#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lm1 s GLY 2 N 0.00 1.41 0.25 0.00 0.00 -0.46 -4.90 107.32 103.62 1lm1 s GLY 2 Ca 0.00 -0.99 0.04 0.00 0.00 0.00 0.00 44.72 43.77 1lm1 s GLY 2 CO 0.00 -0.18 0.01 -1.34 0.00 0.00 0.00 173.10 171.59 1lm1 s VAL 3 N 0.51 1.06 0.00 1.40 -7.23 -1.26 0.17 120.40 115.05 1lm1 s VAL 3 Ca -0.13 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 1lm1 s VAL 3 Cb -0.17 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1lm1 s VAL 3 CO 0.05 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 1lm1 n GLY 4 N -0.48 0.18 3.15 2.32 0.00 -0.91 -1.30 105.19 108.15 1lm1 n GLY 4 Ca -0.04 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 1lm1 n GLY 4 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1lm1 s PHE 5 N -2.00 0.83 -0.02 1.61 -0.12 -0.44 -1.94 117.98 115.89 1lm1 s PHE 5 Ca 0.00 -0.91 0.04 0.00 -0.05 0.00 0.00 56.93 56.02 1lm1 s PHE 5 Cb 0.00 -0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 41.89 1lm1 s PHE 5 CO 0.00 -0.18 -0.15 0.42 -0.05 0.00 0.00 175.22 175.26 1lm1 s ILE 6 N -3.52 1.24 0.01 -4.49 1.01 -0.09 -1.40 121.20 113.96 1lm1 s ILE 6 Ca 0.10 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.14 1lm1 s ILE 6 Cb 0.05 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 1lm1 s ILE 6 CO -0.05 0.36 -0.13 0.00 0.00 0.00 0.00 174.94 175.11 1lm1 s ALA 7 N -0.18 1.08 -0.17 9.38 0.00 -0.97 -1.91 121.76 128.99 1lm1 s ALA 7 Ca 0.02 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1lm1 s ALA 7 Cb -0.08 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1lm1 s ALA 7 CO 0.00 0.23 -0.20 -0.80 0.00 0.00 0.00 175.76 174.99 1lm1 s ASN 8 N -0.71 3.14 -0.25 0.00 -0.87 0.62 -2.69 114.94 114.18 1lm1 s ASN 8 Ca 0.03 -0.64 -0.09 0.00 -1.57 0.00 0.00 52.86 50.59 1lm1 s ASN 8 Cb -0.06 -1.48 -0.12 0.00 -0.02 0.00 0.00 41.25 39.56 1lm1 s ASN 8 CO 0.00 0.01 -0.30 0.18 -2.57 0.00 0.00 177.10 174.43 1lm1 n LEU 9 N 4.54 2.14 -2.58 0.60 4.77 -1.26 -4.63 117.00 120.58 1lm1 n LEU 9 Ca -0.21 0.19 -0.33 0.00 -0.03 0.00 0.00 56.01 55.63 1lm1 n LEU 9 Cb 0.50 -0.78 0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1lm1 n LEU 9 CO 0.26 0.64 1.50 -1.14 -1.33 0.00 0.00 177.39 177.32 1lm1 n ARG 10 N -3.88 2.56 -3.72 3.23 0.00 -1.26 -4.81 116.66 108.77 1lm1 n ARG 10 Ca -0.48 -3.00 -0.09 0.00 -0.00 0.00 0.00 57.85 54.28 1lm1 n ARG 10 Cb 0.89 -2.18 -0.02 0.00 0.00 0.00 0.00 32.46 31.15 1lm1 n ARG 10 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1lm1 s GLY 11 N -0.81 -0.24 0.32 5.14 0.00 -1.26 -5.13 107.32 105.35 1lm1 s GLY 11 Ca 0.54 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 45.22 1lm1 s GLY 11 CO -0.23 -0.04 0.48 0.54 0.00 0.00 0.00 173.10 173.85 1lm1 s LYS 12 N -3.87 3.35 0.12 2.90 -0.14 -1.26 -5.02 119.74 115.83 1lm1 s LYS 12 Ca 0.08 -0.62 -0.34 0.00 -1.36 0.00 0.00 55.97 53.73 1lm1 s LYS 12 Cb -0.04 -2.76 -0.17 0.00 -1.68 0.00 0.00 37.83 33.18 1lm1 s LYS 12 CO 0.00 0.18 1.07 -2.30 -0.76 0.00 0.00 175.35 173.55 1lm1 n PRO 13 N -1.67 0.71 -4.59 -1.68 -0.02 -1.26 -5.00 135.00 121.49 1lm1 n PRO 13 Ca -0.05 0.25 -0.28 0.00 -2.02 0.00 0.00 63.50 61.41 1lm1 n PRO 13 Cb 0.57 -1.70 -0.08 0.00 -0.02 0.00 0.00 33.50 32.27 1lm1 n PRO 13 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1lm1 s ASP 14 N -0.08 3.23 0.04 2.55 3.84 -1.26 -4.78 116.67 120.21 1lm1 s ASP 14 Ca 0.78 -1.67 0.19 0.00 -0.00 0.00 0.00 52.55 51.84 1lm1 s ASP 14 Cb -0.98 0.52 -0.16 0.00 -1.38 0.00 0.00 42.92 40.91 1lm1 s ASP 14 CO 0.53 -0.91 0.70 1.57 -0.00 0.00 0.00 175.17 177.06 1lm1 n HIS 15 N -1.03 0.67 -0.35 2.11 -0.00 -1.25 -2.31 115.22 113.07 1lm1 n HIS 15 Ca -0.10 0.22 -0.03 0.00 -0.00 0.00 0.00 57.72 57.81 1lm1 n HIS 15 Cb 0.66 -0.94 0.10 0.00 -0.00 0.00 0.00 29.99 29.80 1lm1 n HIS 15 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 1lm1 h THR 16 N 0.00 1.26 -0.06 3.57 2.02 -1.95 0.11 112.91 117.86 1lm1 h THR 16 Ca -0.15 -0.57 0.04 0.00 0.77 0.00 0.00 66.41 66.50 1lm1 h THR 16 Cb 1.45 -0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.74 1lm1 h THR 16 CO 0.03 0.27 -0.34 0.25 0.37 0.00 0.00 175.52 176.10 1lm1 h LEU 17 N 1.30 -1.03 -0.46 2.58 7.12 -1.87 0.26 115.31 123.19 1lm1 h LEU 17 Ca 0.34 0.14 0.09 0.00 0.13 0.00 0.00 57.88 58.57 1lm1 h LEU 17 Cb -0.05 0.42 -0.07 0.00 -0.53 0.00 0.00 40.66 40.43 1lm1 h LEU 17 CO -0.06 -0.39 0.01 0.58 -0.13 0.00 0.00 178.44 178.45 1lm1 h VAL 18 N -0.46 0.65 -1.01 1.05 2.07 -1.33 0.52 116.25 117.74 1lm1 h VAL 18 Ca 0.07 -0.04 0.25 0.00 0.82 0.00 0.00 66.70 67.80 1lm1 h VAL 18 Cb 0.57 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.77 1lm1 h VAL 18 CO -0.31 0.02 0.65 -0.33 0.02 0.00 0.00 177.57 177.62 1lm1 h GLU 19 N 0.12 0.40 0.00 1.57 5.08 0.12 -0.85 114.58 121.03 1lm1 h GLU 19 Ca 0.23 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.42 1lm1 h GLU 19 Cb 0.34 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1lm1 h GLU 19 CO -0.38 0.26 -0.75 1.96 -1.00 0.00 0.00 179.01 179.11 1lm1 h GLN 20 N 0.41 0.00 0.00 2.33 4.20 0.32 -2.66 115.11 119.71 1lm1 h GLN 20 Ca 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.27 1lm1 h GLN 20 Cb 1.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.19 1lm1 h GLN 20 CO -0.27 0.64 -0.08 0.00 -0.67 0.00 0.00 178.83 178.45 1lm1 h ALA 21 N 1.33 0.01 -0.94 3.87 0.00 0.22 -2.75 119.26 120.99 1lm1 h ALA 21 Ca -0.02 -0.22 0.23 0.00 0.00 0.00 0.00 54.91 54.90 1lm1 h ALA 21 Cb 1.53 0.07 -0.17 0.00 0.00 0.00 0.00 17.79 19.21 1lm1 h ALA 21 CO 0.08 0.06 -0.04 -0.07 0.00 0.00 0.00 179.25 179.29 1lm1 h LEU 22 N -1.00 -0.55 -1.00 0.00 3.38 -1.37 0.49 115.31 115.26 1lm1 h LEU 22 Ca -0.01 0.27 0.10 0.00 0.09 0.00 0.00 57.88 58.32 1lm1 h LEU 22 Cb 0.36 0.49 -0.08 0.00 0.09 0.00 0.00 40.66 41.52 1lm1 h LEU 22 CO -0.01 -0.31 0.63 0.50 0.09 0.00 0.00 178.44 179.34 1lm1 h LYS 23 N 0.03 1.03 -0.05 1.13 1.63 -1.43 -2.08 116.57 116.81 1lm1 h LYS 23 Ca 0.53 -0.06 -0.21 0.00 -0.85 0.00 0.00 60.65 60.06 1lm1 h LYS 23 Cb 1.02 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1lm1 h LYS 23 CO -0.89 0.68 -0.85 0.00 -3.45 0.00 0.00 179.45 174.93 1lm1 h ALA 24 N 1.51 0.42 -0.63 5.00 0.00 -0.61 -2.02 119.26 122.93 1lm1 h ALA 24 Ca 0.47 -0.66 0.11 0.00 0.00 0.00 0.00 54.91 54.83 1lm1 h ALA 24 Cb 0.37 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1lm1 h ALA 24 CO -0.23 0.77 0.21 -0.07 0.00 0.00 0.00 179.25 179.93 1lm1 h LEU 25 N 0.30 0.16 -0.54 0.00 3.38 -0.81 0.20 115.31 118.01 1lm1 h LEU 25 Ca -0.06 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1lm1 h LEU 25 Cb 1.47 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 42.24 1lm1 h LEU 25 CO 0.15 0.09 0.17 1.23 0.09 0.00 0.00 178.44 180.17 1lm1 h GLY 26 N 0.37 0.71 1.86 0.83 0.00 -1.06 -0.04 103.07 105.73 1lm1 h GLY 26 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1lm1 h GLY 26 CO -0.35 -0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.15 1lm1 n MET 28 N -1.43 1.71 -0.34 0.00 2.00 0.12 -4.70 117.12 114.48 1lm1 n MET 28 Ca 0.07 -1.04 0.10 0.00 0.00 0.00 0.00 57.70 56.83 1lm1 n MET 28 Cb 0.22 -1.45 0.28 0.00 0.00 0.00 0.00 33.22 32.28 1lm1 n MET 28 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1lm1 h GLU 29 N 2.34 0.74 0.00 0.03 4.57 -1.18 0.12 114.58 121.20 1lm1 h GLU 29 Ca 0.00 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1lm1 h GLU 29 Cb 0.50 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1lm1 h GLU 29 CO 0.00 0.49 -0.24 1.12 -1.18 0.00 0.00 179.01 179.21 1lm1 h HIS 30 N 0.76 0.00 0.00 0.92 2.07 -1.85 -2.53 115.15 114.52 1lm1 h HIS 30 Ca 0.53 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.05 1lm1 h HIS 30 Cb 0.76 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.74 1lm1 h HIS 30 CO -0.03 0.24 0.00 0.54 -3.07 0.00 0.00 177.93 175.61 1lm1 n ARG 31 N -3.49 0.85 -3.09 5.12 1.74 0.42 -4.87 116.66 113.33 1lm1 n ARG 31 Ca -0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1lm1 n ARG 31 Cb 0.40 -1.04 -0.03 0.00 -1.02 0.00 0.00 32.46 30.77 1lm1 n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lm1 n GLY 32 N 0.32 3.64 3.22 -0.13 0.00 -0.95 -0.68 105.19 110.60 1lm1 n GLY 32 Ca 0.00 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 1lm1 n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lm1 s GLY 33 N -2.14 1.30 0.30 -0.02 0.00 -1.01 -4.86 107.32 100.89 1lm1 s GLY 33 Ca 0.13 -1.60 0.02 0.00 0.00 0.00 0.00 44.72 43.26 1lm1 s GLY 33 CO 0.09 -1.34 0.08 0.00 0.00 0.00 0.00 173.10 171.93 1lm1 n SER 35 N -1.60 3.28 -0.34 0.00 7.64 -0.65 -4.77 113.62 117.18 1lm1 n SER 35 Ca -0.06 -3.18 -0.01 0.00 1.01 0.00 0.00 58.87 56.63 1lm1 n SER 35 Cb 0.43 0.26 0.04 0.00 -1.01 0.00 0.00 64.21 63.93 1lm1 n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lm1 n ALA 36 N -1.47 -0.11 0.00 -0.43 0.00 -1.24 0.29 120.51 117.54 1lm1 n ALA 36 Ca -0.21 0.88 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1lm1 n ALA 36 Cb 0.65 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1lm1 n ALA 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1lm1 n ASP 37 N -5.29 0.00 -2.48 0.00 8.00 -1.26 -4.84 116.55 110.68 1lm1 n ASP 37 Ca 0.09 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.43 1lm1 n ASP 37 Cb 0.35 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.45 1lm1 n ASP 37 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1lm1 n ASN 38 N -2.95 -4.63 0.00 -2.24 3.02 0.82 -4.77 115.26 104.51 1lm1 n ASN 38 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1lm1 n ASN 38 Cb 0.00 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.28 1lm1 n ASN 38 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1lm1 n ASP 39 N -1.91 0.00 -4.78 6.41 -0.08 -1.26 -4.91 116.55 110.01 1lm1 n ASP 39 Ca -0.17 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.73 1lm1 n ASP 39 Cb 0.63 0.05 -0.06 0.00 2.34 0.00 0.00 41.12 44.09 1lm1 n ASP 39 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1lm1 s SER 40 N -3.70 7.16 0.16 1.67 0.01 -1.26 -4.29 113.70 113.46 1lm1 s SER 40 Ca 0.00 1.94 -0.02 0.00 1.31 0.00 0.00 55.95 59.18 1lm1 s SER 40 Cb 0.00 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 1lm1 s SER 40 CO 0.00 -0.20 0.36 -0.83 0.41 0.00 0.00 173.24 172.98 1lm1 s GLY 41 N -1.53 2.00 0.00 3.44 0.00 -1.24 -1.64 107.32 108.35 1lm1 s GLY 41 Ca 0.52 -0.74 0.11 0.00 0.00 0.00 0.00 44.72 44.60 1lm1 s GLY 41 CO 0.26 -0.69 1.27 1.22 0.00 0.00 0.00 173.10 175.17 1lm1 n ASP 42 N -0.27 0.00 0.00 1.64 9.92 -0.63 -4.13 116.55 123.08 1lm1 n ASP 42 Ca -0.04 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 1lm1 n ASP 42 Cb 0.53 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 1lm1 n ASP 42 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lm1 n GLY 43 N -0.37 4.34 3.00 0.44 0.00 -1.25 -4.59 105.19 106.76 1lm1 n GLY 43 Ca 0.04 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 1lm1 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 s ALA 44 N -1.50 0.06 0.06 4.61 0.00 0.11 0.19 121.76 125.29 1lm1 s ALA 44 Ca 0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 1lm1 s ALA 44 Cb 0.00 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.31 1lm1 s ALA 44 CO 0.00 -0.17 0.44 0.20 0.00 0.00 0.00 175.76 176.23 1lm1 s GLY 45 N -1.48 -0.32 -0.11 0.00 0.00 -0.94 -0.29 107.32 104.18 1lm1 s GLY 45 Ca -0.15 0.33 -0.07 0.00 0.00 0.00 0.00 44.72 44.82 1lm1 s GLY 45 CO -0.01 0.06 0.27 0.54 0.00 0.00 0.00 173.10 173.96 1lm1 s VAL 46 N -2.69 -0.02 -0.18 1.40 0.11 0.12 -2.23 120.40 116.90 1lm1 s VAL 46 Ca -0.04 0.08 -0.06 0.00 -2.93 0.00 0.00 61.98 59.02 1lm1 s VAL 46 Cb -0.00 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1lm1 s VAL 46 CO -0.04 0.03 0.04 -0.32 -3.33 0.00 0.00 175.10 171.48 1lm1 s MET 47 N 0.77 3.87 0.25 1.54 1.75 0.15 0.04 119.30 127.67 1lm1 s MET 47 Ca -0.05 -0.40 0.01 0.00 -1.25 0.00 0.00 55.69 54.00 1lm1 s MET 47 Cb -0.06 -3.14 -0.05 0.00 2.84 0.00 0.00 34.83 34.41 1lm1 s MET 47 CO -0.05 0.23 0.10 0.95 -0.65 0.00 0.00 175.02 175.60 1lm1 s THR 48 N 0.46 0.51 1.07 10.11 -4.23 -0.55 -0.64 115.64 122.37 1lm1 s THR 48 Ca 0.01 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.40 1lm1 s THR 48 Cb -0.13 -2.60 0.23 0.00 1.34 0.00 0.00 72.50 71.34 1lm1 s THR 48 CO 0.01 -0.02 1.06 0.00 -0.54 0.00 0.00 174.62 175.14 1lm1 s ALA 49 N -3.79 0.30 0.04 3.99 0.00 -1.26 0.29 121.76 121.32 1lm1 s ALA 49 Ca 0.37 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 1lm1 s ALA 49 Cb 0.08 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 1lm1 s ALA 49 CO 0.13 -3.31 1.47 0.42 0.00 0.00 0.00 175.76 174.47 1lm1 s ILE 50 N -2.69 3.45 -1.53 0.00 1.01 -1.19 -4.57 121.20 115.68 1lm1 s ILE 50 Ca 0.67 0.89 -0.12 0.00 0.00 0.00 0.00 60.65 62.09 1lm1 s ILE 50 Cb -0.22 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1lm1 s ILE 50 CO 0.61 0.01 2.55 -0.81 0.00 0.00 0.00 174.94 177.30 1lm1 n PRO 51 N 5.26 3.22 0.26 2.79 -0.04 -1.26 -4.68 135.00 140.55 1lm1 n PRO 51 Ca 0.14 -2.43 0.12 0.00 -0.04 0.00 0.00 63.50 61.29 1lm1 n PRO 51 Cb 0.42 -3.08 0.78 0.00 -0.04 0.00 0.00 33.50 31.59 1lm1 n PRO 51 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1lm1 h ARG 52 N 5.57 0.00 0.40 0.54 0.11 -1.87 0.44 114.38 119.57 1lm1 h ARG 52 Ca 0.70 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.76 1lm1 h ARG 52 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1lm1 h ARG 52 CO 1.85 0.00 -0.20 1.49 0.10 0.00 0.00 179.97 183.20 1lm1 h GLU 53 N 0.00 -0.53 -0.96 0.08 4.81 -1.83 -3.02 114.58 113.13 1lm1 h GLU 53 Ca 0.02 0.04 0.20 0.00 -0.13 0.00 0.00 59.36 59.48 1lm1 h GLU 53 Cb 0.08 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 29.47 1lm1 h GLU 53 CO -0.00 -0.36 0.54 1.25 -0.73 0.00 0.00 179.01 179.71 1lm1 h LEU 54 N -0.55 0.64 -0.30 1.64 5.85 0.04 1.10 115.31 123.72 1lm1 h LEU 54 Ca -0.05 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1lm1 h LEU 54 Cb 0.43 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1lm1 h LEU 54 CO 0.08 0.18 0.00 0.18 -0.34 0.00 0.00 178.44 178.54 1lm1 n LEU 55 N -4.86 0.21 -0.02 2.25 4.77 -0.75 -2.90 117.00 115.70 1lm1 n LEU 55 Ca 0.23 0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 56.64 1lm1 n LEU 55 Cb 0.61 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1lm1 n LEU 55 CO 0.19 -0.44 0.55 0.00 -1.33 0.00 0.00 177.39 176.36 1lm1 h ALA 56 N 2.30 -0.68 -0.41 -1.18 0.00 0.14 -1.74 119.26 117.69 1lm1 h ALA 56 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1lm1 h ALA 56 Cb 0.20 0.88 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1lm1 h ALA 56 CO 0.00 -0.98 0.29 1.96 0.00 0.00 0.00 179.25 180.52 1lm1 h GLN 57 N -0.51 0.02 0.09 0.00 4.20 -1.68 0.54 115.11 117.76 1lm1 h GLN 57 Ca 0.07 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1lm1 h GLN 57 Cb 0.64 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 1lm1 h GLN 57 CO -0.44 0.01 -0.19 2.35 -0.67 0.00 0.00 178.83 179.89 1lm1 h TRP 58 N 0.02 -0.51 0.03 2.96 7.01 -1.50 -1.34 115.95 122.62 1lm1 h TRP 58 Ca 0.19 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.20 1lm1 h TRP 58 Cb 0.75 0.21 0.00 0.00 -2.10 0.00 0.00 29.16 28.02 1lm1 h TRP 58 CO -0.00 -0.28 -0.01 0.74 -2.79 0.00 0.00 178.44 176.09 1lm1 h PHE 59 N -0.36 -0.04 -0.66 2.65 -1.00 -0.90 -2.76 116.94 113.87 1lm1 h PHE 59 Ca 0.03 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.87 1lm1 h PHE 59 Cb 0.39 0.01 -0.08 0.00 3.61 0.00 0.00 35.95 39.88 1lm1 h PHE 59 CO -0.20 0.45 -0.39 -1.71 -1.61 0.00 0.00 178.31 174.85 1lm1 n ASN 60 N -4.87 -0.70 -0.18 2.17 5.15 -0.46 0.32 115.26 116.69 1lm1 n ASN 60 Ca -0.09 1.50 0.12 0.00 -0.60 0.00 0.00 54.58 55.51 1lm1 n ASN 60 Cb 0.26 -0.31 0.43 0.00 -0.53 0.00 0.00 39.78 39.63 1lm1 n ASN 60 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1lm1 h THR 61 N 0.00 0.88 -0.23 -0.44 2.02 -1.19 1.45 112.91 115.39 1lm1 h THR 61 Ca 0.11 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1lm1 h THR 61 Cb 0.27 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1lm1 h THR 61 CO -0.62 0.10 0.00 0.54 0.37 0.00 0.00 175.52 175.91 1lm1 n ARG 62 N -4.50 1.78 -3.10 6.66 1.74 0.44 -4.88 116.66 114.80 1lm1 n ARG 62 Ca 0.13 -1.19 -0.22 0.00 -0.77 0.00 0.00 57.85 55.80 1lm1 n ARG 62 Cb 0.41 -1.36 0.02 0.00 -1.02 0.00 0.00 32.46 30.51 1lm1 n ARG 62 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1lm1 n ASN 63 N 0.42 -5.36 -4.70 0.55 5.15 0.50 -4.97 115.26 106.86 1lm1 n ASN 63 Ca 0.15 -0.30 -0.35 0.00 -0.60 0.00 0.00 54.58 53.48 1lm1 n ASN 63 Cb 0.33 -4.36 -0.09 0.00 -0.53 0.00 0.00 39.78 35.13 1lm1 n ASN 63 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1lm1 s LEU 64 N -6.60 3.65 0.05 1.20 2.96 -0.05 -5.00 118.68 114.89 1lm1 s LEU 64 Ca 0.32 0.16 -0.31 0.00 -0.22 0.00 0.00 54.13 54.09 1lm1 s LEU 64 Cb -0.15 -1.86 -0.07 0.00 0.50 0.00 0.00 46.19 44.61 1lm1 s LEU 64 CO 0.40 0.37 1.44 -2.16 -1.32 0.00 0.00 176.35 175.09 1lm1 s PRO 65 N -0.96 4.28 0.05 0.98 0.04 -1.26 -4.26 135.00 133.87 1lm1 s PRO 65 Ca 0.14 2.07 -0.30 0.00 0.04 0.00 0.00 61.00 62.95 1lm1 s PRO 65 Cb -0.11 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 1lm1 s PRO 65 CO 0.03 -0.56 0.99 1.41 0.04 0.00 0.00 177.00 178.91 1lm1 s MET 66 N 2.02 4.61 0.70 4.56 1.75 -1.26 -5.04 119.30 126.64 1lm1 s MET 66 Ca 0.66 1.47 -0.11 0.00 -1.25 0.00 0.00 55.69 56.46 1lm1 s MET 66 Cb -0.35 -3.41 0.01 0.00 2.84 0.00 0.00 34.83 33.92 1lm1 s MET 66 CO 0.29 0.04 1.07 -2.14 -0.65 0.00 0.00 175.02 173.63 1lm1 s PRO 67 N 0.57 2.87 0.55 4.11 0.02 -1.26 -5.01 135.00 136.85 1lm1 s PRO 67 Ca 0.50 0.72 -0.19 0.00 0.02 0.00 0.00 61.00 62.05 1lm1 s PRO 67 Cb -0.23 -2.00 -0.07 0.00 0.02 0.00 0.00 34.50 32.22 1lm1 s PRO 67 CO 0.29 -1.09 0.83 -0.25 -0.33 0.00 0.00 177.00 176.45 1lm1 n ASP 68 N -3.09 0.26 -0.15 2.53 9.92 -1.26 -4.62 116.55 120.14 1lm1 n ASP 68 Ca 0.07 0.83 -0.04 0.00 -0.53 0.00 0.00 54.79 55.12 1lm1 n ASP 68 Cb 0.55 -1.31 -0.03 0.00 -0.64 0.00 0.00 41.12 39.69 1lm1 n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lm1 n GLY 69 N 1.43 -2.61 0.05 0.44 0.00 -1.26 0.57 105.19 103.81 1lm1 n GLY 69 Ca 0.12 0.73 0.02 0.00 0.00 0.00 0.00 46.02 46.90 1lm1 n GLY 69 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lm1 n ASP 70 N -3.76 0.10 0.00 1.61 9.92 -1.26 -3.03 116.55 120.12 1lm1 n ASP 70 Ca 0.01 0.38 0.00 0.00 -0.53 0.00 0.00 54.79 54.65 1lm1 n ASP 70 Cb 0.09 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 1lm1 n ASP 70 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1lm1 n ARG 71 N -1.52 1.95 0.00 -1.24 0.63 0.19 -1.90 116.66 114.77 1lm1 n ARG 71 Ca -0.00 -0.24 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 1lm1 n ARG 71 Cb 0.23 -0.70 0.00 0.00 0.45 0.00 0.00 32.46 32.43 1lm1 n ARG 71 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1lm1 n LEU 72 N -0.35 0.00 -0.13 6.15 7.94 -0.84 -4.33 117.00 125.45 1lm1 n LEU 72 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1lm1 n LEU 72 Cb 0.03 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1lm1 n LEU 72 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1lm1 n GLY 73 N 3.00 -2.47 2.79 -3.96 0.00 -1.26 -4.32 105.19 98.97 1lm1 n GLY 73 Ca 0.00 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 1lm1 n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lm1 s VAL 74 N -0.56 0.13 -0.21 1.61 1.01 0.34 -2.28 120.40 120.44 1lm1 s VAL 74 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 1lm1 s VAL 74 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 1lm1 s VAL 74 CO 0.00 0.15 0.35 -0.83 0.00 0.00 0.00 175.10 174.78 1lm1 s GLY 75 N 1.29 2.07 -0.50 4.51 0.00 0.12 -1.87 107.32 112.94 1lm1 s GLY 75 Ca -0.06 -0.59 -0.25 0.00 0.00 0.00 0.00 44.72 43.82 1lm1 s GLY 75 CO -0.02 0.73 0.93 1.06 0.00 0.00 0.00 173.10 175.79 1lm1 s MET 76 N 1.25 3.44 -0.07 2.90 -1.94 0.03 -0.61 119.30 124.30 1lm1 s MET 76 Ca 0.17 -0.02 -0.00 0.00 -1.71 0.00 0.00 55.69 54.12 1lm1 s MET 76 Cb -0.14 -3.98 -0.03 0.00 2.01 0.00 0.00 34.83 32.68 1lm1 s MET 76 CO 0.07 -1.33 -0.03 0.08 -0.01 0.00 0.00 175.02 173.80 1lm1 s VAL 77 N 3.83 3.99 -0.15 -6.03 1.01 -0.41 -0.14 120.40 122.50 1lm1 s VAL 77 Ca 0.34 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 1lm1 s VAL 77 Cb -0.11 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1lm1 s VAL 77 CO 0.23 0.58 0.43 -0.36 0.00 0.00 0.00 175.10 175.98 1lm1 s PHE 78 N -0.87 3.47 0.11 5.22 2.99 -0.43 -2.03 117.98 126.44 1lm1 s PHE 78 Ca 0.13 0.78 0.03 0.00 0.00 0.00 0.00 56.93 57.88 1lm1 s PHE 78 Cb -0.11 -2.52 -0.04 0.00 0.00 0.00 0.00 43.02 40.35 1lm1 s PHE 78 CO 0.03 0.13 -0.09 -0.51 -0.00 0.00 0.00 175.22 174.77 1lm1 s LEU 79 N 0.81 2.47 0.63 -0.37 1.43 0.32 -1.95 118.68 122.02 1lm1 s LEU 79 Ca 0.23 -0.92 -0.18 0.00 -1.03 0.00 0.00 54.13 52.23 1lm1 s LEU 79 Cb -0.15 -0.26 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 1lm1 s LEU 79 CO 0.09 -0.33 1.25 -2.84 0.23 0.00 0.00 176.35 174.74 1lm1 s PRO 80 N -3.33 2.68 0.10 1.29 0.02 -0.74 -0.39 135.00 134.63 1lm1 s PRO 80 Ca 0.10 1.93 -0.02 0.00 0.02 0.00 0.00 61.00 63.04 1lm1 s PRO 80 Cb 0.01 -1.88 -0.21 0.00 0.02 0.00 0.00 34.50 32.44 1lm1 s PRO 80 CO -0.01 -1.47 1.21 1.96 -0.33 0.00 0.00 177.00 178.37 1lm1 h GLN 81 N 0.59 0.24 -6.30 5.54 1.08 -1.89 -3.37 115.11 111.01 1lm1 h GLN 81 Ca -0.50 -0.37 -0.54 0.00 -1.45 0.00 0.00 58.65 55.79 1lm1 h GLN 81 Cb 1.32 0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.87 1lm1 h GLN 81 CO 0.54 1.14 1.09 -2.00 -0.95 0.00 0.00 178.83 178.64 1lm1 s GLU 82 N -2.82 4.18 0.20 1.46 -6.30 -1.26 -4.85 118.70 109.31 1lm1 s GLU 82 Ca -0.03 2.25 -0.14 0.00 -2.50 0.00 0.00 54.97 54.55 1lm1 s GLU 82 Cb 0.08 -3.96 0.21 0.00 0.00 0.00 0.00 34.13 30.46 1lm1 s GLU 82 CO 0.87 -0.84 1.64 -1.35 0.02 0.00 0.00 175.26 175.59 1lm1 h PRO 83 N 9.50 0.01 -0.52 4.30 0.11 -1.99 0.23 132.00 143.64 1lm1 h PRO 83 Ca -0.41 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.71 1lm1 h PRO 83 Cb 1.19 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1lm1 h PRO 83 CO 0.95 0.01 0.34 0.66 -0.21 0.00 0.00 178.00 179.74 1lm1 h SER 84 N 0.01 0.57 0.31 -2.05 4.64 -1.97 -2.55 113.55 112.50 1lm1 h SER 84 Ca 0.28 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.48 1lm1 h SER 84 Cb 0.43 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1lm1 h SER 84 CO -0.59 0.41 -0.45 0.00 -0.87 0.00 0.00 176.83 175.33 1lm1 h ALA 85 N 1.21 1.09 -0.45 5.18 0.00 -1.73 -2.29 119.26 122.27 1lm1 h ALA 85 Ca 0.20 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1lm1 h ALA 85 Cb -0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1lm1 h ALA 85 CO -0.06 0.61 0.27 -0.09 0.00 0.00 0.00 179.25 179.98 1lm1 h ARG 86 N 0.15 0.53 -0.11 0.00 2.43 -0.16 -1.88 114.38 115.34 1lm1 h ARG 86 Ca 0.01 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1lm1 h ARG 86 Cb 0.87 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1lm1 h ARG 86 CO 0.07 0.35 -0.05 0.93 -1.51 0.00 0.00 179.97 179.76 1lm1 h GLU 87 N 0.55 0.23 -0.96 0.20 4.39 -1.24 0.30 114.58 118.04 1lm1 h GLU 87 Ca 0.18 -0.10 0.17 0.00 0.34 0.00 0.00 59.36 59.95 1lm1 h GLU 87 Cb 0.00 -0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 28.48 1lm1 h GLU 87 CO -0.08 0.58 -0.29 0.28 -1.16 0.00 0.00 179.01 178.33 1lm1 n VAL 88 N -4.71 -0.44 -0.13 3.13 0.31 -0.88 -0.48 118.33 115.12 1lm1 n VAL 88 Ca -0.06 2.21 -0.08 0.00 -0.01 0.00 0.00 64.34 66.40 1lm1 n VAL 88 Cb 0.27 -3.00 0.08 0.00 -0.91 0.00 0.00 33.84 30.28 1lm1 n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lm1 h ALA 89 N 1.67 0.88 -0.30 3.52 0.00 -0.79 -2.46 119.26 121.78 1lm1 h ALA 89 Ca 0.41 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1lm1 h ALA 89 Cb 0.65 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1lm1 h ALA 89 CO -0.97 0.64 -0.28 -0.09 0.00 0.00 0.00 179.25 178.55 1lm1 h ARG 90 N 0.79 0.72 -0.48 0.00 2.43 0.65 -2.07 114.38 116.41 1lm1 h ARG 90 Ca 0.13 -0.38 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 1lm1 h ARG 90 Cb 0.65 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1lm1 h ARG 90 CO 0.05 0.99 0.11 0.00 -1.51 0.00 0.00 179.97 179.61 1lm1 h ALA 91 N 0.72 1.30 -0.32 2.80 0.00 -0.74 -2.19 119.26 120.83 1lm1 h ALA 91 Ca 0.05 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1lm1 h ALA 91 Cb 0.85 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1lm1 h ALA 91 CO 0.07 0.50 -0.14 -0.92 0.00 0.00 0.00 179.25 178.76 1lm1 h TYR 92 N 0.71 0.75 -0.42 0.00 3.20 -1.34 0.44 116.97 120.30 1lm1 h TYR 92 Ca 0.16 -0.18 0.07 0.00 3.14 0.00 0.00 58.73 61.92 1lm1 h TYR 92 Cb 0.27 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 1lm1 h TYR 92 CO 0.01 0.86 0.04 0.28 -1.64 0.00 0.00 178.16 177.72 1lm1 h VAL 93 N 0.41 0.73 -0.14 1.81 2.07 -0.77 -1.84 116.25 118.52 1lm1 h VAL 93 Ca 0.07 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1lm1 h VAL 93 Cb 0.66 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1lm1 h VAL 93 CO 0.04 0.03 0.04 -0.33 0.02 0.00 0.00 177.57 177.37 1lm1 h GLU 94 N 0.16 0.22 -0.70 1.57 5.08 -1.37 0.13 114.58 119.69 1lm1 h GLU 94 Ca 0.21 -0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.65 1lm1 h GLU 94 Cb 0.28 -0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.37 1lm1 h GLU 94 CO -0.31 0.37 -0.22 1.49 -1.00 0.00 0.00 179.01 179.34 1lm1 h GLU 95 N 0.04 -0.03 0.00 2.33 4.81 0.23 0.53 114.58 122.49 1lm1 h GLU 95 Ca 0.05 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 1lm1 h GLU 95 Cb 0.24 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1lm1 h GLU 95 CO -0.00 -0.02 -0.55 -0.39 -0.73 0.00 0.00 179.01 177.32 1lm1 h VAL 96 N -0.04 0.59 -0.25 0.32 -1.51 -0.91 -2.54 116.25 111.92 1lm1 h VAL 96 Ca 0.32 -1.87 -0.17 0.00 -1.23 0.00 0.00 66.70 63.76 1lm1 h VAL 96 Cb 0.53 2.23 -0.00 0.00 -2.13 0.00 0.00 31.29 31.92 1lm1 h VAL 96 CO -0.73 0.34 -0.52 0.58 -1.23 0.00 0.00 177.57 176.00 1lm1 h VAL 97 N 0.00 1.30 0.00 7.19 2.07 0.25 -2.34 116.25 124.71 1lm1 h VAL 97 Ca -0.02 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 1lm1 h VAL 97 Cb 1.31 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1lm1 h VAL 97 CO 0.05 0.55 -0.08 -0.09 0.02 0.00 0.00 177.57 178.02 1lm1 h ARG 98 N 0.55 0.00 0.00 1.57 2.43 0.12 -3.18 114.38 115.87 1lm1 h ARG 98 Ca 0.02 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 1lm1 h ARG 98 Cb 1.09 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1lm1 h ARG 98 CO 0.11 0.08 -0.61 -0.07 -1.51 0.00 0.00 179.97 177.97 1lm1 h LEU 99 N 0.00 0.00-10.34 3.80 -0.00 -0.98 -3.38 115.31 104.41 1lm1 h LEU 99 Ca -0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.37 1lm1 h LEU 99 Cb 0.18 0.00 0.06 0.00 -0.00 0.00 0.00 40.66 40.90 1lm1 h LEU 99 CO 0.01 0.61 0.41 -1.61 -0.00 0.00 0.00 178.44 177.86 1lm1 s GLU 100 N -3.30 3.58 -0.21 1.13 0.41 -1.20 -4.96 118.70 114.15 1lm1 s GLU 100 Ca 0.01 0.80 -0.05 0.00 -0.41 0.00 0.00 54.97 55.32 1lm1 s GLU 100 Cb 0.11 -2.08 -0.09 0.00 -1.78 0.00 0.00 34.13 30.29 1lm1 s GLU 100 CO 0.75 -0.58 3.11 1.63 -0.49 0.00 0.00 175.26 179.67 1lm1 n LYS 101 N -2.64 2.11 -3.82 1.61 5.02 -1.26 -4.86 118.16 114.31 1lm1 n LYS 101 Ca 0.06 -1.54 -0.26 0.00 -2.02 0.00 0.00 58.31 54.56 1lm1 n LYS 101 Cb 0.54 -1.99 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1lm1 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1lm1 s LEU 102 N -1.00 4.28 0.10 -0.35 1.43 -1.24 -4.40 118.68 117.49 1lm1 s LEU 102 Ca 0.58 0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.99 1lm1 s LEU 102 Cb 0.33 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1lm1 s LEU 102 CO -0.09 -0.01 0.04 -0.89 0.23 0.00 0.00 176.35 175.63 1lm1 s THR 103 N -1.84 4.26 -0.21 5.49 2.01 0.17 -4.31 115.64 121.20 1lm1 s THR 103 Ca 0.36 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 1lm1 s THR 103 Cb -0.11 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1lm1 s THR 103 CO 0.29 0.09 0.10 -0.69 -0.69 0.00 0.00 174.62 173.72 1lm1 s VAL 104 N -1.40 5.01 -0.86 3.82 1.01 -1.26 -1.41 120.40 125.31 1lm1 s VAL 104 Ca 0.28 0.05 0.23 0.00 0.00 0.00 0.00 61.98 62.54 1lm1 s VAL 104 Cb -0.12 -3.30 -0.14 0.00 0.00 0.00 0.00 36.38 32.83 1lm1 s VAL 104 CO 0.20 0.41 1.06 0.18 0.00 0.00 0.00 175.10 176.95 1lm1 n LEU 105 N 3.90 0.72 0.00 3.92 4.77 -0.38 -5.00 117.00 124.93 1lm1 n LEU 105 Ca -0.16 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1lm1 n LEU 105 Cb 0.52 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1lm1 n LEU 105 CO 0.35 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1lm1 n GLY 106 N 1.46 0.43 3.16 -0.72 0.00 -1.18 -4.98 105.19 103.35 1lm1 n GLY 106 Ca 0.04 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 1lm1 n GLY 106 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1lm1 s TRP 107 N -2.17 -0.25 -0.21 1.61 0.52 -1.26 -1.27 118.94 115.91 1lm1 s TRP 107 Ca 0.00 0.58 -0.01 0.00 0.02 0.00 0.00 56.10 56.70 1lm1 s TRP 107 Cb 0.00 0.09 0.02 0.00 -1.15 0.00 0.00 33.47 32.42 1lm1 s TRP 107 CO 0.00 -0.19 -0.13 0.50 0.02 0.00 0.00 176.95 177.15 1lm1 s ARG 108 N -0.21 3.01 0.27 4.98 3.52 0.18 -4.97 118.95 125.72 1lm1 s ARG 108 Ca -0.03 -0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 54.43 1lm1 s ARG 108 Cb -0.03 -2.77 -0.10 0.00 -1.56 0.00 0.00 34.95 30.49 1lm1 s ARG 108 CO 0.01 -0.26 1.44 -1.21 -0.81 0.00 0.00 175.30 174.46 1lm1 s GLU 109 N 1.33 4.26 -0.42 5.12 2.02 -1.26 -0.28 118.70 129.47 1lm1 s GLU 109 Ca 0.03 2.32 -0.18 0.00 0.02 0.00 0.00 54.97 57.17 1lm1 s GLU 109 Cb -0.14 -3.09 0.02 0.00 0.10 0.00 0.00 34.13 31.01 1lm1 s GLU 109 CO -0.09 -0.41 0.49 0.08 0.02 0.00 0.00 175.26 175.35 1lm1 s VAL 110 N -0.19 5.02 0.05 2.63 1.01 -1.07 -4.90 120.40 122.95 1lm1 s VAL 110 Ca 0.58 -0.19 -0.35 0.00 0.00 0.00 0.00 61.98 62.01 1lm1 s VAL 110 Cb -0.42 -4.07 -0.14 0.00 0.00 0.00 0.00 36.38 31.75 1lm1 s VAL 110 CO 0.46 -0.44 1.60 -2.65 0.00 0.00 0.00 175.10 174.06 1lm1 n PRO 111 N 5.76 1.81 -3.80 2.72 -0.02 -1.26 -4.94 135.00 135.27 1lm1 n PRO 111 Ca -0.06 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 61.98 1lm1 n PRO 111 Cb 0.48 -2.40 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 1lm1 n PRO 111 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1lm1 s VAL 112 N 1.73 0.12 -0.40 -1.45 -7.23 -1.26 -2.07 120.40 109.84 1lm1 s VAL 112 Ca 0.85 -0.98 0.02 0.00 -1.81 0.00 0.00 61.98 60.06 1lm1 s VAL 112 Cb -0.79 -1.21 0.12 0.00 0.56 0.00 0.00 36.38 35.06 1lm1 s VAL 112 CO 0.46 -0.54 0.17 0.21 -0.31 0.00 0.00 175.10 175.09 1lm1 s ASN 113 N -2.68 4.03 0.51 4.85 2.47 -0.43 -4.96 114.94 118.74 1lm1 s ASN 113 Ca 0.02 -2.34 0.27 0.00 0.42 0.00 0.00 52.86 51.24 1lm1 s ASN 113 Cb 0.03 -1.17 1.38 0.00 -1.45 0.00 0.00 41.25 40.03 1lm1 s ASN 113 CO -0.10 -0.32 2.04 0.28 -3.72 0.00 0.00 177.10 175.28 1lm1 h SER 114 N 7.21 0.00 0.00 -4.21 0.02 -1.92 -2.94 113.55 111.71 1lm1 h SER 114 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1lm1 h SER 114 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1lm1 h SER 114 CO 0.51 0.13 0.46 -0.78 -1.14 0.00 0.00 176.83 176.02 1lm1 h ASP 115 N 0.00 0.00 0.00 3.07 1.82 -1.97 -1.45 116.42 117.90 1lm1 h ASP 115 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1lm1 h ASP 115 Cb 0.40 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1lm1 h ASP 115 CO 0.02 0.00 -1.09 1.33 -1.61 0.00 0.00 179.24 177.89 1lm1 n VAL 116 N -2.53 0.00 -1.72 2.25 0.24 -1.11 -4.93 118.33 110.53 1lm1 n VAL 116 Ca -0.01 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.34 61.73 1lm1 n VAL 116 Cb 0.49 0.79 0.01 0.00 -1.47 0.00 0.00 33.84 33.66 1lm1 n VAL 116 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1lm1 n LEU 117 N -1.60 4.36 -4.70 1.34 4.77 -0.55 -4.99 117.00 115.63 1lm1 n LEU 117 Ca 0.02 1.12 -0.30 0.00 -0.03 0.00 0.00 56.01 56.82 1lm1 n LEU 117 Cb 0.33 -1.53 0.14 0.00 -2.33 0.00 0.00 43.42 40.03 1lm1 n LEU 117 CO 0.38 -0.46 0.66 -0.83 -1.33 0.00 0.00 177.39 175.81 1lm1 s GLY 118 N -0.49 1.64 0.21 -0.72 0.00 -1.26 -4.73 107.32 101.97 1lm1 s GLY 118 Ca 0.60 0.12 -0.09 0.00 0.00 0.00 0.00 44.72 45.36 1lm1 s GLY 118 CO 0.58 0.59 1.77 1.19 0.00 0.00 0.00 173.10 177.23 1lm1 h ILE 119 N -1.60 0.85 -0.16 0.90 2.10 -1.95 0.54 117.51 118.19 1lm1 h ILE 119 Ca -0.48 -0.17 -0.01 0.00 1.08 0.00 0.00 64.86 65.28 1lm1 h ILE 119 Cb 1.27 0.29 -0.01 0.00 -1.09 0.00 0.00 36.82 37.29 1lm1 h ILE 119 CO 0.51 0.09 0.07 1.56 -1.08 0.00 0.00 178.15 179.30 1lm1 h GLN 120 N 0.51 0.23 -0.97 2.19 4.20 -1.99 -1.68 115.11 117.60 1lm1 h GLN 120 Ca 0.30 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.98 1lm1 h GLN 120 Cb 0.31 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 1lm1 h GLN 120 CO -0.25 0.31 0.64 0.00 -0.67 0.00 0.00 178.83 178.85 1lm1 h ALA 121 N 0.92 1.23 -0.10 3.87 0.00 -1.78 -2.55 119.26 120.84 1lm1 h ALA 121 Ca 0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1lm1 h ALA 121 Cb 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1lm1 h ALA 121 CO -0.01 0.63 -0.29 -0.22 0.00 0.00 0.00 179.25 179.36 1lm1 h LYS 122 N 1.32 0.17 0.00 0.00 3.64 -0.70 0.22 116.57 121.22 1lm1 h LYS 122 Ca 0.35 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1lm1 h LYS 122 Cb -0.15 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1lm1 h LYS 122 CO -0.08 0.45 0.00 0.09 -2.27 0.00 0.00 179.45 177.65 1lm1 n ASN 123 N -4.14 0.00 0.00 4.20 3.02 -0.65 -3.23 115.26 114.46 1lm1 n ASN 123 Ca -0.01 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1lm1 n ASN 123 Cb 0.37 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 1lm1 n ASN 123 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1lm1 n ASN 124 N -0.94 0.00 -4.56 6.41 5.15 -1.14 -5.04 115.26 115.13 1lm1 n ASN 124 Ca 0.15 0.00 -0.63 0.00 -0.60 0.00 0.00 54.58 53.50 1lm1 n ASN 124 Cb 0.07 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.22 1lm1 n ASN 124 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1lm1 n GLN 125 N -0.18 0.20 -0.87 1.20 7.27 0.78 -4.84 117.38 120.93 1lm1 n GLN 125 Ca 0.00 0.07 -0.28 0.00 0.07 0.00 0.00 57.00 56.86 1lm1 n GLN 125 Cb 0.00 -1.63 0.22 0.00 2.41 0.00 0.00 30.24 31.24 1lm1 n GLN 125 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1lm1 s PRO 126 N 4.27 -0.32 -0.06 3.69 0.04 -1.26 -4.82 135.00 136.55 1lm1 s PRO 126 Ca 1.10 0.63 -0.18 0.00 0.04 0.00 0.00 61.00 62.59 1lm1 s PRO 126 Cb -1.41 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.44 1lm1 s PRO 126 CO 0.73 -3.26 0.49 -1.58 0.04 0.00 0.00 177.00 173.41 1lm1 s HIS 127 N -2.73 3.61 -0.18 0.56 2.46 0.48 -4.86 115.29 114.63 1lm1 s HIS 127 Ca 0.67 0.99 -0.00 0.00 0.47 0.00 0.00 55.06 57.19 1lm1 s HIS 127 Cb -0.22 -2.50 0.01 0.00 -0.13 0.00 0.00 32.58 29.74 1lm1 s HIS 127 CO 0.61 0.34 -0.16 0.42 -2.47 0.00 0.00 174.74 173.48 1lm1 s ILE 128 N -0.02 2.50 -0.01 0.89 1.01 -1.26 0.12 121.20 124.43 1lm1 s ILE 128 Ca 0.26 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1lm1 s ILE 128 Cb -0.16 -2.07 -0.00 0.00 0.01 0.00 0.00 42.46 40.24 1lm1 s ILE 128 CO 0.13 0.51 0.03 -1.61 0.00 0.00 0.00 174.94 174.00 1lm1 s GLU 129 N 1.15 0.11 -0.18 2.79 2.02 -0.86 -2.60 118.70 121.13 1lm1 s GLU 129 Ca 0.01 -0.08 -0.10 0.00 0.02 0.00 0.00 54.97 54.83 1lm1 s GLU 129 Cb -0.14 0.05 -0.05 0.00 0.10 0.00 0.00 34.13 34.09 1lm1 s GLU 129 CO -0.06 -0.02 0.15 -0.65 0.02 0.00 0.00 175.26 174.70 1lm1 s GLN 130 N -0.29 4.05 -0.14 1.61 -0.21 0.61 -1.29 119.66 123.99 1lm1 s GLN 130 Ca -0.03 -0.16 -0.07 0.00 0.02 0.00 0.00 55.36 55.12 1lm1 s GLN 130 Cb -0.02 -3.37 -0.04 0.00 1.00 0.00 0.00 33.01 30.57 1lm1 s GLN 130 CO -0.00 0.39 0.10 -1.50 -2.12 0.00 0.00 175.29 172.16 1lm1 s ILE 131 N 0.09 5.12 -0.12 1.08 2.07 0.22 0.47 121.20 130.12 1lm1 s ILE 131 Ca 0.10 0.07 -0.04 0.00 -1.41 0.00 0.00 60.65 59.38 1lm1 s ILE 131 Cb -0.11 -3.26 -0.03 0.00 0.13 0.00 0.00 42.46 39.18 1lm1 s ILE 131 CO -0.00 0.55 0.02 -0.76 -1.91 0.00 0.00 174.94 172.84 1lm1 s LEU 132 N -0.44 3.67 0.16 8.50 1.43 -0.40 -0.71 118.68 130.89 1lm1 s LEU 132 Ca 0.11 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 1lm1 s LEU 132 Cb -0.12 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1lm1 s LEU 132 CO 0.02 0.30 -0.00 -0.69 0.23 0.00 0.00 176.35 176.20 1lm1 s VAL 133 N -0.38 0.61 0.16 -1.59 1.01 -0.97 -1.25 120.40 117.99 1lm1 s VAL 133 Ca 0.08 -1.96 -0.18 0.00 0.00 0.00 0.00 61.98 59.91 1lm1 s VAL 133 Cb -0.12 -2.05 0.04 0.00 0.00 0.00 0.00 36.38 34.25 1lm1 s VAL 133 CO 0.02 -0.53 0.49 0.42 0.00 0.00 0.00 175.10 175.50 1lm1 s THR 134 N -3.70 0.04 -0.30 3.92 -4.23 -0.50 -4.41 115.64 106.46 1lm1 s THR 134 Ca 0.22 -0.52 -0.07 0.00 -1.18 0.00 0.00 61.69 60.14 1lm1 s THR 134 Cb 0.06 -1.28 0.01 0.00 1.34 0.00 0.00 72.50 72.63 1lm1 s THR 134 CO 0.03 -0.18 0.09 0.00 -0.54 0.00 0.00 174.62 174.02 1lm1 h PRO 136 N 8.25 0.59 0.00 0.00 0.11 -1.95 0.09 132.00 139.09 1lm1 h PRO 136 Ca -0.31 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 1lm1 h PRO 136 Cb 1.13 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1lm1 h PRO 136 CO 0.61 0.39 -0.02 0.93 -0.21 0.00 0.00 178.00 179.69 1lm1 h GLU 137 N 0.60 0.00 0.00 1.05 5.08 -1.93 -3.45 114.58 115.94 1lm1 h GLU 137 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1lm1 h GLU 137 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1lm1 h GLU 137 CO -0.06 0.02 0.00 0.41 -1.00 0.00 0.00 179.01 178.38 1lm1 n GLY 138 N -0.94 1.22 3.29 -3.84 0.00 0.02 -5.09 105.19 99.85 1lm1 n GLY 138 Ca -0.02 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1lm1 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 s ALA 140 N -2.18 -1.79 0.00 0.00 0.00 -1.26 -4.68 121.76 111.86 1lm1 s ALA 140 Ca 0.53 0.60 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1lm1 s ALA 140 Cb -0.24 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1lm1 s ALA 140 CO 0.71 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1lm1 n GLY 141 N -0.36 0.00 0.17 0.00 0.00 -0.80 -1.22 105.19 102.98 1lm1 n GLY 141 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1lm1 n GLY 141 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1lm1 h ASP 142 N 0.00 -0.37 -0.97 1.61 3.32 -1.99 0.13 116.42 118.15 1lm1 h ASP 142 Ca 0.00 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1lm1 h ASP 142 Cb 0.00 0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 1lm1 h ASP 142 CO 0.00 -0.16 0.64 -0.08 -1.72 0.00 0.00 179.24 177.92 1lm1 h GLU 143 N -0.16 1.22 -0.25 3.56 4.57 -1.58 -1.61 114.58 120.32 1lm1 h GLU 143 Ca 0.07 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 1lm1 h GLU 143 Cb 0.26 -0.28 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1lm1 h GLU 143 CO -0.18 0.81 -0.37 1.25 -1.18 0.00 0.00 179.01 179.34 1lm1 h LEU 144 N 1.26 0.76 -0.25 1.64 5.85 -0.10 0.32 115.31 124.79 1lm1 h LEU 144 Ca 0.38 -0.51 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1lm1 h LEU 144 Cb -0.05 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1lm1 h LEU 144 CO -0.10 1.13 -0.00 0.44 -0.34 0.00 0.00 178.44 179.56 1lm1 h ASP 145 N 0.42 0.45 -0.77 1.25 3.32 -1.26 0.19 116.42 120.01 1lm1 h ASP 145 Ca 0.02 -0.31 0.15 0.00 0.02 0.00 0.00 57.03 56.91 1lm1 h ASP 145 Cb 0.96 -0.12 -0.10 0.00 0.22 0.00 0.00 39.33 40.29 1lm1 h ASP 145 CO 0.09 0.65 0.30 -0.09 -1.72 0.00 0.00 179.24 178.46 1lm1 h ARG 146 N 0.23 0.41 0.18 3.56 1.12 -1.22 2.86 114.38 121.51 1lm1 h ARG 146 Ca 0.07 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.91 1lm1 h ARG 146 Cb 0.42 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.29 1lm1 h ARG 146 CO 0.01 0.27 -0.09 0.00 -3.11 0.00 0.00 179.97 177.06 1lm1 h ARG 147 N 0.42 -0.23 -0.23 0.20 2.47 -0.69 -1.80 114.38 114.51 1lm1 h ARG 147 Ca 0.43 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 59.23 1lm1 h ARG 147 Cb 0.69 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.05 1lm1 h ARG 147 CO -0.43 0.11 0.21 -0.07 0.56 0.00 0.00 179.97 180.35 1lm1 h LEU 148 N -0.61 0.00 -0.01 3.04 4.07 0.41 0.21 115.31 122.42 1lm1 h LEU 148 Ca -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 1lm1 h LEU 148 Cb 0.45 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 1lm1 h LEU 148 CO 0.04 0.00 0.00 0.22 -1.08 0.00 0.00 178.44 177.62 1lm1 h TYR 149 N 0.00 0.01 -0.78 1.13 3.20 0.57 -0.61 116.97 120.49 1lm1 h TYR 149 Ca 0.11 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.04 1lm1 h TYR 149 Cb 0.53 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.74 1lm1 h TYR 149 CO 0.00 0.31 0.46 0.82 -1.64 0.00 0.00 178.16 178.11 1lm1 h ILE 150 N -0.29 0.99 -0.19 1.81 2.04 -0.16 -2.50 117.51 119.21 1lm1 h ILE 150 Ca 0.00 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1lm1 h ILE 150 Cb 0.31 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1lm1 h ILE 150 CO 0.00 0.15 0.10 0.00 0.00 0.00 0.00 178.15 178.40 1lm1 h ALA 151 N 1.39 0.24 -0.01 1.87 0.00 -0.31 -2.39 119.26 120.06 1lm1 h ALA 151 Ca 0.35 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1lm1 h ALA 151 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1lm1 h ALA 151 CO -0.19 -0.21 -0.40 0.07 0.00 0.00 0.00 179.25 178.51 1lm1 h ARG 152 N 0.19 0.01 -0.57 0.00 0.11 -0.88 -1.38 114.38 111.86 1lm1 h ARG 152 Ca 0.07 -0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.03 1lm1 h ARG 152 Cb 0.09 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.15 1lm1 h ARG 152 CO -0.01 0.41 -0.06 1.03 0.10 0.00 0.00 179.97 181.44 1lm1 h SER 153 N 0.01 1.03 0.40 0.08 0.87 -1.31 0.20 113.55 114.83 1lm1 h SER 153 Ca -0.00 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.22 1lm1 h SER 153 Cb 0.72 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1lm1 h SER 153 CO 0.05 1.12 -0.19 0.40 -0.53 0.00 0.00 176.83 177.68 1lm1 h ILE 154 N 0.94 0.60 -0.87 2.23 2.04 -0.90 -2.40 117.51 119.14 1lm1 h ILE 154 Ca 0.15 -0.27 0.22 0.00 1.00 0.00 0.00 64.86 65.96 1lm1 h ILE 154 Cb 0.63 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1lm1 h ILE 154 CO 0.04 0.05 0.60 0.40 0.00 0.00 0.00 178.15 179.24 1lm1 h ILE 155 N -0.70 0.62 0.00 -0.67 2.04 -1.20 0.26 117.51 117.88 1lm1 h ILE 155 Ca -0.05 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1lm1 h ILE 155 Cb 0.50 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1lm1 h ILE 155 CO 0.09 0.04 -0.14 1.23 0.00 0.00 0.00 178.15 179.37 1lm1 h GLY 156 N 0.21 0.00 1.93 5.37 0.00 -0.11 -2.45 103.07 108.03 1lm1 h GLY 156 Ca 0.44 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.78 1lm1 h GLY 156 CO -0.10 0.00 0.03 0.50 0.00 0.00 0.00 176.54 176.97 1lm1 h LYS 157 N 0.00 0.00 -0.87 4.80 1.79 -0.13 -1.02 116.57 121.14 1lm1 h LYS 157 Ca -0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.11 1lm1 h LYS 157 Cb 0.31 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 30.75 1lm1 h LYS 157 CO 0.02 0.00 0.45 1.63 -1.08 0.00 0.00 179.45 180.47 1lm1 n LYS 158 N -4.18 3.05 -1.87 3.15 5.02 -0.92 -5.03 118.16 117.38 1lm1 n LYS 158 Ca -0.02 -3.02 -0.41 0.00 -2.02 0.00 0.00 58.31 52.84 1lm1 n LYS 158 Cb 0.12 -2.19 -0.01 0.00 -0.02 0.00 0.00 35.03 32.92 1lm1 n LYS 158 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1lm1 s LEU 159 N -3.09 4.35 0.18 -0.35 2.96 -0.39 -4.90 118.68 117.44 1lm1 s LEU 159 Ca 0.56 2.89 -0.06 0.00 -0.22 0.00 0.00 54.13 57.30 1lm1 s LEU 159 Cb 0.45 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.48 1lm1 s LEU 159 CO 0.12 -0.82 0.22 0.00 -1.32 0.00 0.00 176.35 174.56 1lm1 s ALA 160 N -0.44 0.47 -0.13 5.97 0.00 -0.74 -4.97 121.76 121.92 1lm1 s ALA 160 Ca 0.58 -1.24 0.27 0.00 0.00 0.00 0.00 51.96 51.57 1lm1 s ALA 160 Cb -0.45 1.04 1.32 0.00 0.00 0.00 0.00 23.12 25.03 1lm1 s ALA 160 CO 0.52 -0.63 1.81 1.05 0.00 0.00 0.00 175.76 178.51 1lm1 h GLU 161 N 2.59 0.00 0.00 0.00 4.11 -2.00 -2.42 114.58 116.85 1lm1 h GLU 161 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1lm1 h GLU 161 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1lm1 h GLU 161 CO 0.50 0.00 -0.69 -3.47 0.07 0.00 0.00 179.01 175.42 1lm1 n ASP 162 N -2.46 0.69 -3.29 3.06 -0.08 -1.26 -4.62 116.55 108.60 1lm1 n ASP 162 Ca -0.00 -0.81 -0.08 0.00 -1.51 0.00 0.00 54.79 52.39 1lm1 n ASP 162 Cb 0.13 1.02 -0.05 0.00 2.34 0.00 0.00 41.12 44.56 1lm1 n ASP 162 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1lm1 s PHE 163 N -2.34 -1.04 -0.23 -0.67 5.36 -0.91 -1.80 117.98 116.36 1lm1 s PHE 163 Ca 0.05 0.05 -0.12 0.00 -0.96 0.00 0.00 56.93 55.95 1lm1 s PHE 163 Cb 0.11 -0.08 0.07 0.00 -0.34 0.00 0.00 43.02 42.77 1lm1 s PHE 163 CO 0.57 -1.03 0.55 -0.47 -1.46 0.00 0.00 175.22 173.38 1lm1 s TYR 164 N 2.11 -0.86 -0.21 10.12 5.04 -0.83 -1.80 117.35 130.93 1lm1 s TYR 164 Ca 0.13 1.74 -0.22 0.00 -2.44 0.00 0.00 57.07 56.27 1lm1 s TYR 164 Cb -0.11 0.46 -0.02 0.00 0.35 0.00 0.00 41.96 42.64 1lm1 s TYR 164 CO -0.17 -0.45 0.71 0.08 -1.34 0.00 0.00 175.55 174.37 1lm1 s VAL 165 N 1.65 4.95 0.13 3.14 1.01 -1.26 -1.32 120.40 128.70 1lm1 s VAL 165 Ca -0.09 1.34 0.10 0.00 0.00 0.00 0.00 61.98 63.33 1lm1 s VAL 165 Cb -0.07 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 1lm1 s VAL 165 CO -0.16 0.05 1.42 0.00 0.00 0.00 0.00 175.10 176.41 1lm1 n SER 167 N -3.46 0.00 -3.15 0.00 3.41 -1.24 -4.15 113.62 105.03 1lm1 n SER 167 Ca -0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1lm1 n SER 167 Cb 0.79 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.72 1lm1 n SER 167 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1lm1 s PHE 168 N -1.47 -1.28 0.05 7.33 5.36 -1.24 -0.79 117.98 125.94 1lm1 s PHE 168 Ca 0.00 -0.28 -0.06 0.00 -0.96 0.00 0.00 56.93 55.63 1lm1 s PHE 168 Cb 0.00 0.11 -0.01 0.00 -0.34 0.00 0.00 43.02 42.78 1lm1 s PHE 168 CO 0.00 -1.14 0.10 0.45 -1.46 0.00 0.00 175.22 173.17 1lm1 s SER 169 N 1.45 0.21 -0.02 6.13 0.15 -0.78 -4.60 113.70 116.24 1lm1 s SER 169 Ca 0.20 -0.62 0.08 0.00 0.70 0.00 0.00 55.95 56.31 1lm1 s SER 169 Cb -0.05 0.25 0.26 0.00 -1.71 0.00 0.00 66.02 64.77 1lm1 s SER 169 CO -0.06 -0.57 1.16 0.00 1.20 0.00 0.00 173.24 174.97 1lm1 n ARG 171 N 0.31 0.00 -4.32 0.00 1.74 -1.26 -4.45 116.66 108.68 1lm1 n ARG 171 Ca 0.10 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.93 1lm1 n ARG 171 Cb 0.31 -0.43 -0.13 0.00 -1.02 0.00 0.00 32.46 31.19 1lm1 n ARG 171 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1lm1 s THR 172 N -1.52 1.74 0.04 0.55 -1.32 -1.26 -3.16 115.64 110.70 1lm1 s THR 172 Ca 0.00 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 58.96 1lm1 s THR 172 Cb 0.00 -1.57 -0.03 0.00 -1.51 0.00 0.00 72.50 69.39 1lm1 s THR 172 CO 0.00 -0.03 -0.04 -0.51 -2.21 0.00 0.00 174.62 171.83 1lm1 s ILE 173 N -1.13 0.29 -0.18 5.08 2.07 0.15 -3.96 121.20 123.52 1lm1 s ILE 173 Ca 0.07 -1.23 0.01 0.00 -1.41 0.00 0.00 60.65 58.09 1lm1 s ILE 173 Cb -0.10 -0.73 0.03 0.00 0.13 0.00 0.00 42.46 41.79 1lm1 s ILE 173 CO 0.04 -0.61 -0.17 -0.69 -1.91 0.00 0.00 174.94 171.60 1lm1 s VAL 174 N -2.13 1.93 -0.30 4.00 1.01 -1.26 -1.48 120.40 122.16 1lm1 s VAL 174 Ca -0.07 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 1lm1 s VAL 174 Cb -0.05 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1lm1 s VAL 174 CO -0.03 0.44 0.14 -0.31 0.00 0.00 0.00 175.10 175.34 1lm1 s TYR 175 N 1.33 3.17 0.09 5.22 1.51 0.11 -4.85 117.35 123.92 1lm1 s TYR 175 Ca 0.03 -0.55 -0.12 0.00 -1.01 0.00 0.00 57.07 55.43 1lm1 s TYR 175 Cb -0.14 -2.33 0.01 0.00 -0.11 0.00 0.00 41.96 39.39 1lm1 s TYR 175 CO -0.11 -0.44 0.28 -1.59 -1.11 0.00 0.00 175.55 172.58 1lm1 s LYS 176 N 1.61 0.90 0.00 -0.62 -2.85 -1.26 0.11 119.74 117.63 1lm1 s LYS 176 Ca 0.05 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.25 1lm1 s LYS 176 Cb -0.17 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 1lm1 s LYS 176 CO 0.06 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 175.61 1lm1 n GLY 177 N 0.07 -1.14 2.66 0.59 0.00 0.61 -4.98 105.19 102.99 1lm1 n GLY 177 Ca -0.16 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1lm1 n GLY 177 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1lm1 n MET 178 N 0.00 3.89 -4.41 1.61 2.81 -1.26 -0.71 117.12 119.05 1lm1 n MET 178 Ca 0.00 -3.26 -0.21 0.00 -1.81 0.00 0.00 57.70 52.41 1lm1 n MET 178 Cb 0.00 -2.85 -0.10 0.00 -0.71 0.00 0.00 33.22 29.56 1lm1 n MET 178 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1lm1 s VAL 179 N 0.34 2.11 0.47 2.03 -7.23 -1.26 -3.63 120.40 113.23 1lm1 s VAL 179 Ca 0.49 -2.31 -0.22 0.00 -1.81 0.00 0.00 61.98 58.13 1lm1 s VAL 179 Cb 0.14 -2.18 -0.08 0.00 0.56 0.00 0.00 36.38 34.83 1lm1 s VAL 179 CO -0.05 -0.49 1.11 -0.60 -0.31 0.00 0.00 175.10 174.76 1lm1 s ARG 180 N -3.58 3.75 0.13 4.82 3.52 -1.26 -3.32 118.95 123.01 1lm1 s ARG 180 Ca 0.26 1.62 -0.32 0.00 -0.13 0.00 0.00 55.73 57.16 1lm1 s ARG 180 Cb -0.03 -2.29 -0.09 0.00 -1.56 0.00 0.00 34.95 30.98 1lm1 s ARG 180 CO 0.11 -0.52 1.55 0.66 -0.81 0.00 0.00 175.30 176.29 1lm1 h SER 181 N 1.86 -1.77 0.25 -2.12 4.64 -1.89 0.14 113.55 114.66 1lm1 h SER 181 Ca -0.49 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1lm1 h SER 181 Cb 1.24 0.73 0.00 0.00 -0.31 0.00 0.00 62.40 64.06 1lm1 h SER 181 CO 0.60 -0.41 0.00 2.30 -0.87 0.00 0.00 176.83 178.45 1lm1 n ILE 182 N -5.39 1.14 0.49 0.95 -5.35 -1.26 -1.87 119.36 108.07 1lm1 n ILE 182 Ca -0.03 0.29 0.13 0.00 -0.27 0.00 0.00 62.75 62.86 1lm1 n ILE 182 Cb 0.35 -1.13 0.28 0.00 -1.74 0.00 0.00 39.64 37.40 1lm1 n ILE 182 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1lm1 h ILE 183 N 0.00 0.00 -0.79 7.28 5.03 -1.08 -3.38 117.51 124.57 1lm1 h ILE 183 Ca 0.00 -0.64 0.18 0.00 -0.12 0.00 0.00 64.86 64.28 1lm1 h ILE 183 Cb 0.13 1.54 -0.12 0.00 -3.03 0.00 0.00 36.82 35.34 1lm1 h ILE 183 CO 0.00 0.00 0.21 0.25 -0.68 0.00 0.00 178.15 177.93 1lm1 h LEU 184 N 0.00 0.03 -0.92 1.44 5.85 -1.39 0.80 115.31 121.11 1lm1 h LEU 184 Ca 0.00 0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1lm1 h LEU 184 Cb 0.82 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1lm1 h LEU 184 CO 0.00 -0.07 -0.34 1.23 -0.34 0.00 0.00 178.44 178.92 1lm1 h GLY 185 N 0.26 0.00 2.00 3.75 0.00 -1.80 -2.15 103.07 105.13 1lm1 h GLY 185 Ca 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.70 1lm1 h GLY 185 CO -0.56 0.00 -0.46 0.83 0.00 0.00 0.00 176.54 176.35 1lm1 h GLU 186 N 0.00 0.00 0.00 4.80 4.39 0.36 -3.32 114.58 120.81 1lm1 h GLU 186 Ca -0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1lm1 h GLU 186 Cb 0.89 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1lm1 h GLU 186 CO 0.04 0.47 -0.11 0.35 -1.16 0.00 0.00 179.01 178.60 1lm1 h PHE 187 N 0.00 0.00 -3.24 4.33 3.57 -1.11 -3.40 116.94 117.09 1lm1 h PHE 187 Ca -0.00 0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.92 1lm1 h PHE 187 Cb 0.82 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.50 1lm1 h PHE 187 CO 0.00 0.00 0.53 0.71 -2.23 0.00 0.00 178.31 177.32 1lm1 s TYR 188 N -1.66 3.39 -0.10 0.41 1.51 -0.82 -1.32 117.35 118.75 1lm1 s TYR 188 Ca -0.03 1.32 0.16 0.00 -1.01 0.00 0.00 57.07 57.50 1lm1 s TYR 188 Cb 0.00 -3.11 -0.16 0.00 -0.11 0.00 0.00 41.96 38.59 1lm1 s TYR 188 CO 0.05 -0.33 0.79 1.28 -1.11 0.00 0.00 175.55 176.22 1lm1 n LEU 189 N 5.65 0.87 -0.28 -1.29 4.77 -0.88 -3.22 117.00 122.62 1lm1 n LEU 189 Ca 0.07 0.39 0.27 0.00 -0.03 0.00 0.00 56.01 56.71 1lm1 n LEU 189 Cb 0.48 0.10 0.50 0.00 -2.33 0.00 0.00 43.42 42.17 1lm1 n LEU 189 CO 0.49 0.21 0.91 0.47 -1.33 0.00 0.00 177.39 178.14 1lm1 n ASP 190 N -2.93 0.29 0.03 -1.43 8.00 -1.26 -0.25 116.55 119.00 1lm1 n ASP 190 Ca -0.11 1.44 0.12 0.00 0.71 0.00 0.00 54.79 56.94 1lm1 n ASP 190 Cb 0.89 -0.69 0.50 0.00 -0.02 0.00 0.00 41.12 41.80 1lm1 n ASP 190 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1lm1 n LEU 191 N -4.96 0.22 -0.26 0.64 4.32 -1.20 -1.97 117.00 113.79 1lm1 n LEU 191 Ca 0.32 0.53 0.09 0.00 -0.02 0.00 0.00 56.01 56.93 1lm1 n LEU 191 Cb 1.10 -0.47 -0.04 0.00 -1.62 0.00 0.00 43.42 42.39 1lm1 n LEU 191 CO 0.01 -0.14 0.16 0.29 -1.22 0.00 0.00 177.39 176.48 1lm1 n LYS 192 N -1.72 1.35 -2.14 3.23 5.02 0.65 -4.78 118.16 119.78 1lm1 n LYS 192 Ca 0.06 -0.55 -0.42 0.00 -2.02 0.00 0.00 58.31 55.37 1lm1 n LYS 192 Cb 0.31 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1lm1 n LYS 192 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1lm1 s ASN 193 N -2.35 6.76 0.14 4.39 3.84 -0.75 -4.92 114.94 122.05 1lm1 s ASN 193 Ca 0.12 2.07 0.11 0.00 0.21 0.00 0.00 52.86 55.37 1lm1 s ASN 193 Cb 0.14 -2.54 0.57 0.00 -0.55 0.00 0.00 41.25 38.88 1lm1 s ASN 193 CO 0.57 -0.87 1.34 -2.65 -2.79 0.00 0.00 177.10 172.70 1lm1 n PRO 194 N 6.95 0.07 0.00 0.43 -0.02 -1.26 0.27 135.00 141.44 1lm1 n PRO 194 Ca 0.16 0.53 0.12 0.00 -2.02 0.00 0.00 63.50 62.29 1lm1 n PRO 194 Cb 0.43 -1.70 0.60 0.00 -0.02 0.00 0.00 33.50 32.81 1lm1 n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lm1 n GLY 195 N -1.20 -1.09 3.58 -1.23 0.00 -1.26 -4.59 105.19 99.39 1lm1 n GLY 195 Ca -0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1lm1 n GLY 195 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lm1 s TYR 196 N -2.59 3.06 0.01 1.61 5.04 0.14 -2.76 117.35 121.88 1lm1 s TYR 196 Ca 0.22 0.48 0.01 0.00 -2.44 0.00 0.00 57.07 55.34 1lm1 s TYR 196 Cb 0.16 -3.54 -0.01 0.00 0.35 0.00 0.00 41.96 38.92 1lm1 s TYR 196 CO 0.37 -0.83 -0.03 0.95 -1.34 0.00 0.00 175.55 174.66 1lm1 s THR 197 N 3.24 0.21 -0.02 4.34 -4.23 -1.25 -3.79 115.64 114.13 1lm1 s THR 197 Ca 0.32 -0.58 -0.14 0.00 -1.18 0.00 0.00 61.69 60.11 1lm1 s THR 197 Cb -0.12 -0.27 0.02 0.00 1.34 0.00 0.00 72.50 73.47 1lm1 s THR 197 CO 0.19 -0.24 0.31 -0.55 -0.54 0.00 0.00 174.62 173.79 1lm1 s SER 198 N -0.86 -0.20 0.23 3.99 0.15 -0.98 -4.56 113.70 111.47 1lm1 s SER 198 Ca -0.07 0.13 0.25 0.00 0.70 0.00 0.00 55.95 56.96 1lm1 s SER 198 Cb -0.06 0.34 0.88 0.00 -1.71 0.00 0.00 66.02 65.47 1lm1 s SER 198 CO -0.00 -0.42 1.76 0.59 1.20 0.00 0.00 173.24 176.37 1lm1 n ASN 199 N 1.43 0.76 0.00 5.45 3.02 -1.26 -4.10 115.26 120.56 1lm1 n ASN 199 Ca -0.21 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 1lm1 n ASN 199 Cb 0.56 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1lm1 n ASN 199 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1lm1 n PHE 200 N -2.25 0.00 0.00 3.10 1.16 -1.26 0.23 117.46 118.44 1lm1 n PHE 200 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 1lm1 n PHE 200 Cb 0.36 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.23 1lm1 n PHE 200 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1lm1 n ALA 201 N -3.00 0.00 -3.02 1.98 0.00 -0.80 -4.62 120.51 111.05 1lm1 n ALA 201 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1lm1 n ALA 201 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1lm1 n ALA 201 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1lm1 s VAL 202 N 0.00 4.29 0.21 0.00 1.01 0.18 -0.92 120.40 125.18 1lm1 s VAL 202 Ca 0.00 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 61.89 1lm1 s VAL 202 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1lm1 s VAL 202 CO 0.00 0.38 -0.12 -0.72 0.00 0.00 0.00 175.10 174.64 1lm1 s TYR 203 N 1.23 2.54 -0.14 5.22 -0.85 -0.82 0.31 117.35 124.84 1lm1 s TYR 203 Ca 0.04 -0.26 -0.08 0.00 -0.52 0.00 0.00 57.07 56.25 1lm1 s TYR 203 Cb -0.14 -1.21 0.05 0.00 0.38 0.00 0.00 41.96 41.04 1lm1 s TYR 203 CO 0.03 0.55 0.35 -1.58 -1.52 0.00 0.00 175.55 173.38 1lm1 s HIS 204 N -1.90 -0.49 -0.14 -3.49 2.46 -0.95 -2.14 115.29 108.64 1lm1 s HIS 204 Ca 0.26 1.08 -0.02 0.00 0.47 0.00 0.00 55.06 56.85 1lm1 s HIS 204 Cb -0.08 0.18 -0.02 0.00 -0.13 0.00 0.00 32.58 32.53 1lm1 s HIS 204 CO 0.15 -0.29 -0.07 0.50 -2.47 0.00 0.00 174.74 172.56 1lm1 s ARG 205 N 1.27 3.52 0.10 2.88 6.06 0.13 -2.21 118.95 130.69 1lm1 s ARG 205 Ca -0.09 -0.57 -0.07 0.00 -2.50 0.00 0.00 55.73 52.50 1lm1 s ARG 205 Cb -0.09 -2.80 -0.06 0.00 0.06 0.00 0.00 34.95 32.06 1lm1 s ARG 205 CO -0.10 0.27 0.37 0.50 -2.50 0.00 0.00 175.30 173.84 1lm1 s ARG 206 N 0.26 3.67 -0.20 5.12 3.52 0.13 -1.35 118.95 130.10 1lm1 s ARG 206 Ca -0.05 0.02 -0.01 0.00 -0.13 0.00 0.00 55.73 55.55 1lm1 s ARG 206 Cb -0.14 -2.93 0.06 0.00 -1.56 0.00 0.00 34.95 30.37 1lm1 s ARG 206 CO 0.04 0.52 -0.00 0.12 -0.81 0.00 0.00 175.30 175.17 1lm1 s PHE 207 N -1.51 1.50 0.19 5.12 5.99 -1.26 -2.40 117.98 125.61 1lm1 s PHE 207 Ca 0.36 -1.12 0.05 0.00 0.00 0.00 0.00 56.93 56.22 1lm1 s PHE 207 Cb -0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 43.02 41.64 1lm1 s PHE 207 CO 0.21 -0.65 0.21 -1.54 -0.00 0.00 0.00 175.22 173.45 1lm1 s SER 208 N 1.70 5.79 -0.17 6.13 1.04 -1.26 -4.75 113.70 122.18 1lm1 s SER 208 Ca -0.02 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.42 1lm1 s SER 208 Cb -0.17 -1.58 0.51 0.00 0.10 0.00 0.00 66.02 64.87 1lm1 s SER 208 CO -0.07 0.02 1.34 0.35 0.98 0.00 0.00 173.24 175.87 1lm1 n THR 209 N -0.72 1.87 -3.74 2.02 -2.24 -1.26 -4.78 114.28 105.43 1lm1 n THR 209 Ca -0.08 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 1lm1 n THR 209 Cb 0.56 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1lm1 n THR 209 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1lm1 n ASN 210 N 0.25 0.45 0.00 3.42 0.23 -1.26 -4.10 115.26 114.25 1lm1 n ASN 210 Ca 0.21 -0.74 0.00 0.00 -0.53 0.00 0.00 54.58 53.52 1lm1 n ASN 210 Cb 0.92 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.62 1lm1 n ASN 210 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1lm1 n THR 211 N 0.00 0.00 -3.68 5.53 -1.04 -1.26 -4.81 114.28 109.02 1lm1 n THR 211 Ca 0.00 -0.39 -0.29 0.00 -2.04 0.00 0.00 64.05 61.33 1lm1 n THR 211 Cb 0.00 1.21 -0.13 0.00 -1.82 0.00 0.00 70.33 69.60 1lm1 n THR 211 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1lm1 s MET 212 N -0.03 1.33 0.22 -2.82 -1.94 -1.26 -3.72 119.30 111.08 1lm1 s MET 212 Ca 0.00 -2.12 -0.30 0.00 -1.71 0.00 0.00 55.69 51.56 1lm1 s MET 212 Cb 0.00 -2.29 -0.09 0.00 2.01 0.00 0.00 34.83 34.46 1lm1 s MET 212 CO 0.00 -1.20 1.17 -1.25 -0.01 0.00 0.00 175.02 173.73 1lm1 s PRO 213 N 0.17 4.53 -0.19 2.03 0.04 -1.26 -5.05 135.00 135.27 1lm1 s PRO 213 Ca 0.20 1.87 0.01 0.00 0.04 0.00 0.00 61.00 63.12 1lm1 s PRO 213 Cb -0.19 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 31.17 1lm1 s PRO 213 CO -0.04 -0.00 -0.15 0.15 0.04 0.00 0.00 177.00 177.00 1lm1 s LYS 214 N -0.70 2.45 0.28 4.56 -0.14 -1.26 -4.96 119.74 119.97 1lm1 s LYS 214 Ca 0.50 -0.82 0.02 0.00 -1.36 0.00 0.00 55.97 54.31 1lm1 s LYS 214 Cb -0.33 -2.44 0.70 0.00 -1.68 0.00 0.00 37.83 34.08 1lm1 s LYS 214 CO 0.39 -0.32 1.67 -1.49 -0.76 0.00 0.00 175.35 174.84 1lm1 h TRP 215 N 7.96 0.49 0.00 3.18 4.06 -1.88 0.40 115.95 130.16 1lm1 h TRP 215 Ca -0.36 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.64 1lm1 h TRP 215 Cb 1.11 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 29.20 1lm1 h TRP 215 CO 0.50 -0.12 0.09 -1.35 -3.56 0.00 0.00 178.44 174.00 1lm1 h PRO 216 N 0.30 0.00 0.00 0.49 0.11 -1.90 -2.52 132.00 128.48 1lm1 h PRO 216 Ca 0.54 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.65 1lm1 h PRO 216 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1lm1 h PRO 216 CO -0.58 0.00 -0.61 -0.07 -0.21 0.00 0.00 178.00 176.53 1lm1 h LEU 217 N 0.00 0.00 -9.40 2.35 3.38 -0.59 -3.45 115.31 107.60 1lm1 h LEU 217 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1lm1 h LEU 217 Cb 0.18 0.00 0.23 0.00 0.09 0.00 0.00 40.66 41.16 1lm1 h LEU 217 CO 0.00 0.02 -1.42 0.00 0.09 0.00 0.00 178.44 177.13 1lm1 n ALA 218 N -2.15 -4.33 -2.77 1.53 0.00 -0.95 -4.96 120.51 106.87 1lm1 n ALA 218 Ca 0.01 -0.89 -0.06 0.00 0.00 0.00 0.00 53.44 52.50 1lm1 n ALA 218 Cb 0.55 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.65 1lm1 n ALA 218 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1lm1 n GLN 219 N 0.20 0.63 -3.23 0.00 7.27 -1.26 -4.73 117.38 116.26 1lm1 n GLN 219 Ca 0.01 -1.95 -0.40 0.00 0.07 0.00 0.00 57.00 54.74 1lm1 n GLN 219 Cb 0.60 -1.47 -0.07 0.00 2.41 0.00 0.00 30.24 31.70 1lm1 n GLN 219 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1lm1 s PRO 220 N 0.77 4.10 0.00 3.69 0.02 -1.26 -4.49 135.00 137.83 1lm1 s PRO 220 Ca 0.31 0.36 0.00 0.00 0.02 0.00 0.00 61.00 61.69 1lm1 s PRO 220 Cb 0.09 -3.63 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1lm1 s PRO 220 CO -0.13 -0.31 0.00 -1.33 -0.33 0.00 0.00 177.00 174.90 1lm1 n MET 221 N 5.39 1.23 0.09 5.54 2.81 0.17 -4.85 117.12 127.50 1lm1 n MET 221 Ca -0.04 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.97 1lm1 n MET 221 Cb 0.50 0.00 0.45 0.00 -0.71 0.00 0.00 33.22 33.46 1lm1 n MET 221 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1lm1 n ARG 222 N 0.00 0.17 0.00 0.03 3.00 -1.26 -4.27 116.66 114.33 1lm1 n ARG 222 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 57.85 58.12 1lm1 n ARG 222 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 32.46 30.70 1lm1 n ARG 222 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1lm1 n LEU 223 N -2.06 0.00 -3.85 0.55 7.94 -1.26 -4.94 117.00 113.37 1lm1 n LEU 223 Ca 0.04 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.82 1lm1 n LEU 223 Cb 0.30 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.14 1lm1 n LEU 223 CO 0.23 0.00 -0.19 -1.48 -1.11 0.00 0.00 177.39 174.84 1lm1 s LEU 224 N -1.68 1.53 0.14 -1.96 0.05 -1.26 -1.49 118.68 114.00 1lm1 s LEU 224 Ca 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 54.13 54.17 1lm1 s LEU 224 Cb 0.00 0.58 -0.05 0.00 -2.05 0.00 0.00 46.19 44.68 1lm1 s LEU 224 CO 0.00 -0.23 0.34 -0.83 -0.55 0.00 0.00 176.35 175.08 1lm1 s GLY 225 N -0.74 2.06 -0.08 -3.48 0.00 -0.25 -0.65 107.32 104.17 1lm1 s GLY 225 Ca -0.08 -0.74 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 1lm1 s GLY 225 CO 0.01 -0.69 0.08 -1.58 0.00 0.00 0.00 173.10 170.92 1lm1 s HIS 226 N -1.70 0.06 -0.32 1.90 2.46 -1.26 -1.94 115.29 114.48 1lm1 s HIS 226 Ca 0.38 0.17 -0.07 0.00 0.47 0.00 0.00 55.06 56.01 1lm1 s HIS 226 Cb -0.12 -0.50 0.03 0.00 -0.13 0.00 0.00 32.58 31.85 1lm1 s HIS 226 CO 0.27 -0.27 0.11 1.21 -2.47 0.00 0.00 174.74 173.58 1lm1 s ASN 227 N 2.18 5.28 0.00 9.88 2.47 -0.79 -4.98 114.94 128.98 1lm1 s ASN 227 Ca 0.04 -0.94 0.00 0.00 0.42 0.00 0.00 52.86 52.38 1lm1 s ASN 227 Cb -0.13 -1.89 0.00 0.00 -1.45 0.00 0.00 41.25 37.78 1lm1 s ASN 227 CO -0.05 -0.28 0.00 0.61 -3.72 0.00 0.00 177.10 173.67 1lm1 n GLY 228 N 4.86 -0.51 2.92 1.21 0.00 -1.26 -0.50 105.19 111.91 1lm1 n GLY 228 Ca -0.13 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 1lm1 n GLY 228 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lm1 s GLU 229 N -1.84 0.09 -0.11 1.61 0.41 -0.78 -4.94 118.70 113.14 1lm1 s GLU 229 Ca 0.00 0.39 -0.30 0.00 -0.41 0.00 0.00 54.97 54.66 1lm1 s GLU 229 Cb 0.00 -0.18 -0.02 0.00 -1.78 0.00 0.00 34.13 32.14 1lm1 s GLU 229 CO 0.00 -0.18 1.20 0.42 -0.49 0.00 0.00 175.26 176.21 1lm1 s ILE 230 N 1.26 4.33 -2.40 -1.63 1.09 -1.26 -3.40 121.20 119.19 1lm1 s ILE 230 Ca -0.08 1.63 0.21 0.00 -1.10 0.00 0.00 60.65 61.30 1lm1 s ILE 230 Cb -0.12 -4.05 0.27 0.00 -1.06 0.00 0.00 42.46 37.51 1lm1 s ILE 230 CO -0.06 -0.06 1.24 -0.46 -0.10 0.00 0.00 174.94 175.50 1lm1 n ASN 231 N 5.79 3.00 -1.18 3.58 0.23 -0.41 -4.12 115.26 122.16 1lm1 n ASN 231 Ca 0.12 -1.91 -0.03 0.00 -0.53 0.00 0.00 54.58 52.23 1lm1 n ASN 231 Cb 0.46 -0.11 0.13 0.00 -2.08 0.00 0.00 39.78 38.18 1lm1 n ASN 231 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1lm1 n THR 232 N 1.24 2.08 -0.06 5.53 -2.24 -1.26 -4.94 114.28 114.64 1lm1 n THR 232 Ca 0.15 -3.33 -0.08 0.00 -2.27 0.00 0.00 64.05 58.52 1lm1 n THR 232 Cb 0.54 -0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.42 1lm1 n THR 232 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1lm1 h LEU 233 N 1.41 -0.71 -1.11 3.22 5.85 -1.91 -2.51 115.31 119.54 1lm1 h LEU 233 Ca 0.08 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 1lm1 h LEU 233 Cb 1.24 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 1lm1 h LEU 233 CO 0.24 -0.26 0.06 0.25 -0.34 0.00 0.00 178.44 178.39 1lm1 h LEU 234 N -0.21 0.64 0.00 2.25 5.85 -1.94 -0.56 115.31 121.34 1lm1 h LEU 234 Ca 0.14 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1lm1 h LEU 234 Cb 0.43 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1lm1 h LEU 234 CO -0.39 0.67 0.00 0.61 -0.34 0.00 0.00 178.44 179.00 1lm1 n GLY 235 N -0.86 -2.88 0.26 3.75 0.00 -1.05 -1.30 105.19 103.11 1lm1 n GLY 235 Ca 0.03 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1lm1 n GLY 235 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lm1 n ASN 236 N -0.75 -0.01 0.47 1.61 3.02 -0.97 -0.15 115.26 118.48 1lm1 n ASN 236 Ca 0.00 1.31 -0.19 0.00 -0.03 0.00 0.00 54.58 55.67 1lm1 n ASN 236 Cb 0.00 -0.51 -0.09 0.00 -0.61 0.00 0.00 39.78 38.57 1lm1 n ASN 236 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1lm1 h ILE 237 N 0.00 0.02 -0.97 2.41 2.04 -1.13 -1.58 117.51 118.30 1lm1 h ILE 237 Ca 0.51 -0.11 0.29 0.00 1.00 0.00 0.00 64.86 66.56 1lm1 h ILE 237 Cb 1.14 0.02 -0.14 0.00 -0.74 0.00 0.00 36.82 37.09 1lm1 h ILE 237 CO -0.70 0.00 0.49 0.78 0.00 0.00 0.00 178.15 178.73 1lm1 h ASN 238 N -1.31 0.41 0.00 1.72 4.21 0.81 0.20 115.58 121.62 1lm1 h ASN 238 Ca -0.12 0.19 -0.00 0.00 1.21 0.00 0.00 56.30 57.57 1lm1 h ASN 238 Cb 0.93 0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.28 1lm1 h ASN 238 CO 0.20 -0.11 -0.00 -0.50 -1.29 0.00 0.00 177.43 175.73 1lm1 h TRP 239 N 0.33 -0.00 -0.44 1.19 4.06 -1.21 -2.09 115.95 117.79 1lm1 h TRP 239 Ca 0.68 -0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.72 1lm1 h TRP 239 Cb 1.48 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.57 1lm1 h TRP 239 CO -0.07 0.59 -0.04 0.52 -3.56 0.00 0.00 178.44 175.88 1lm1 h MET 240 N -0.59 0.06 -0.64 0.49 2.86 -0.48 -1.45 114.93 115.18 1lm1 h MET 240 Ca -0.00 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1lm1 h MET 240 Cb 0.59 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 1lm1 h MET 240 CO 0.00 0.04 0.43 0.00 1.06 0.00 0.00 176.91 178.44 1lm1 h ALA 241 N 1.41 1.79 0.00 6.32 0.00 -0.60 0.21 119.26 128.39 1lm1 h ALA 241 Ca 0.22 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1lm1 h ALA 241 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1lm1 h ALA 241 CO -0.40 0.10 -0.50 0.00 0.00 0.00 0.00 179.25 178.45 1lm1 h ALA 242 N 1.65 0.98 0.00 0.00 0.00 -0.57 -2.95 119.26 118.38 1lm1 h ALA 242 Ca 0.28 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1lm1 h ALA 242 Cb 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1lm1 h ALA 242 CO -0.09 0.63 0.00 0.54 0.00 0.00 0.00 179.25 180.33 1lm1 n ARG 243 N -3.67 0.02 0.08 0.00 1.74 0.72 -4.28 116.66 111.26 1lm1 n ARG 243 Ca -0.01 0.45 -0.09 0.00 -0.77 0.00 0.00 57.85 57.43 1lm1 n ARG 243 Cb 0.57 -1.54 -0.11 0.00 -1.02 0.00 0.00 32.46 30.35 1lm1 n ARG 243 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1lm1 h GLU 244 N 0.00 0.09 0.00 5.56 5.08 -1.42 -2.65 114.58 121.24 1lm1 h GLU 244 Ca 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1lm1 h GLU 244 Cb 0.07 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1lm1 h GLU 244 CO 0.00 1.05 -0.28 1.63 -1.00 0.00 0.00 179.01 180.41 1lm1 n LYS 245 N -3.43 0.19 -0.69 2.33 5.02 -1.26 -3.86 118.16 116.46 1lm1 n LYS 245 Ca -0.03 0.10 -0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1lm1 n LYS 245 Cb 0.95 -1.67 0.23 0.00 -0.02 0.00 0.00 35.03 34.52 1lm1 n LYS 245 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1lm1 n GLU 246 N -1.97 2.36 -1.84 1.97 2.13 -1.01 -4.98 120.64 117.30 1lm1 n GLU 246 Ca 0.05 -3.03 -0.42 0.00 0.66 0.00 0.00 57.16 54.42 1lm1 n GLU 246 Cb 0.40 -1.86 -0.03 0.00 0.27 0.00 0.00 31.44 30.22 1lm1 n GLU 246 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1lm1 s LEU 247 N -3.07 4.38 -0.05 4.31 1.43 -1.14 -4.97 118.68 119.56 1lm1 s LEU 247 Ca 0.45 2.62 -0.01 0.00 -1.03 0.00 0.00 54.13 56.16 1lm1 s LEU 247 Cb 0.39 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 43.06 1lm1 s LEU 247 CO 0.05 -0.93 0.01 -1.61 0.23 0.00 0.00 176.35 174.10 1lm1 s GLU 248 N 2.45 0.37 0.12 1.70 2.02 -1.26 -4.98 118.70 119.12 1lm1 s GLU 248 Ca 0.76 0.16 -0.06 0.00 0.02 0.00 0.00 54.97 55.85 1lm1 s GLU 248 Cb -0.43 -0.73 -0.02 0.00 0.10 0.00 0.00 34.13 33.05 1lm1 s GLU 248 CO 0.34 -0.26 0.15 0.08 0.02 0.00 0.00 175.26 175.59 1lm1 s VAL 249 N 1.73 0.12 -0.53 2.63 1.01 -1.26 -4.55 120.40 119.55 1lm1 s VAL 249 Ca 0.00 -1.54 -0.15 0.00 0.00 0.00 0.00 61.98 60.29 1lm1 s VAL 249 Cb -0.13 -1.72 -0.12 0.00 0.00 0.00 0.00 36.38 34.41 1lm1 s VAL 249 CO -0.04 -0.54 1.41 -1.54 0.00 0.00 0.00 175.10 174.39 1lm1 n SER 250 N -0.09 0.05 0.00 3.32 3.41 -1.26 -2.82 113.62 116.23 1lm1 n SER 250 Ca -0.10 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1lm1 n SER 250 Cb 0.63 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1lm1 n SER 250 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lm1 n GLY 251 N 3.41 0.00 3.29 5.00 0.00 -1.26 -4.90 105.19 110.73 1lm1 n GLY 251 Ca 0.35 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.78 1lm1 n GLY 251 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1lm1 n TRP 252 N 0.00 1.52 -2.20 1.61 7.02 -1.13 -4.87 117.44 119.40 1lm1 n TRP 252 Ca 0.00 1.00 -0.38 0.00 -1.02 0.00 0.00 57.50 57.10 1lm1 n TRP 252 Cb 0.00 -1.98 -0.01 0.00 -2.42 0.00 0.00 31.31 26.90 1lm1 n TRP 252 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1lm1 s THR 253 N 2.83 2.96 0.50 -0.99 2.01 -1.26 -4.56 115.64 117.12 1lm1 s THR 253 Ca 0.94 0.77 0.37 0.00 0.31 0.00 0.00 61.69 64.08 1lm1 s THR 253 Cb -1.33 -3.42 0.39 0.00 0.01 0.00 0.00 72.50 68.16 1lm1 s THR 253 CO 0.72 0.04 2.22 0.50 -0.69 0.00 0.00 174.62 177.41 1lm1 h LYS 254 N 2.32 0.00 0.02 4.92 3.64 -1.93 0.20 116.57 125.73 1lm1 h LYS 254 Ca -0.49 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.68 1lm1 h LYS 254 Cb 1.25 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 1lm1 h LYS 254 CO 0.61 0.03 -0.96 0.00 -2.27 0.00 0.00 179.45 176.86 1lm1 h ALA 255 N 1.97 0.42 0.09 5.00 0.00 -1.98 -2.87 119.26 121.90 1lm1 h ALA 255 Ca -0.00 -0.82 -0.26 0.00 0.00 0.00 0.00 54.91 53.82 1lm1 h ALA 255 Cb 0.17 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 17.88 1lm1 h ALA 255 CO 0.00 1.08 -1.08 0.93 0.00 0.00 0.00 179.25 180.19 1lm1 h GLU 256 N 0.03 0.56 -0.40 0.00 5.08 -1.04 -2.82 114.58 116.00 1lm1 h GLU 256 Ca -0.03 -0.73 -0.03 0.00 -1.00 0.00 0.00 59.36 57.56 1lm1 h GLU 256 Cb 1.66 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 31.13 1lm1 h GLU 256 CO 0.14 1.32 0.13 -0.07 -1.00 0.00 0.00 179.01 179.53 1lm1 h LEU 257 N 0.15 0.57 -2.09 1.33 3.38 -1.23 -0.68 115.31 116.74 1lm1 h LEU 257 Ca -0.16 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1lm1 h LEU 257 Cb 1.77 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1lm1 h LEU 257 CO 0.21 0.61 0.09 -0.08 0.09 0.00 0.00 178.44 179.36 1lm1 h GLU 258 N 0.49 0.00 0.01 1.13 4.81 -1.54 -1.95 114.58 117.53 1lm1 h GLU 258 Ca 0.13 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.13 1lm1 h GLU 258 Cb 0.24 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.64 1lm1 h GLU 258 CO -0.01 0.00 -0.91 0.00 -0.73 0.00 0.00 179.01 177.36 1lm1 h ALA 259 N 1.80 0.10 0.00 2.92 0.00 -0.85 -1.88 119.26 121.36 1lm1 h ALA 259 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1lm1 h ALA 259 Cb 0.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1lm1 h ALA 259 CO 0.00 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1lm1 n LEU 260 N -3.97 0.72 0.00 0.00 4.77 -0.73 -4.59 117.00 113.20 1lm1 n LEU 260 Ca -0.11 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1lm1 n LEU 260 Cb 0.82 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1lm1 n LEU 260 CO 0.53 0.12 0.29 0.41 -1.33 0.00 0.00 177.39 177.42 1lm1 n THR 261 N 0.81 0.00 -3.22 -5.08 -1.04 -0.71 -2.15 114.28 102.89 1lm1 n THR 261 Ca 0.00 0.89 -0.44 0.00 -2.04 0.00 0.00 64.05 62.46 1lm1 n THR 261 Cb 0.12 -1.20 -0.06 0.00 -1.82 0.00 0.00 70.33 67.37 1lm1 n THR 261 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1lm1 s PRO 262 N -2.78 3.05 0.00 -2.82 0.05 -1.26 -4.92 135.00 126.32 1lm1 s PRO 262 Ca 0.00 -1.23 0.26 0.00 0.05 0.00 0.00 61.00 60.08 1lm1 s PRO 262 Cb 0.00 -4.18 0.70 0.00 0.05 0.00 0.00 34.50 31.06 1lm1 s PRO 262 CO 0.00 -1.28 1.53 0.44 0.05 0.00 0.00 177.00 177.74 1lm1 n ILE 263 N 5.45 0.00 -3.97 0.56 -0.00 -0.91 -4.87 119.36 115.62 1lm1 n ILE 263 Ca -0.10 -0.10 -0.10 0.00 -0.00 0.00 0.00 62.75 62.45 1lm1 n ILE 263 Cb 0.43 0.38 -0.11 0.00 -0.00 0.00 0.00 39.64 40.34 1lm1 n ILE 263 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1lm1 s VAL 264 N -2.60 0.11 -0.24 7.28 0.11 -1.26 -4.61 120.40 119.18 1lm1 s VAL 264 Ca 0.21 -0.79 -0.09 0.00 -2.93 0.00 0.00 61.98 58.38 1lm1 s VAL 264 Cb 0.19 -0.24 0.11 0.00 -1.53 0.00 0.00 36.38 34.90 1lm1 s VAL 264 CO 0.56 -0.43 0.53 0.21 -3.33 0.00 0.00 175.10 172.64 1lm1 s ASN 265 N -1.26 -0.68 0.14 3.54 3.84 -1.26 -4.95 114.94 114.30 1lm1 s ASN 265 Ca -0.14 1.26 -0.16 0.00 0.21 0.00 0.00 52.86 54.03 1lm1 s ASN 265 Cb -0.09 1.74 0.07 0.00 -0.55 0.00 0.00 41.25 42.42 1lm1 s ASN 265 CO -0.01 -0.23 1.09 0.00 -2.79 0.00 0.00 177.10 175.16 1lm1 n GLN 266 N 5.32 -0.23 -0.35 0.43 6.02 -1.26 -1.82 117.38 125.49 1lm1 n GLN 266 Ca -0.11 1.07 0.05 0.00 -0.01 0.00 0.00 57.00 58.00 1lm1 n GLN 266 Cb 0.50 -1.58 0.22 0.00 1.02 0.00 0.00 30.24 30.39 1lm1 n GLN 266 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lm1 h ALA 267 N 0.70 1.48 -2.27 -1.58 0.00 -2.05 -3.43 119.26 112.10 1lm1 h ALA 267 Ca 0.19 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.64 1lm1 h ALA 267 Cb 0.36 -0.26 0.16 0.00 0.00 0.00 0.00 17.79 18.04 1lm1 h ALA 267 CO -0.68 0.34 0.27 -0.80 0.00 0.00 0.00 179.25 178.38 1lm1 s ASN 268 N -5.86 2.66 0.64 0.00 0.01 -0.75 -5.05 114.94 106.59 1lm1 s ASN 268 Ca -0.12 0.78 -0.06 0.00 -0.71 0.00 0.00 52.86 52.74 1lm1 s ASN 268 Cb 0.21 -1.18 0.03 0.00 0.41 0.00 0.00 41.25 40.72 1lm1 s ASN 268 CO 0.81 -3.06 0.95 -0.94 -1.51 0.00 0.00 177.10 173.35 1lm1 s SER 269 N -4.08 5.27 0.62 -1.22 1.04 -1.26 -4.86 113.70 109.20 1lm1 s SER 269 Ca 0.68 0.61 0.34 0.00 0.48 0.00 0.00 55.95 58.06 1lm1 s SER 269 Cb -0.12 -1.46 1.97 0.00 0.10 0.00 0.00 66.02 66.51 1lm1 s SER 269 CO 0.54 -1.29 2.26 -2.24 0.98 0.00 0.00 173.24 173.49 1lm1 h ASP 270 N -0.36 0.00 0.04 7.02 3.04 -1.95 -2.21 116.42 122.00 1lm1 h ASP 270 Ca -0.45 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.18 1lm1 h ASP 270 Cb 1.28 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.56 1lm1 h ASP 270 CO 0.60 0.00 -0.86 0.28 -2.04 0.00 0.00 179.24 177.23 1lm1 h SER 271 N 0.00 0.12 -0.13 4.15 0.02 -1.95 -2.03 113.55 113.73 1lm1 h SER 271 Ca 0.01 -0.78 0.04 0.00 -0.84 0.00 0.00 61.79 60.22 1lm1 h SER 271 Cb 0.09 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.53 1lm1 h SER 271 CO -0.00 1.36 -0.42 0.22 -1.14 0.00 0.00 176.83 176.84 1lm1 h TYR 272 N -0.79 -1.21 -0.97 3.45 3.20 -1.92 0.12 116.97 118.84 1lm1 h TYR 272 Ca -0.21 0.05 0.21 0.00 3.14 0.00 0.00 58.73 61.92 1lm1 h TYR 272 Cb 1.34 0.55 -0.09 0.00 1.54 0.00 0.00 36.73 40.07 1lm1 h TYR 272 CO 0.17 -0.48 0.62 -0.91 -1.64 0.00 0.00 178.16 175.92 1lm1 h ASN 273 N -0.49 0.54 0.03 -2.11 2.35 -1.49 -0.12 115.58 114.27 1lm1 h ASN 273 Ca 0.07 0.07 -0.24 0.00 -0.55 0.00 0.00 56.30 55.65 1lm1 h ASN 273 Cb 0.63 -0.03 0.02 0.00 0.05 0.00 0.00 38.32 38.99 1lm1 h ASN 273 CO -0.40 0.18 -0.96 0.25 -1.65 0.00 0.00 177.43 174.85 1lm1 h LEU 274 N 0.52 0.80 0.51 1.61 6.46 -0.42 -2.18 115.31 122.60 1lm1 h LEU 274 Ca 0.54 -0.77 -0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1lm1 h LEU 274 Cb 1.17 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1lm1 h LEU 274 CO -0.27 1.47 -0.24 -0.78 -0.62 0.00 0.00 178.44 178.00 1lm1 h ASP 275 N 0.22 -0.58 -0.86 1.25 1.82 -0.16 0.65 116.42 118.76 1lm1 h ASP 275 Ca -0.13 -0.02 0.22 0.00 -0.39 0.00 0.00 57.03 56.71 1lm1 h ASP 275 Cb 1.64 0.15 -0.14 0.00 0.68 0.00 0.00 39.33 41.66 1lm1 h ASP 275 CO 0.19 -0.34 0.20 -1.28 -1.61 0.00 0.00 179.24 176.40 1lm1 h SER 276 N -0.78 -0.05 -0.12 2.28 0.87 -1.08 0.57 113.55 115.24 1lm1 h SER 276 Ca -0.07 0.19 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 1lm1 h SER 276 Cb 0.57 0.27 0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1lm1 h SER 276 CO 0.11 -0.15 -0.46 0.00 -0.53 0.00 0.00 176.83 175.80 1lm1 h ALA 277 N 1.76 0.22 -0.63 6.23 0.00 -0.69 -1.93 119.26 124.22 1lm1 h ALA 277 Ca 0.53 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1lm1 h ALA 277 Cb 1.04 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1lm1 h ALA 277 CO -0.65 0.38 0.40 1.25 0.00 0.00 0.00 179.25 180.62 1lm1 h LEU 278 N 0.14 0.66 -0.02 0.00 5.85 0.20 -2.40 115.31 119.74 1lm1 h LEU 278 Ca -0.02 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1lm1 h LEU 278 Cb 1.10 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.93 1lm1 h LEU 278 CO 0.10 0.46 -0.41 -0.33 -0.34 0.00 0.00 178.44 177.92 1lm1 h GLU 279 N 0.79 -0.53 -0.63 1.25 4.39 0.45 -1.12 114.58 119.19 1lm1 h GLU 279 Ca 0.25 0.04 0.12 0.00 0.34 0.00 0.00 59.36 60.11 1lm1 h GLU 279 Cb -0.00 0.12 -0.12 0.00 -0.10 0.00 0.00 28.75 28.65 1lm1 h GLU 279 CO -0.09 -0.35 -0.24 1.25 -1.16 0.00 0.00 179.01 178.41 1lm1 h LEU 280 N -0.55 -0.86 -0.66 1.33 5.85 -0.89 0.54 115.31 120.07 1lm1 h LEU 280 Ca 0.05 0.21 0.10 0.00 0.84 0.00 0.00 57.88 59.08 1lm1 h LEU 280 Cb 0.64 0.48 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 1lm1 h LEU 280 CO -0.32 -0.26 0.28 -0.07 -0.34 0.00 0.00 178.44 177.73 1lm1 h LEU 281 N -0.08 0.32 0.13 2.25 3.38 -0.90 -1.95 115.31 118.46 1lm1 h LEU 281 Ca 0.28 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1lm1 h LEU 281 Cb 0.52 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1lm1 h LEU 281 CO -0.68 0.18 -0.06 0.58 0.09 0.00 0.00 178.44 178.54 1lm1 h VAL 282 N 0.49 0.00 -1.79 1.22 2.07 0.12 -2.88 116.25 115.47 1lm1 h VAL 282 Ca 0.33 -0.22 0.52 0.00 0.82 0.00 0.00 66.70 68.16 1lm1 h VAL 282 Cb 0.40 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 1lm1 h VAL 282 CO -0.30 0.00 1.29 0.03 0.02 0.00 0.00 177.57 178.61 1lm1 h ARG 283 N -0.40 0.00 -0.22 1.57 2.47 -1.21 0.52 114.38 117.11 1lm1 h ARG 283 Ca -0.02 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1lm1 h ARG 283 Cb 0.14 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1lm1 h ARG 283 CO 0.03 0.00 0.00 0.25 0.56 0.00 0.00 179.97 180.81 1lm1 n THR 284 N -4.01 0.28 0.00 2.04 -2.24 -0.73 -4.87 114.28 104.75 1lm1 n THR 284 Ca 0.40 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1lm1 n THR 284 Cb 1.84 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 70.38 1lm1 n THR 284 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lm1 n GLY 285 N 1.10 0.15 3.77 3.38 0.00 0.18 -4.95 105.19 108.81 1lm1 n GLY 285 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1lm1 n GLY 285 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lm1 s ARG 286 N 0.00 2.48 0.02 1.61 0.52 -0.86 -5.05 118.95 117.67 1lm1 s ARG 286 Ca 0.00 -1.46 -0.08 0.00 -0.52 0.00 0.00 55.73 53.67 1lm1 s ARG 286 Cb 0.00 -2.27 -0.05 0.00 0.52 0.00 0.00 34.95 33.15 1lm1 s ARG 286 CO 0.00 0.12 0.30 -1.54 0.02 0.00 0.00 175.30 174.20 1lm1 s SER 287 N -3.89 6.54 0.44 0.23 1.04 -1.26 -4.27 113.70 112.53 1lm1 s SER 287 Ca 0.38 0.62 0.29 0.00 0.48 0.00 0.00 55.95 57.73 1lm1 s SER 287 Cb -0.04 -2.11 1.39 0.00 0.10 0.00 0.00 66.02 65.36 1lm1 s SER 287 CO 0.24 0.24 1.65 -0.65 0.98 0.00 0.00 173.24 175.70 1lm1 h PRO 288 N 3.96 0.13 -0.11 4.02 0.11 -1.95 0.82 132.00 138.98 1lm1 h PRO 288 Ca -0.50 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1lm1 h PRO 288 Cb 1.20 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1lm1 h PRO 288 CO 0.66 0.08 0.05 -0.07 -0.21 0.00 0.00 178.00 178.52 1lm1 h LEU 289 N 0.13 0.14 -0.41 2.35 3.38 -1.99 -0.79 115.31 118.13 1lm1 h LEU 289 Ca 0.78 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.51 1lm1 h LEU 289 Cb 2.42 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 43.13 1lm1 h LEU 289 CO -0.37 0.22 -0.22 -0.08 0.09 0.00 0.00 178.44 178.08 1lm1 h GLU 290 N 0.06 0.87 -0.57 1.13 4.81 0.25 -2.16 114.58 118.96 1lm1 h GLU 290 Ca 0.04 -0.39 0.05 0.00 -0.13 0.00 0.00 59.36 58.92 1lm1 h GLU 290 Cb 0.11 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 1lm1 h GLU 290 CO -0.00 1.04 0.30 0.00 -0.73 0.00 0.00 179.01 179.62 1lm1 h ALA 291 N 0.81 0.74 -0.76 2.92 0.00 -1.16 0.74 119.26 122.55 1lm1 h ALA 291 Ca 0.09 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1lm1 h ALA 291 Cb 0.79 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1lm1 h ALA 291 CO 0.07 -0.03 0.47 0.00 0.00 0.00 0.00 179.25 179.76 1lm1 h ALA 292 N 1.30 1.01 0.11 0.00 0.00 -1.06 -1.47 119.26 119.15 1lm1 h ALA 292 Ca 0.25 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1lm1 h ALA 292 Cb 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1lm1 h ALA 292 CO -0.16 0.23 -0.21 0.52 0.00 0.00 0.00 179.25 179.63 1lm1 h MET 293 N 0.89 -0.39 -0.42 0.00 2.07 -0.37 0.43 114.93 117.15 1lm1 h MET 293 Ca 0.32 0.03 0.09 0.00 -2.07 0.00 0.00 59.70 58.06 1lm1 h MET 293 Cb 0.08 0.09 -0.09 0.00 -1.87 0.00 0.00 31.60 29.81 1lm1 h MET 293 CO -0.14 -0.26 -0.17 0.82 1.07 0.00 0.00 176.91 178.23 1lm1 h ILE 294 N -0.40 0.45 0.00 -1.22 5.03 -0.70 -2.76 117.51 117.92 1lm1 h ILE 294 Ca 0.03 0.00 -0.12 0.00 -0.12 0.00 0.00 64.86 64.65 1lm1 h ILE 294 Cb 0.42 0.45 -0.02 0.00 -3.03 0.00 0.00 36.82 34.65 1lm1 h ILE 294 CO -0.12 0.00 -0.87 -0.07 -0.68 0.00 0.00 178.15 176.40 1lm1 h LEU 295 N -0.09 0.00 -5.84 1.44 3.38 -0.79 -3.36 115.31 110.05 1lm1 h LEU 295 Ca 0.20 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.66 1lm1 h LEU 295 Cb 0.40 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.75 1lm1 h LEU 295 CO -0.48 0.50 -1.07 0.52 0.09 0.00 0.00 178.44 178.01 1lm1 n VAL 296 N -3.07 0.57 -1.58 1.22 0.31 0.15 -0.89 118.33 115.05 1lm1 n VAL 296 Ca -0.03 -4.81 -0.50 0.00 -0.01 0.00 0.00 64.34 59.00 1lm1 n VAL 296 Cb 0.77 -0.57 -0.05 0.00 -0.91 0.00 0.00 33.84 33.07 1lm1 n VAL 296 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1lm1 n PRO 297 N 0.19 1.10 -1.03 5.55 -0.02 -1.04 -4.65 135.00 135.10 1lm1 n PRO 297 Ca 0.26 0.39 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 1lm1 n PRO 297 Cb 0.59 -1.92 0.04 0.00 -0.02 0.00 0.00 33.50 32.19 1lm1 n PRO 297 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1lm1 n GLU 298 N 1.95 -0.01 -2.82 -0.52 1.02 -1.26 -4.38 120.64 114.62 1lm1 n GLU 298 Ca 0.16 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.87 1lm1 n GLU 298 Cb 0.22 -1.09 -0.03 0.00 -0.02 0.00 0.00 31.44 30.52 1lm1 n GLU 298 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1lm1 s ALA 299 N -2.03 3.11 -0.02 0.62 0.00 -1.26 -4.92 121.76 117.26 1lm1 s ALA 299 Ca 0.45 -2.08 -0.10 0.00 0.00 0.00 0.00 51.96 50.22 1lm1 s ALA 299 Cb -0.24 -4.01 -0.31 0.00 0.00 0.00 0.00 23.12 18.56 1lm1 s ALA 299 CO 0.78 -2.96 0.79 0.10 0.00 0.00 0.00 175.76 174.47 1lm1 h TYR 300 N 9.44 0.73 -2.35 0.00 -0.00 -1.94 -3.46 116.97 119.39 1lm1 h TYR 300 Ca -0.12 -0.53 -0.62 0.00 0.00 0.00 0.00 58.73 57.46 1lm1 h TYR 300 Cb 1.05 -0.03 0.09 0.00 0.00 0.00 0.00 36.73 37.84 1lm1 h TYR 300 CO 1.06 1.59 0.29 1.63 -0.00 0.00 0.00 178.16 182.73 1lm1 n LYS 301 N -3.59 1.44 -3.40 0.10 5.02 -1.26 -2.51 118.16 113.96 1lm1 n LYS 301 Ca -0.21 0.51 -0.19 0.00 -2.02 0.00 0.00 58.31 56.40 1lm1 n LYS 301 Cb 1.08 -1.99 0.07 0.00 -0.02 0.00 0.00 35.03 34.16 1lm1 n LYS 301 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1lm1 n ASN 302 N 1.68 -5.06 -3.80 4.39 3.02 -1.26 -4.92 115.26 109.32 1lm1 n ASN 302 Ca 0.12 -0.75 -0.30 0.00 -0.03 0.00 0.00 54.58 53.61 1lm1 n ASN 302 Cb 0.29 -4.79 -0.14 0.00 -0.61 0.00 0.00 39.78 34.54 1lm1 n ASN 302 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1lm1 s GLN 303 N -4.98 1.32 0.36 3.52 2.00 -1.04 -4.97 119.66 115.86 1lm1 s GLN 303 Ca 0.33 -1.91 0.25 0.00 -2.00 0.00 0.00 55.36 52.04 1lm1 s GLN 303 Cb -0.06 -2.55 1.22 0.00 0.80 0.00 0.00 33.01 32.43 1lm1 s GLN 303 CO 0.77 -1.09 1.31 -2.30 -0.50 0.00 0.00 175.29 173.47 1lm1 n PRO 304 N 3.82 -0.03 0.07 1.67 -0.02 -1.26 0.25 135.00 139.49 1lm1 n PRO 304 Ca 0.05 1.07 0.09 0.00 -2.02 0.00 0.00 63.50 62.69 1lm1 n PRO 304 Cb 0.36 -2.06 0.38 0.00 -0.02 0.00 0.00 33.50 32.16 1lm1 n PRO 304 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lm1 n ALA 305 N -2.51 1.57 0.66 3.55 0.00 -1.26 -2.47 120.51 120.06 1lm1 n ALA 305 Ca 0.33 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.91 1lm1 n ALA 305 Cb 1.27 -1.29 0.27 0.00 0.00 0.00 0.00 19.45 19.70 1lm1 n ALA 305 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1lm1 n LEU 306 N -1.86 2.76 -0.27 0.00 4.77 0.70 -4.72 117.00 118.38 1lm1 n LEU 306 Ca 0.02 -1.19 -0.07 0.00 -0.03 0.00 0.00 56.01 54.75 1lm1 n LEU 306 Cb 0.17 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1lm1 n LEU 306 CO 0.15 0.59 0.48 0.29 -1.33 0.00 0.00 177.39 177.57 1lm1 n LYS 307 N 1.04 -0.28 -1.12 3.23 5.02 -1.03 -1.41 118.16 123.61 1lm1 n LYS 307 Ca 0.18 1.31 -0.24 0.00 -2.02 0.00 0.00 58.31 57.54 1lm1 n LYS 307 Cb 0.50 -1.94 0.14 0.00 -0.02 0.00 0.00 35.03 33.71 1lm1 n LYS 307 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1lm1 n ASP 308 N -4.45 4.60 -2.58 4.39 8.00 -1.26 -4.22 116.55 121.04 1lm1 n ASP 308 Ca 0.01 -3.47 -0.04 0.00 0.71 0.00 0.00 54.79 52.00 1lm1 n ASP 308 Cb 0.17 -0.85 0.05 0.00 -0.02 0.00 0.00 41.12 40.46 1lm1 n ASP 308 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1lm1 n TYR 309 N -0.87 1.44 0.20 1.24 4.02 -0.50 -4.94 117.16 117.74 1lm1 n TYR 309 Ca 0.54 -2.05 0.10 0.00 -0.01 0.00 0.00 57.90 56.48 1lm1 n TYR 309 Cb 1.32 -0.25 0.51 0.00 -0.02 0.00 0.00 39.34 40.91 1lm1 n TYR 309 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1lm1 h PRO 310 N 2.41 0.00 -0.30 -0.72 0.13 -1.73 -0.34 132.00 131.44 1lm1 h PRO 310 Ca -0.05 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.12 1lm1 h PRO 310 Cb 1.35 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.45 1lm1 h PRO 310 CO 0.28 0.00 0.08 0.93 -0.23 0.00 0.00 178.00 179.06 1lm1 h GLU 311 N 0.00 0.20 0.00 0.86 5.08 -1.92 -2.93 114.58 115.87 1lm1 h GLU 311 Ca 0.00 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1lm1 h GLU 311 Cb 0.44 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1lm1 h GLU 311 CO 0.00 0.13 -0.55 0.97 -1.00 0.00 0.00 179.01 178.56 1lm1 h ILE 312 N 0.21 1.09 -0.37 3.13 -0.00 -1.38 0.50 117.51 120.69 1lm1 h ILE 312 Ca 0.14 -2.15 -0.02 0.00 -0.00 0.00 0.00 64.86 62.83 1lm1 h ILE 312 Cb 0.13 2.27 -0.02 0.00 -0.00 0.00 0.00 36.82 39.20 1lm1 h ILE 312 CO -0.16 0.54 0.15 0.28 -0.00 0.00 0.00 178.15 178.96 1lm1 h SER 313 N 0.00 0.47 1.10 2.19 0.02 -1.61 -1.30 113.55 114.42 1lm1 h SER 313 Ca -0.01 -0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.73 1lm1 h SER 313 Cb 1.23 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 1lm1 h SER 313 CO 0.07 0.43 -0.94 0.44 -1.14 0.00 0.00 176.83 175.69 1lm1 h ASP 314 N 0.52 0.00 -0.09 3.07 3.32 -1.06 -0.65 116.42 121.52 1lm1 h ASP 314 Ca 0.13 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.20 1lm1 h ASP 314 Cb 0.11 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1lm1 h ASP 314 CO -0.01 0.72 -0.06 -0.26 -1.72 0.00 0.00 179.24 177.90 1lm1 h PHE 315 N 0.00 -0.14 0.00 4.55 -1.00 0.20 0.09 116.94 120.63 1lm1 h PHE 315 Ca -0.06 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.65 1lm1 h PHE 315 Cb 1.60 0.08 -0.01 0.00 3.61 0.00 0.00 35.95 41.23 1lm1 h PHE 315 CO 0.00 -0.09 -0.37 0.45 -1.61 0.00 0.00 178.31 176.69 1lm1 h HIS 316 N -0.06 0.00 -0.41 -0.55 3.86 -1.49 -0.32 115.15 116.17 1lm1 h HIS 316 Ca 0.06 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1lm1 h HIS 316 Cb 0.15 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 1lm1 h HIS 316 CO -0.17 0.37 0.21 0.22 0.86 0.00 0.00 177.93 179.41 1lm1 h ASP 317 N 0.00 0.31 0.55 2.45 1.82 -0.82 0.05 116.42 120.78 1lm1 h ASP 317 Ca -0.00 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.63 1lm1 h ASP 317 Cb 1.24 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 41.21 1lm1 h ASP 317 CO 0.05 0.22 -0.26 0.22 -1.61 0.00 0.00 179.24 177.86 1lm1 h TYR 318 N 0.43 -0.68 0.00 0.28 3.20 -0.67 -3.32 116.97 116.20 1lm1 h TYR 318 Ca 0.18 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1lm1 h TYR 318 Cb 0.08 0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1lm1 h TYR 318 CO -0.10 -0.43 -0.06 1.88 -1.64 0.00 0.00 178.16 177.82 1lm1 h TYR 319 N -0.88 0.00 -1.10 -3.82 -1.99 -0.95 -0.63 116.97 107.59 1lm1 h TYR 319 Ca -0.08 0.00 0.34 0.00 2.00 0.00 0.00 58.73 60.99 1lm1 h TYR 319 Cb 0.57 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.17 1lm1 h TYR 319 CO 0.06 0.06 0.68 1.03 -0.00 0.00 0.00 178.16 179.98 1lm1 h SER 320 N 0.00 0.43 0.90 3.88 0.87 -1.08 0.70 113.55 119.24 1lm1 h SER 320 Ca -0.00 0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.57 1lm1 h SER 320 Cb 0.11 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1lm1 h SER 320 CO 0.01 -0.08 -0.65 1.23 -0.53 0.00 0.00 176.83 176.80 1lm1 h GLY 321 N 0.28 0.00 0.00 5.77 0.00 -1.26 -3.38 103.07 104.49 1lm1 h GLY 321 Ca 0.72 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 48.03 1lm1 h GLY 321 CO -0.47 0.00 -0.39 1.41 0.00 0.00 0.00 176.54 177.10 1lm1 h LEU 322 N 0.00 0.00 -7.93 3.11 4.07 -0.38 -3.45 115.31 110.72 1lm1 h LEU 322 Ca -0.01 -0.08 -0.65 0.00 0.08 0.00 0.00 57.88 57.22 1lm1 h LEU 322 Cb 1.27 0.00 -0.36 0.00 1.08 0.00 0.00 40.66 42.65 1lm1 h LEU 322 CO 0.08 0.74 -0.83 -1.58 -1.08 0.00 0.00 178.44 175.78 1lm1 s GLN 323 N -2.03 2.49 0.40 1.13 2.00 0.20 -4.92 119.66 118.94 1lm1 s GLN 323 Ca -0.11 -0.99 -0.23 0.00 -2.00 0.00 0.00 55.36 52.02 1lm1 s GLN 323 Cb 0.01 -2.62 -0.09 0.00 0.80 0.00 0.00 33.01 31.11 1lm1 s GLN 323 CO 0.20 -0.38 1.01 -1.83 -0.50 0.00 0.00 175.29 173.79 1lm1 s GLU 324 N 1.26 4.20 0.49 1.67 4.04 -1.26 -4.38 118.70 124.72 1lm1 s GLU 324 Ca -0.01 1.38 -0.22 0.00 0.04 0.00 0.00 54.97 56.16 1lm1 s GLU 324 Cb -0.16 -2.45 -0.06 0.00 0.02 0.00 0.00 34.13 31.48 1lm1 s GLU 324 CO -0.09 -0.09 1.20 -2.14 -1.84 0.00 0.00 175.26 172.31 1lm1 s PRO 325 N -2.66 3.54 -0.99 -4.83 0.02 -1.26 -4.92 135.00 123.89 1lm1 s PRO 325 Ca 0.59 1.85 -0.22 0.00 0.02 0.00 0.00 61.00 63.24 1lm1 s PRO 325 Cb -0.18 -2.30 0.07 0.00 0.02 0.00 0.00 34.50 32.11 1lm1 s PRO 325 CO 0.23 -0.75 1.37 -1.58 -0.33 0.00 0.00 177.00 175.93 1lm1 s TRP 326 N -1.52 2.68 0.96 6.54 0.52 -0.07 -4.72 118.94 123.33 1lm1 s TRP 326 Ca 0.67 -0.98 -0.15 0.00 0.02 0.00 0.00 56.10 55.66 1lm1 s TRP 326 Cb -0.31 -4.59 0.21 0.00 -1.15 0.00 0.00 33.47 27.63 1lm1 s TRP 326 CO 0.36 -1.82 1.32 0.34 0.02 0.00 0.00 176.95 177.17 1lm1 s ASP 327 N 4.63 3.05 0.00 2.95 2.15 -1.26 -4.83 116.67 123.36 1lm1 s ASP 327 Ca 0.42 0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.58 1lm1 s ASP 327 Cb -0.01 -0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.41 1lm1 s ASP 327 CO -0.10 -2.76 0.00 0.61 -0.17 0.00 0.00 175.17 172.75 1lm1 n GLY 328 N -3.76 1.55 3.75 2.66 0.00 -1.26 -1.28 105.19 106.85 1lm1 n GLY 328 Ca 0.16 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 1lm1 n GLY 328 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1lm1 s PRO 329 N -1.96 2.08 0.00 1.61 0.02 -1.22 -4.79 135.00 130.74 1lm1 s PRO 329 Ca 0.00 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.33 1lm1 s PRO 329 Cb 0.00 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1lm1 s PRO 329 CO 0.00 -1.80 0.00 0.00 -0.33 0.00 0.00 177.00 174.87 1lm1 n ALA 330 N -3.45 0.00 -3.12 -1.55 0.00 -1.25 -1.88 120.51 109.27 1lm1 n ALA 330 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.18 1lm1 n ALA 330 Cb 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 1lm1 n ALA 330 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1lm1 s LEU 331 N 0.00 3.41 -0.17 0.00 2.96 0.35 -0.46 118.68 124.76 1lm1 s LEU 331 Ca 0.00 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 1lm1 s LEU 331 Cb 0.00 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 1lm1 s LEU 331 CO 0.00 -0.05 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.22 1lm1 s LEU 332 N 1.59 3.39 -0.07 -0.68 1.43 0.31 -1.88 118.68 122.76 1lm1 s LEU 332 Ca 0.06 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1lm1 s LEU 332 Cb -0.15 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1lm1 s LEU 332 CO 0.03 0.14 -0.05 -0.69 0.23 0.00 0.00 176.35 176.00 1lm1 s VAL 333 N 0.54 0.73 0.05 -1.59 1.01 -0.82 -1.04 120.40 119.28 1lm1 s VAL 333 Ca -0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 1lm1 s VAL 333 Cb -0.14 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 1lm1 s VAL 333 CO 0.02 0.29 0.17 0.72 0.00 0.00 0.00 175.10 176.30 1lm1 s PHE 334 N 1.33 0.11 0.07 5.22 -0.12 -0.07 -1.09 117.98 123.42 1lm1 s PHE 334 Ca -0.04 -0.38 -0.15 0.00 -0.05 0.00 0.00 56.93 56.32 1lm1 s PHE 334 Cb -0.14 -0.07 0.02 0.00 -0.63 0.00 0.00 43.02 42.21 1lm1 s PHE 334 CO -0.03 -0.43 0.33 0.45 -0.05 0.00 0.00 175.22 175.50 1lm1 s SER 335 N -2.21 -0.15 -0.02 1.98 0.15 -0.56 -1.88 113.70 111.01 1lm1 s SER 335 Ca -0.03 -0.23 0.06 0.00 0.70 0.00 0.00 55.95 56.45 1lm1 s SER 335 Cb -0.00 0.39 -0.10 0.00 -1.71 0.00 0.00 66.02 64.61 1lm1 s SER 335 CO -0.05 -0.69 0.12 -0.67 1.20 0.00 0.00 173.24 173.15 1lm1 n ASP 336 N 0.32 3.49 0.00 5.45 2.03 -0.69 -4.74 116.55 122.41 1lm1 n ASP 336 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1lm1 n ASP 336 Cb 0.61 1.17 0.00 0.00 -0.72 0.00 0.00 41.12 42.18 1lm1 n ASP 336 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lm1 n GLY 337 N 2.22 2.10 0.11 0.27 0.00 -1.26 -4.71 105.19 103.92 1lm1 n GLY 337 Ca -0.03 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 1lm1 n GLY 337 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lm1 h LYS 338 N 0.00 0.27 -5.98 1.61 1.57 -1.94 -3.46 116.57 108.64 1lm1 h LYS 338 Ca 0.00 -0.29 -0.57 0.00 -1.87 0.00 0.00 60.65 57.91 1lm1 h LYS 338 Cb 0.00 0.09 -0.27 0.00 0.08 0.00 0.00 32.23 32.13 1lm1 h LYS 338 CO 0.00 1.01 -0.84 0.42 -0.57 0.00 0.00 179.45 179.47 1lm1 s ILE 339 N -3.11 1.60 -0.08 1.86 1.01 -1.26 -2.36 121.20 118.86 1lm1 s ILE 339 Ca -0.15 -1.08 0.04 0.00 0.00 0.00 0.00 60.65 59.46 1lm1 s ILE 339 Cb 0.02 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 41.12 1lm1 s ILE 339 CO 0.78 0.26 -0.20 0.54 0.00 0.00 0.00 174.94 176.31 1lm1 s VAL 340 N -0.71 1.74 0.28 2.92 0.11 -0.44 -1.70 120.40 122.61 1lm1 s VAL 340 Ca 0.07 -0.85 -0.09 0.00 -2.93 0.00 0.00 61.98 58.18 1lm1 s VAL 340 Cb -0.08 -1.51 -0.00 0.00 -1.53 0.00 0.00 36.38 33.25 1lm1 s VAL 340 CO 0.01 0.49 0.46 -0.83 -3.33 0.00 0.00 175.10 171.90 1lm1 s GLY 341 N 0.30 0.89 0.01 6.54 0.00 -0.79 0.47 107.32 114.75 1lm1 s GLY 341 Ca -0.13 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.46 1lm1 s GLY 341 CO 0.06 -0.79 -0.03 0.00 0.00 0.00 0.00 173.10 172.35 1lm1 s ALA 342 N -3.66 0.17 0.06 3.20 0.00 -0.63 -0.89 121.76 120.02 1lm1 s ALA 342 Ca 0.26 -0.29 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 1lm1 s ALA 342 Cb -0.00 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.19 1lm1 s ALA 342 CO 0.13 -0.03 0.46 0.20 0.00 0.00 0.00 175.76 176.52 1lm1 s GLY 343 N -0.62 -0.35 0.18 0.00 0.00 -0.20 -0.76 107.32 105.57 1lm1 s GLY 343 Ca -0.05 0.39 0.04 0.00 0.00 0.00 0.00 44.72 45.10 1lm1 s GLY 343 CO -0.00 0.12 0.25 1.08 0.00 0.00 0.00 173.10 174.55 1lm1 s LEU 344 N -2.10 4.15 1.26 0.66 1.43 -0.81 -0.53 118.68 122.74 1lm1 s LEU 344 Ca -0.04 0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 52.93 1lm1 s LEU 344 Cb -0.00 -2.73 0.30 0.00 0.03 0.00 0.00 46.19 43.79 1lm1 s LEU 344 CO -0.03 0.03 0.84 -0.90 0.23 0.00 0.00 176.35 176.51 1lm1 n ASP 345 N -0.70 -2.57 0.21 2.29 5.75 0.39 -4.03 116.55 117.89 1lm1 n ASP 345 Ca -0.08 -0.38 0.05 0.00 -0.01 0.00 0.00 54.79 54.38 1lm1 n ASP 345 Cb 0.55 -1.14 0.47 0.00 -1.03 0.00 0.00 41.12 39.98 1lm1 n ASP 345 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1lm1 h ARG 346 N -2.92 0.00 0.00 0.11 0.11 -1.83 -2.30 114.38 107.56 1lm1 h ARG 346 Ca -0.56 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.52 1lm1 h ARG 346 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 1lm1 h ARG 346 CO 0.41 0.25 -1.20 0.09 0.10 0.00 0.00 179.97 179.62 1lm1 n ASN 347 N -4.16 0.56 -2.43 0.08 3.02 -1.26 -4.01 115.26 107.05 1lm1 n ASN 347 Ca -0.02 -0.17 -0.07 0.00 -0.03 0.00 0.00 54.58 54.29 1lm1 n ASN 347 Cb 0.31 0.99 0.03 0.00 -0.61 0.00 0.00 39.78 40.50 1lm1 n ASN 347 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lm1 n GLY 348 N 1.34 -0.33 1.10 7.41 0.00 -0.89 -4.69 105.19 109.11 1lm1 n GLY 348 Ca 0.01 0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.31 1lm1 n GLY 348 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lm1 n LEU 349 N -2.25 3.18 -3.91 0.99 4.77 -1.26 -4.79 117.00 113.74 1lm1 n LEU 349 Ca -0.03 -1.59 -0.16 0.00 -0.03 0.00 0.00 56.01 54.20 1lm1 n LEU 349 Cb 0.55 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 41.09 1lm1 n LEU 349 CO 0.31 0.76 -0.39 -0.13 -1.33 0.00 0.00 177.39 176.61 1lm1 s ARG 350 N -1.30 0.39 0.37 3.23 1.81 -1.26 -4.81 118.95 117.38 1lm1 s ARG 350 Ca 0.39 -0.10 -0.26 0.00 -1.72 0.00 0.00 55.73 54.03 1lm1 s ARG 350 Cb 0.21 -0.42 -0.09 0.00 -0.45 0.00 0.00 34.95 34.20 1lm1 s ARG 350 CO 0.25 0.03 1.17 -1.25 -0.68 0.00 0.00 175.30 174.82 1lm1 s PRO 351 N 0.24 4.22 -0.29 3.54 0.04 -1.26 -4.81 135.00 136.67 1lm1 s PRO 351 Ca -0.02 1.86 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 1lm1 s PRO 351 Cb -0.06 -2.83 0.10 0.00 0.04 0.00 0.00 34.50 31.76 1lm1 s PRO 351 CO -0.00 -0.18 0.14 0.00 0.04 0.00 0.00 177.00 177.00 1lm1 s ALA 352 N -1.34 0.57 -0.07 8.56 0.00 -1.26 -4.15 121.76 124.07 1lm1 s ALA 352 Ca 0.53 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.28 1lm1 s ALA 352 Cb -0.32 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 1lm1 s ALA 352 CO 0.40 -1.68 0.32 1.03 0.00 0.00 0.00 175.76 175.84 1lm1 s ARG 353 N 2.07 3.91 0.06 0.00 1.81 -0.15 -1.29 118.95 125.35 1lm1 s ARG 353 Ca 0.09 0.21 0.00 0.00 -1.72 0.00 0.00 55.73 54.31 1lm1 s ARG 353 Cb -0.16 -3.27 -0.04 0.00 -0.45 0.00 0.00 34.95 31.03 1lm1 s ARG 353 CO -0.35 0.58 -0.04 1.52 -0.68 0.00 0.00 175.30 176.32 1lm1 s TYR 354 N -0.61 0.61 -0.01 -0.53 -0.85 -1.05 -0.46 117.35 114.45 1lm1 s TYR 354 Ca 0.20 -0.93 0.00 0.00 -0.52 0.00 0.00 57.07 55.82 1lm1 s TYR 354 Cb -0.15 -0.41 0.01 0.00 0.38 0.00 0.00 41.96 41.80 1lm1 s TYR 354 CO 0.09 -0.28 0.01 0.00 -1.52 0.00 0.00 175.55 173.85 1lm1 s ILE 356 N 0.39 1.29 0.35 0.00 1.01 -0.92 -1.14 121.20 122.19 1lm1 s ILE 356 Ca -0.03 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1lm1 s ILE 356 Cb -0.05 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 1lm1 s ILE 356 CO -0.01 0.37 0.53 0.42 0.00 0.00 0.00 174.94 176.26 1lm1 s THR 357 N -0.13 4.80 0.59 2.92 -4.23 -0.32 0.98 115.64 120.25 1lm1 s THR 357 Ca 0.01 -0.61 0.32 0.00 -1.18 0.00 0.00 61.69 60.22 1lm1 s THR 357 Cb -0.09 -3.74 0.46 0.00 1.34 0.00 0.00 72.50 70.48 1lm1 s THR 357 CO 0.01 -0.43 1.47 0.07 -0.54 0.00 0.00 174.62 175.19 1lm1 h LYS 358 N 0.76 0.00 -0.54 3.99 2.10 -1.79 0.67 116.57 121.76 1lm1 h LYS 358 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1lm1 h LYS 358 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1lm1 h LYS 358 CO 0.60 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.80 1lm1 n ASP 359 N -3.48 3.53 -1.08 7.07 8.00 -1.26 -4.93 116.55 124.40 1lm1 n ASP 359 Ca 0.25 -1.99 -0.12 0.00 0.71 0.00 0.00 54.79 53.64 1lm1 n ASP 359 Cb 1.47 -0.35 -0.04 0.00 -0.02 0.00 0.00 41.12 42.18 1lm1 n ASP 359 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1lm1 n ASP 360 N 1.47 -4.24 -4.72 -2.24 9.92 0.23 -4.31 116.55 112.66 1lm1 n ASP 360 Ca 0.21 0.19 -0.42 0.00 -0.53 0.00 0.00 54.79 54.25 1lm1 n ASP 360 Cb 0.59 -3.02 -0.03 0.00 -0.64 0.00 0.00 41.12 38.01 1lm1 n ASP 360 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1lm1 s TYR 361 N -2.50 3.27 0.00 1.24 5.04 -1.26 -4.44 117.35 118.71 1lm1 s TYR 361 Ca 0.00 1.05 0.07 0.00 -2.44 0.00 0.00 57.07 55.75 1lm1 s TYR 361 Cb 0.00 -3.63 -0.02 0.00 0.35 0.00 0.00 41.96 38.66 1lm1 s TYR 361 CO 0.00 -2.14 -0.21 -1.50 -1.34 0.00 0.00 175.55 170.36 1lm1 s ILE 362 N 0.89 1.65 -0.12 3.14 2.07 -1.10 -1.18 121.20 126.55 1lm1 s ILE 362 Ca 0.62 -0.97 -0.01 0.00 -1.41 0.00 0.00 60.65 58.88 1lm1 s ILE 362 Cb -0.36 -1.39 0.03 0.00 0.13 0.00 0.00 42.46 40.88 1lm1 s ILE 362 CO 0.32 0.39 -0.03 -0.69 -1.91 0.00 0.00 174.94 173.02 1lm1 s VAL 363 N -0.57 0.79 0.16 4.00 1.01 -0.29 -2.28 120.40 123.21 1lm1 s VAL 363 Ca 0.08 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1lm1 s VAL 363 Cb -0.08 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1lm1 s VAL 363 CO -0.00 0.22 -0.03 -0.22 0.00 0.00 0.00 175.10 175.07 1lm1 s LEU 364 N 1.79 3.23 -0.06 3.92 0.20 -0.50 0.51 118.68 127.77 1lm1 s LEU 364 Ca 0.03 -0.40 -0.31 0.00 0.69 0.00 0.00 54.13 54.14 1lm1 s LEU 364 Cb -0.14 -1.91 0.12 0.00 -0.43 0.00 0.00 46.19 43.83 1lm1 s LEU 364 CO -0.07 0.11 1.35 -0.83 -0.29 0.00 0.00 176.35 176.63 1lm1 s GLY 365 N -2.75 -0.31 0.63 7.98 0.00 0.39 -1.33 107.32 111.93 1lm1 s GLY 365 Ca 0.26 0.46 0.39 0.00 0.00 0.00 0.00 44.72 45.83 1lm1 s GLY 365 CO 0.17 3.37 2.29 1.76 0.00 0.00 0.00 173.10 180.69 1lm1 h SER 366 N 2.00 0.00 -4.86 1.64 0.02 -1.36 -0.37 113.55 110.62 1lm1 h SER 366 Ca -0.26 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.48 1lm1 h SER 366 Cb 1.19 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.55 1lm1 h SER 366 CO 0.30 0.01 -0.70 -1.61 -1.14 0.00 0.00 176.83 173.69 1lm1 s GLU 367 N -4.21 0.62 0.00 3.45 2.02 -1.26 -4.54 118.70 114.78 1lm1 s GLU 367 Ca -0.04 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.91 1lm1 s GLU 367 Cb 0.13 -0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.28 1lm1 s GLU 367 CO 0.47 -0.03 0.13 0.00 0.02 0.00 0.00 175.26 175.85 1lm1 n ALA 368 N 0.66 0.00 -0.71 5.21 0.00 -1.26 -4.36 120.51 120.05 1lm1 n ALA 368 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.10 1lm1 n ALA 368 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 1lm1 n ALA 368 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lm1 n GLY 369 N 0.88 2.80 0.38 0.00 0.00 -1.26 -4.40 105.19 103.58 1lm1 n GLY 369 Ca 0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 1lm1 n GLY 369 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1lm1 n VAL 370 N 3.55 1.31 -3.29 1.61 3.14 -1.26 -4.65 118.33 118.74 1lm1 n VAL 370 Ca 0.39 0.05 -0.37 0.00 -2.96 0.00 0.00 64.34 61.45 1lm1 n VAL 370 Cb 0.31 -2.01 -0.06 0.00 -1.06 0.00 0.00 33.84 31.02 1lm1 n VAL 370 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1lm1 s VAL 371 N -2.55 4.77 -0.94 1.55 1.01 -1.26 -4.65 120.40 118.32 1lm1 s VAL 371 Ca -0.23 1.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 1lm1 s VAL 371 Cb 0.06 -3.82 0.31 0.00 0.00 0.00 0.00 36.38 32.93 1lm1 s VAL 371 CO 0.32 0.36 1.45 -0.67 0.00 0.00 0.00 175.10 176.56 1lm1 n ASP 372 N 1.14 6.20 -4.66 3.32 2.03 -1.26 -5.03 116.55 118.29 1lm1 n ASP 372 Ca -0.07 -3.55 -0.30 0.00 0.52 0.00 0.00 54.79 51.39 1lm1 n ASP 372 Cb 0.51 -1.07 0.17 0.00 -0.72 0.00 0.00 41.12 40.01 1lm1 n ASP 372 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1lm1 s LEU 373 N -3.40 1.98 -0.44 -2.67 1.43 -1.26 -4.95 118.68 109.37 1lm1 s LEU 373 Ca 0.37 1.58 -0.23 0.00 -1.03 0.00 0.00 54.13 54.83 1lm1 s LEU 373 Cb 0.14 -3.87 0.02 0.00 0.03 0.00 0.00 46.19 42.52 1lm1 s LEU 373 CO -0.02 -3.10 0.77 -2.16 0.23 0.00 0.00 176.35 172.07 1lm1 s PRO 374 N -4.78 3.41 0.34 1.29 0.04 -1.26 -4.92 135.00 129.11 1lm1 s PRO 374 Ca 0.65 -0.12 0.12 0.00 0.04 0.00 0.00 61.00 61.69 1lm1 s PRO 374 Cb -0.20 -3.93 0.93 0.00 0.04 0.00 0.00 34.50 31.33 1lm1 s PRO 374 CO 0.59 -1.09 1.75 0.93 0.04 0.00 0.00 177.00 179.21 1lm1 h GLU 375 N 8.95 0.54 0.00 4.56 5.08 -1.94 -0.81 114.58 130.96 1lm1 h GLU 375 Ca -0.25 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1lm1 h GLU 375 Cb 1.09 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1lm1 h GLU 375 CO 0.95 0.36 0.42 0.28 -1.00 0.00 0.00 179.01 180.01 1lm1 n VAL 376 N -4.79 0.48 -1.81 3.13 0.31 -1.25 -2.17 118.33 112.23 1lm1 n VAL 376 Ca 0.26 0.58 0.00 0.00 -0.01 0.00 0.00 64.34 65.17 1lm1 n VAL 376 Cb 0.76 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 1lm1 n VAL 376 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1lm1 n ASP 377 N -1.40 0.00 -4.78 4.52 -0.08 -0.31 -4.40 116.55 110.09 1lm1 n ASP 377 Ca -0.00 -1.75 -0.36 0.00 -1.51 0.00 0.00 54.79 51.17 1lm1 n ASP 377 Cb 0.42 -0.15 -0.02 0.00 2.34 0.00 0.00 41.12 43.70 1lm1 n ASP 377 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1lm1 s ILE 378 N 0.00 3.50 0.00 5.18 1.01 -0.92 -2.48 121.20 127.49 1lm1 s ILE 378 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1lm1 s ILE 378 Cb 0.00 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1lm1 s ILE 378 CO 0.00 -0.08 0.00 0.52 0.00 0.00 0.00 174.94 175.38 1lm1 n VAL 379 N -0.58 0.00 -3.67 2.92 0.31 0.28 -4.60 118.33 112.99 1lm1 n VAL 379 Ca 0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.28 1lm1 n VAL 379 Cb 0.50 0.27 -0.06 0.00 -0.91 0.00 0.00 33.84 33.64 1lm1 n VAL 379 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1lm1 s GLU 380 N -1.74 0.91 -0.14 5.55 2.12 -1.10 -4.94 118.70 119.36 1lm1 s GLU 380 Ca 0.00 -0.36 -0.04 0.00 0.36 0.00 0.00 54.97 54.93 1lm1 s GLU 380 Cb 0.00 0.41 0.06 0.00 0.26 0.00 0.00 34.13 34.86 1lm1 s GLU 380 CO 0.00 -0.31 0.17 0.15 -0.54 0.00 0.00 175.26 174.73 1lm1 s LYS 381 N -2.44 0.09 0.00 4.30 1.02 -1.26 -2.16 119.74 119.29 1lm1 s LYS 381 Ca -0.05 0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.29 1lm1 s LYS 381 Cb -0.01 -0.80 0.00 0.00 -0.52 0.00 0.00 37.83 36.50 1lm1 s LYS 381 CO -0.02 -0.48 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 1lm1 n GLY 382 N 5.32 5.45 3.60 -3.33 0.00 -0.92 -1.46 105.19 113.86 1lm1 n GLY 382 Ca -0.05 -1.36 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 1lm1 n GLY 382 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1lm1 s ARG 383 N 1.50 0.35 -0.40 1.61 1.70 -1.26 -2.54 118.95 119.91 1lm1 s ARG 383 Ca 0.00 0.06 -0.22 0.00 -0.47 0.00 0.00 55.73 55.10 1lm1 s ARG 383 Cb 0.00 0.16 0.01 0.00 -0.57 0.00 0.00 34.95 34.56 1lm1 s ARG 383 CO 0.00 -0.11 0.72 -0.51 -1.08 0.00 0.00 175.30 174.32 1lm1 s LEU 384 N -1.19 4.25 0.90 -1.89 1.43 -0.42 -4.98 118.68 116.78 1lm1 s LEU 384 Ca 0.04 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1lm1 s LEU 384 Cb -0.01 -2.90 0.13 0.00 0.03 0.00 0.00 46.19 43.45 1lm1 s LEU 384 CO -0.03 -0.75 1.09 0.00 0.23 0.00 0.00 176.35 176.89 1lm1 s ALA 385 N 3.00 1.47 -0.14 4.21 0.00 -1.26 -4.68 121.76 124.36 1lm1 s ALA 385 Ca 0.28 0.07 -0.35 0.00 0.00 0.00 0.00 51.96 51.96 1lm1 s ALA 385 Cb -0.13 -3.24 -0.12 0.00 0.00 0.00 0.00 23.12 19.62 1lm1 s ALA 385 CO 0.18 -2.45 1.90 -2.30 0.00 0.00 0.00 175.76 173.09 1lm1 n PRO 386 N -3.97 1.98 0.00 0.00 -0.02 -1.26 -1.09 135.00 130.65 1lm1 n PRO 386 Ca 0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1lm1 n PRO 386 Cb 0.54 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1lm1 n PRO 386 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lm1 n GLY 387 N 4.57 3.13 3.75 -1.23 0.00 -1.03 -4.82 105.19 109.55 1lm1 n GLY 387 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1lm1 n GLY 387 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lm1 s GLN 388 N -0.52 3.00 0.28 1.61 -0.21 -0.25 -4.47 119.66 119.09 1lm1 s GLN 388 Ca 0.00 1.92 0.08 0.00 0.02 0.00 0.00 55.36 57.39 1lm1 s GLN 388 Cb 0.00 -2.01 -0.06 0.00 1.00 0.00 0.00 33.01 31.95 1lm1 s GLN 388 CO 0.00 -1.21 -0.11 -1.64 -2.12 0.00 0.00 175.29 170.22 1lm1 s MET 389 N -3.22 1.59 -0.14 2.91 -1.94 -1.26 -1.92 119.30 115.32 1lm1 s MET 389 Ca 0.76 -1.78 -0.10 0.00 -1.71 0.00 0.00 55.69 52.87 1lm1 s MET 389 Cb -0.33 -1.37 0.04 0.00 2.01 0.00 0.00 34.83 35.19 1lm1 s MET 389 CO 0.36 0.14 0.35 -1.50 -0.01 0.00 0.00 175.02 174.36 1lm1 s ILE 390 N -2.84 -0.02 0.39 2.53 2.07 0.06 -3.00 121.20 120.40 1lm1 s ILE 390 Ca 0.29 0.06 0.06 0.00 -1.41 0.00 0.00 60.65 59.64 1lm1 s ILE 390 Cb 0.01 -0.51 -0.02 0.00 0.13 0.00 0.00 42.46 42.07 1lm1 s ILE 390 CO 0.12 0.02 0.20 0.00 -1.91 0.00 0.00 174.94 173.38 1lm1 n ALA 391 N 3.60 0.64 -2.91 1.50 0.00 -0.37 -1.60 120.51 121.38 1lm1 n ALA 391 Ca -0.19 -2.07 -0.11 0.00 0.00 0.00 0.00 53.44 51.07 1lm1 n ALA 391 Cb 0.56 1.50 -0.12 0.00 0.00 0.00 0.00 19.45 21.39 1lm1 n ALA 391 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1lm1 s VAL 392 N -3.22 0.26 -0.06 0.00 1.01 0.18 -0.06 120.40 118.51 1lm1 s VAL 392 Ca 0.29 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1lm1 s VAL 392 Cb 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 36.06 1lm1 s VAL 392 CO 0.20 -0.34 -0.14 -0.62 0.00 0.00 0.00 175.10 174.20 1lm1 s ASP 393 N -1.18 1.95 0.25 3.32 -1.08 -0.62 -1.33 116.67 117.98 1lm1 s ASP 393 Ca -0.10 -0.33 -0.06 0.00 -0.52 0.00 0.00 52.55 51.53 1lm1 s ASP 393 Cb -0.08 -0.83 0.44 0.00 -1.46 0.00 0.00 42.92 40.99 1lm1 s ASP 393 CO -0.00 0.07 1.40 0.18 0.52 0.00 0.00 175.17 177.34 1lm1 n LEU 394 N 3.65 -0.30 -1.37 -1.34 4.77 -0.99 -0.89 117.00 120.53 1lm1 n LEU 394 Ca -0.22 1.54 0.00 0.00 -0.03 0.00 0.00 56.01 57.31 1lm1 n LEU 394 Cb 0.52 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1lm1 n LEU 394 CO 0.26 -1.49 0.00 0.00 -1.33 0.00 0.00 177.39 174.83 1lm1 n ALA 395 N -3.62 0.92 -2.62 -1.18 0.00 -1.26 -4.81 120.51 107.93 1lm1 n ALA 395 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.41 1lm1 n ALA 395 Cb 0.48 -0.72 0.01 0.00 0.00 0.00 0.00 19.45 19.22 1lm1 n ALA 395 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1lm1 n GLU 396 N 0.95 -2.80 -4.50 0.00 1.02 -0.07 -5.02 120.64 110.22 1lm1 n GLU 396 Ca 0.00 0.79 -0.20 0.00 -0.02 0.00 0.00 57.16 57.72 1lm1 n GLU 396 Cb 0.00 -5.28 -0.15 0.00 -0.02 0.00 0.00 31.44 25.99 1lm1 n GLU 396 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1lm1 s GLN 397 N -5.19 0.95 0.56 3.49 -0.21 -1.10 -4.95 119.66 113.20 1lm1 s GLN 397 Ca 0.13 -0.41 -0.07 0.00 0.02 0.00 0.00 55.36 55.03 1lm1 s GLN 397 Cb -0.06 -0.91 -0.02 0.00 1.00 0.00 0.00 33.01 33.02 1lm1 s GLN 397 CO 0.16 0.24 0.90 -1.59 -2.12 0.00 0.00 175.29 172.88 1lm1 s LYS 398 N -0.23 3.36 -0.30 2.91 0.00 -1.26 -1.59 119.74 122.63 1lm1 s LYS 398 Ca 0.04 0.32 -0.02 0.00 0.00 0.00 0.00 55.97 56.30 1lm1 s LYS 398 Cb -0.05 -2.25 0.11 0.00 0.00 0.00 0.00 37.83 35.65 1lm1 s LYS 398 CO -0.00 -0.48 0.19 0.42 0.00 0.00 0.00 175.35 175.48 1lm1 s ILE 399 N -2.96 -0.17 0.79 3.79 1.01 0.92 -4.92 121.20 119.67 1lm1 s ILE 399 Ca 0.52 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 60.30 1lm1 s ILE 399 Cb -0.11 -0.98 0.07 0.00 0.01 0.00 0.00 42.46 41.45 1lm1 s ILE 399 CO 0.48 -0.66 1.16 -0.76 0.00 0.00 0.00 174.94 175.15 1lm1 s LEU 400 N 2.10 2.56 0.26 2.97 1.43 -1.26 -1.23 118.68 125.50 1lm1 s LEU 400 Ca 0.10 0.88 -0.03 0.00 -1.03 0.00 0.00 54.13 54.05 1lm1 s LEU 400 Cb -0.16 -3.43 0.40 0.00 0.03 0.00 0.00 46.19 43.04 1lm1 s LEU 400 CO -0.32 -1.83 1.88 0.07 0.23 0.00 0.00 176.35 176.38 1lm1 h LYS 401 N -1.00 1.13 0.10 1.70 2.10 -1.96 -2.73 116.57 115.92 1lm1 h LYS 401 Ca -0.46 -0.07 0.01 0.00 -2.00 0.00 0.00 60.65 58.13 1lm1 h LYS 401 Cb 1.31 -0.26 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 1lm1 h LYS 401 CO 0.65 0.75 -0.17 -0.91 -2.00 0.00 0.00 179.45 177.77 1lm1 h ASN 402 N 1.17 -0.47 0.00 7.07 2.35 -1.91 -2.58 115.58 121.21 1lm1 h ASN 402 Ca 0.43 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 1lm1 h ASN 402 Cb 0.16 0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1lm1 h ASN 402 CO -0.17 -0.25 0.00 -1.22 -1.65 0.00 0.00 177.43 174.14 1lm1 n TYR 403 N -5.30 0.00 0.00 1.19 4.02 -1.03 -2.25 117.16 113.79 1lm1 n TYR 403 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1lm1 n TYR 403 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 1lm1 n TYR 403 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1lm1 n GLN 404 N 0.00 0.00 -0.10 -0.72 1.13 -1.26 0.23 117.38 116.67 1lm1 n GLN 404 Ca 0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 1lm1 n GLN 404 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 1lm1 n GLN 404 CO 0.00 0.00 0.00 -0.84 -1.44 0.00 0.00 177.06 174.78 1lm1 h ILE 405 N 0.00 1.30 -1.01 5.09 -0.00 -1.44 -2.39 117.51 119.06 1lm1 h ILE 405 Ca 0.00 -1.42 0.15 0.00 -0.00 0.00 0.00 64.86 63.60 1lm1 h ILE 405 Cb 0.00 1.54 -0.09 0.00 -0.00 0.00 0.00 36.82 38.27 1lm1 h ILE 405 CO 0.00 0.45 0.62 0.50 -0.00 0.00 0.00 178.15 179.73 1lm1 h LYS 406 N 0.45 0.87 -0.05 0.16 3.64 0.33 0.25 116.57 122.21 1lm1 h LYS 406 Ca 0.05 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1lm1 h LYS 406 Cb 0.82 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1lm1 h LYS 406 CO 0.07 0.58 0.06 1.96 -2.27 0.00 0.00 179.45 179.84 1lm1 h GLN 407 N 0.90 0.00 -0.01 1.90 4.20 -0.67 2.25 115.11 123.68 1lm1 h GLN 407 Ca 0.54 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.25 1lm1 h GLN 407 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1lm1 h GLN 407 CO -0.32 0.00 -0.74 0.94 -0.67 0.00 0.00 178.83 178.04 1lm1 n GLN 408 N -3.90 0.74 0.27 1.46 0.00 -0.76 -4.09 117.38 111.11 1lm1 n GLN 408 Ca -0.02 -0.40 -0.11 0.00 -0.00 0.00 0.00 57.00 56.46 1lm1 n GLN 408 Cb 0.15 -1.45 -0.06 0.00 0.00 0.00 0.00 30.24 28.89 1lm1 n GLN 408 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1lm1 h ALA 409 N 3.20 -1.15 -0.82 1.69 0.00 0.32 -3.34 119.26 119.17 1lm1 h ALA 409 Ca 0.00 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.88 1lm1 h ALA 409 Cb 0.58 0.36 -0.13 0.00 0.00 0.00 0.00 17.79 18.60 1lm1 h ALA 409 CO 0.00 -1.11 -0.33 0.00 0.00 0.00 0.00 179.25 177.80 1lm1 n ALA 410 N -2.43 -0.14 -2.53 0.00 0.00 0.72 -4.59 120.51 111.54 1lm1 n ALA 410 Ca -0.09 0.80 -0.22 0.00 0.00 0.00 0.00 53.44 53.93 1lm1 n ALA 410 Cb 0.29 -0.34 0.12 0.00 0.00 0.00 0.00 19.45 19.53 1lm1 n ALA 410 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1lm1 n GLN 411 N -5.19 -0.20 -1.41 0.00 6.02 -1.25 -4.26 117.38 111.09 1lm1 n GLN 411 Ca 0.08 -2.56 -0.05 0.00 -0.01 0.00 0.00 57.00 54.46 1lm1 n GLN 411 Cb 0.32 -0.70 -0.02 0.00 1.02 0.00 0.00 30.24 30.85 1lm1 n GLN 411 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1lm1 n LYS 412 N -2.87 -1.42 -0.24 -1.09 4.76 -1.26 -4.73 118.16 111.31 1lm1 n LYS 412 Ca 0.16 0.30 0.03 0.00 -2.87 0.00 0.00 58.31 55.93 1lm1 n LYS 412 Cb 0.57 -4.49 0.13 0.00 -1.84 0.00 0.00 35.03 29.40 1lm1 n LYS 412 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 1lm1 h TYR 413 N 0.00 -0.11 0.00 2.13 -0.00 -1.81 -3.39 116.97 113.79 1lm1 h TYR 413 Ca -0.11 0.05 0.00 0.00 0.00 0.00 0.00 58.73 58.67 1lm1 h TYR 413 Cb 0.49 0.16 0.00 0.00 0.00 0.00 0.00 36.73 37.38 1lm1 h TYR 413 CO 0.28 -0.24 0.00 -2.30 -0.00 0.00 0.00 178.16 175.90 1lm1 n PRO 414 N -5.35 0.00 0.00 0.10 -0.02 -1.26 -4.39 135.00 124.08 1lm1 n PRO 414 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1lm1 n PRO 414 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 1lm1 n PRO 414 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1lm1 n TYR 415 N -0.19 0.00 0.89 6.00 0.18 -1.26 0.82 117.16 123.60 1lm1 n TYR 415 Ca 0.00 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.91 1lm1 n TYR 415 Cb 0.00 0.00 0.56 0.00 -0.38 0.00 0.00 39.34 39.52 1lm1 n TYR 415 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1lm1 n GLY 416 N 0.00 -1.52 0.11 -7.48 0.00 -1.26 -2.81 105.19 92.22 1lm1 n GLY 416 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1lm1 n GLY 416 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1lm1 h GLU 417 N 0.00 0.23 0.00 1.61 4.81 3.25 -3.23 114.58 121.25 1lm1 h GLU 417 Ca 0.00 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1lm1 h GLU 417 Cb 0.54 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1lm1 h GLU 417 CO 0.00 0.92 -1.21 -2.67 -0.73 0.00 0.00 179.01 175.32 1lm1 n TRP 418 N -4.47 0.83 0.16 0.92 4.27 1.57 -3.35 117.44 117.38 1lm1 n TRP 418 Ca -0.09 0.25 -0.13 0.00 -3.89 0.00 0.00 57.50 53.63 1lm1 n TRP 418 Cb 0.51 -0.92 -0.08 0.00 -1.36 0.00 0.00 31.31 29.46 1lm1 n TRP 418 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 1lm1 h ILE 419 N 0.00 0.69 -0.76 -1.67 2.04 -1.63 -1.20 117.51 114.98 1lm1 h ILE 419 Ca -0.03 -0.53 0.12 0.00 1.00 0.00 0.00 64.86 65.42 1lm1 h ILE 419 Cb 1.09 0.96 -0.13 0.00 -0.74 0.00 0.00 36.82 38.01 1lm1 h ILE 419 CO 0.01 0.10 -0.37 0.11 0.00 0.00 0.00 178.15 178.00 1lm1 h LYS 420 N -0.73 -0.10 0.00 2.37 1.57 -1.70 -2.20 116.57 115.78 1lm1 h LYS 420 Ca -0.04 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1lm1 h LYS 420 Cb 0.49 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1lm1 h LYS 420 CO 0.07 -0.06 0.00 0.82 -0.57 0.00 0.00 179.45 179.71 1lm1 h ILE 421 N -0.10 0.00 0.00 1.86 2.04 -1.49 -3.52 117.51 116.30 1lm1 h ILE 421 Ca 0.27 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1lm1 h ILE 421 Cb 0.57 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1lm1 h ILE 421 CO -0.81 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.34 1lm1 n GLN 422 N -2.46 0.00 0.00 2.37 10.64 -0.48 -5.08 117.38 122.37 1lm1 n GLN 422 Ca 0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1lm1 n GLN 422 Cb 0.24 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.62 1lm1 n GLN 422 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1lm1 n ASP 439 N 0.00 0.00 -0.54 2.61 9.92 -1.26 -5.09 116.55 122.20 1lm1 n ASP 439 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1lm1 n ASP 439 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1lm1 n ASP 439 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1lm1 n ALA 440 N 0.00 0.00 -2.88 2.24 0.00 -1.26 -5.03 120.51 113.59 1lm1 n ALA 440 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1lm1 n ALA 440 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1lm1 n ALA 440 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1lm1 n GLN 441 N 0.00 2.52 0.03 0.00 3.00 -1.26 -4.60 117.38 117.07 1lm1 n GLN 441 Ca 0.00 -4.28 -0.03 0.00 -0.01 0.00 0.00 57.00 52.68 1lm1 n GLN 441 Cb 0.00 -2.01 -0.09 0.00 0.00 0.00 0.00 30.24 28.13 1lm1 n GLN 441 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1lm1 h THR 442 N 2.43 0.72 -1.04 5.09 2.02 -1.98 -3.32 112.91 116.84 1lm1 h THR 442 Ca 0.13 -2.33 0.28 0.00 0.77 0.00 0.00 66.41 65.26 1lm1 h THR 442 Cb 0.77 2.24 -0.12 0.00 -1.74 0.00 0.00 68.15 69.30 1lm1 h THR 442 CO 0.72 0.41 0.63 0.58 0.37 0.00 0.00 175.52 178.23 1lm1 h VAL 443 N 0.00 0.47 -0.06 3.16 2.07 -1.99 2.74 116.25 122.63 1lm1 h VAL 443 Ca -0.17 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1lm1 h VAL 443 Cb 1.71 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1lm1 h VAL 443 CO 0.06 0.08 0.14 0.25 0.02 0.00 0.00 177.57 178.13 1lm1 h LEU 444 N 0.45 0.00 0.00 2.57 7.12 -1.93 -2.69 115.31 120.83 1lm1 h LEU 444 Ca 0.65 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.66 1lm1 h LEU 444 Cb 1.48 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.61 1lm1 h LEU 444 CO -0.43 0.00 -0.51 0.00 -0.13 0.00 0.00 178.44 177.37 1lm1 n GLN 445 N -3.36 2.64 -0.05 1.25 6.02 0.88 -3.59 117.38 121.18 1lm1 n GLN 445 Ca -0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.92 1lm1 n GLN 445 Cb 0.23 -0.71 -0.04 0.00 1.02 0.00 0.00 30.24 30.73 1lm1 n GLN 445 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1lm1 h GLN 446 N 0.00 -0.17 -0.79 -1.09 1.08 -0.55 -1.09 115.11 112.50 1lm1 h GLN 446 Ca 0.00 0.01 0.26 0.00 -1.45 0.00 0.00 58.65 57.47 1lm1 h GLN 446 Cb 0.00 0.04 -0.15 0.00 -0.05 0.00 0.00 27.48 27.32 1lm1 h GLN 446 CO 0.00 -0.11 0.16 1.04 -0.95 0.00 0.00 178.83 178.97 1lm1 n GLN 447 N -3.78 -0.06 -0.06 1.46 6.02 -1.01 0.08 117.38 120.03 1lm1 n GLN 447 Ca -0.02 1.15 -0.08 0.00 -0.01 0.00 0.00 57.00 58.05 1lm1 n GLN 447 Cb 0.14 -1.92 0.08 0.00 1.02 0.00 0.00 30.24 29.57 1lm1 n GLN 447 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lm1 h ALA 448 N 1.59 0.83 0.03 -1.58 0.00 -1.36 -0.30 119.26 118.46 1lm1 h ALA 448 Ca 0.55 -0.41 -0.32 0.00 0.00 0.00 0.00 54.91 54.73 1lm1 h ALA 448 Cb 1.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1lm1 h ALA 448 CO -0.70 0.64 -1.85 0.00 0.00 0.00 0.00 179.25 177.34 1lm1 n ALA 449 N -2.51 1.35 0.88 0.00 0.00 0.11 -3.00 120.51 117.35 1lm1 n ALA 449 Ca -0.01 -0.78 0.08 0.00 0.00 0.00 0.00 53.44 52.73 1lm1 n ALA 449 Cb 0.48 -0.74 0.43 0.00 0.00 0.00 0.00 19.45 19.62 1lm1 n ALA 449 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1lm1 n PHE 450 N -3.13 0.00 -0.30 0.00 3.01 -0.19 -4.37 117.46 112.48 1lm1 n PHE 450 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.24 1lm1 n PHE 450 Cb 1.06 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 40.43 1lm1 n PHE 450 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1lm1 n GLY 451 N -0.03 0.84 3.72 1.37 0.00 -1.16 -4.64 105.19 105.29 1lm1 n GLY 451 Ca 0.10 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1lm1 n GLY 451 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lm1 s TYR 452 N -2.00 2.06 0.14 1.61 1.51 -0.13 -4.94 117.35 115.59 1lm1 s TYR 452 Ca 0.00 1.61 0.01 0.00 -1.01 0.00 0.00 57.07 57.68 1lm1 s TYR 452 Cb 0.00 -3.43 -0.04 0.00 -0.11 0.00 0.00 41.96 38.37 1lm1 s TYR 452 CO 0.00 -2.56 0.00 0.99 -1.11 0.00 0.00 175.55 172.88 1lm1 s THR 453 N -2.09 0.51 0.23 -0.71 2.01 -1.26 -4.62 115.64 109.71 1lm1 s THR 453 Ca 0.73 -1.94 -0.07 0.00 0.31 0.00 0.00 61.69 60.72 1lm1 s THR 453 Cb -0.28 -2.00 0.18 0.00 0.01 0.00 0.00 72.50 70.41 1lm1 s THR 453 CO 0.46 -0.57 1.75 0.00 -0.69 0.00 0.00 174.62 175.58 1lm1 h ALA 454 N 2.81 0.95 -0.54 7.40 0.00 -1.18 -1.59 119.26 127.11 1lm1 h ALA 454 Ca -0.36 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1lm1 h ALA 454 Cb 1.19 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1lm1 h ALA 454 CO 0.62 -0.13 -0.02 0.93 0.00 0.00 0.00 179.25 180.65 1lm1 h GLU 455 N 0.50 0.94 -0.91 0.00 5.08 -1.90 -0.16 114.58 118.13 1lm1 h GLU 455 Ca 0.36 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1lm1 h GLU 455 Cb 0.45 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 1lm1 h GLU 455 CO -0.32 0.94 0.58 -0.44 -1.00 0.00 0.00 179.01 178.78 1lm1 h ASP 456 N 0.86 0.95 0.10 1.42 3.32 -1.69 0.21 116.42 121.60 1lm1 h ASP 456 Ca 0.16 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.90 1lm1 h ASP 456 Cb 0.53 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1lm1 h ASP 456 CO 0.03 0.64 -1.63 1.62 -1.72 0.00 0.00 179.24 178.17 1lm1 h VAL 457 N 1.11 0.84 0.05 -1.35 3.04 -1.31 -1.12 116.25 117.51 1lm1 h VAL 457 Ca 0.38 -2.34 -0.00 0.00 -1.01 0.00 0.00 66.70 63.72 1lm1 h VAL 457 Cb 0.07 2.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1lm1 h VAL 457 CO -0.14 0.72 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.78 1lm1 h GLU 458 N -0.26 -0.07 0.00 4.17 5.08 -0.99 0.30 114.58 122.80 1lm1 h GLU 458 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1lm1 h GLU 458 Cb 1.80 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.07 1lm1 h GLU 458 CO 0.03 0.21 -0.82 -1.33 -1.00 0.00 0.00 179.01 176.10 1lm1 n MET 459 N -4.99 0.22 0.00 2.33 2.81 0.73 -4.18 117.12 114.04 1lm1 n MET 459 Ca -0.08 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1lm1 n MET 459 Cb 0.17 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 1lm1 n MET 459 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1lm1 n VAL 460 N -1.90 0.00 0.00 2.03 0.31 -1.15 -4.70 118.33 112.93 1lm1 n VAL 460 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 1lm1 n VAL 460 Cb 0.41 -0.71 -0.05 0.00 -0.91 0.00 0.00 33.84 32.59 1lm1 n VAL 460 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1lm1 h VAL 461 N 0.00 0.95 0.18 2.52 2.07 -1.09 -2.19 116.25 118.69 1lm1 h VAL 461 Ca 0.00 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1lm1 h VAL 461 Cb 0.00 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1lm1 h VAL 461 CO 0.00 0.01 -0.37 0.58 0.02 0.00 0.00 177.57 177.81 1lm1 h VAL 462 N 0.05 0.24 -0.82 2.57 2.07 -1.13 -0.40 116.25 118.83 1lm1 h VAL 462 Ca 0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.69 1lm1 h VAL 462 Cb 0.04 0.24 -0.09 0.00 -1.52 0.00 0.00 31.29 29.97 1lm1 h VAL 462 CO -0.06 0.00 0.43 -0.65 0.02 0.00 0.00 177.57 177.30 1lm1 h PRO 463 N -0.63 0.62 -0.64 1.57 0.11 -1.71 0.44 132.00 131.76 1lm1 h PRO 463 Ca 0.01 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1lm1 h PRO 463 Cb 0.64 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 1lm1 h PRO 463 CO -0.18 0.41 0.40 0.52 -0.21 0.00 0.00 178.00 178.95 1lm1 h MET 464 N 0.64 0.86 0.07 1.05 2.86 -0.69 -0.16 114.93 119.56 1lm1 h MET 464 Ca 0.43 -0.06 -0.26 0.00 -2.06 0.00 0.00 59.70 57.75 1lm1 h MET 464 Cb 0.56 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1lm1 h MET 464 CO -0.33 0.59 -1.29 0.00 1.06 0.00 0.00 176.91 176.93 1lm1 h ALA 465 N 1.57 0.29 0.12 6.32 0.00 0.77 0.18 119.26 128.51 1lm1 h ALA 465 Ca 0.23 -1.01 -0.33 0.00 0.00 0.00 0.00 54.91 53.80 1lm1 h ALA 465 Cb -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1lm1 h ALA 465 CO -0.05 1.17 -1.70 0.66 0.00 0.00 0.00 179.25 179.34 1lm1 h SER 466 N 0.04 0.39 0.00 0.00 4.64 0.09 -3.39 113.55 115.32 1lm1 h SER 466 Ca -0.14 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.55 1lm1 h SER 466 Cb 1.92 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1lm1 h SER 466 CO 0.16 1.55 -0.88 0.00 -0.87 0.00 0.00 176.83 176.78 1lm1 n GLN 467 N -3.43 1.76 -2.03 4.77 6.02 -0.10 -5.00 117.38 119.36 1lm1 n GLN 467 Ca -0.21 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.63 1lm1 n GLN 467 Cb 1.05 -1.24 -0.02 0.00 1.02 0.00 0.00 30.24 31.06 1lm1 n GLN 467 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1lm1 n GLY 468 N 1.40 0.20 2.95 1.08 0.00 0.62 -5.02 105.19 106.43 1lm1 n GLY 468 Ca 0.02 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 1lm1 n GLY 468 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lm1 s LYS 469 N -4.25 0.11 0.74 1.61 1.02 -1.25 -4.29 119.74 113.43 1lm1 s LYS 469 Ca 0.00 0.26 -0.15 0.00 0.02 0.00 0.00 55.97 56.10 1lm1 s LYS 469 Cb 0.00 -0.06 0.04 0.00 -0.52 0.00 0.00 37.83 37.28 1lm1 s LYS 469 CO 0.00 -0.09 1.16 -0.85 -0.92 0.00 0.00 175.35 174.64 1lm1 n GLU 470 N 3.62 0.52 -2.13 1.68 0.28 -1.26 -3.87 120.64 119.49 1lm1 n GLU 470 Ca -0.20 0.24 -0.40 0.00 -0.16 0.00 0.00 57.16 56.65 1lm1 n GLU 470 Cb 0.55 -2.40 -0.02 0.00 1.43 0.00 0.00 31.44 31.01 1lm1 n GLU 470 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1lm1 s PRO 471 N -3.69 4.24 0.53 3.44 0.04 -1.26 -4.95 135.00 133.34 1lm1 s PRO 471 Ca 0.76 2.15 -0.15 0.00 0.04 0.00 0.00 61.00 63.80 1lm1 s PRO 471 Cb -0.33 -2.96 -0.07 0.00 0.04 0.00 0.00 34.50 31.18 1lm1 s PRO 471 CO 0.48 -0.26 0.98 0.99 0.04 0.00 0.00 177.00 179.22 1lm1 s THR 472 N -1.20 4.58 0.00 1.26 2.01 -1.26 -1.97 115.64 119.05 1lm1 s THR 472 Ca 0.52 1.13 0.00 0.00 0.31 0.00 0.00 61.69 63.64 1lm1 s THR 472 Cb -0.38 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1lm1 s THR 472 CO 0.50 -0.75 0.00 0.33 -0.69 0.00 0.00 174.62 174.01 1lm1 n PHE 473 N -1.75 -0.74 -4.12 4.92 7.35 0.92 -4.69 117.46 119.35 1lm1 n PHE 473 Ca 0.06 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.64 1lm1 n PHE 473 Cb 0.54 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.29 1lm1 n PHE 473 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1lm1 n MET 475 N -0.36 -1.60 -3.17 0.00 2.81 0.15 -4.88 117.12 110.07 1lm1 n MET 475 Ca 0.01 1.11 -0.18 0.00 -1.81 0.00 0.00 57.70 56.83 1lm1 n MET 475 Cb 0.64 -2.02 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1lm1 n MET 475 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1lm1 s GLY 476 N -4.64 1.93 -0.63 3.03 0.00 -1.23 -4.31 107.32 101.47 1lm1 s GLY 476 Ca 0.00 -1.67 -0.26 0.00 0.00 0.00 0.00 44.72 42.79 1lm1 s GLY 476 CO 0.00 -1.51 2.35 -0.35 0.00 0.00 0.00 173.10 173.59 1lm1 s ASP 477 N -4.29 4.31 0.27 1.64 2.15 -1.16 -4.78 116.67 114.82 1lm1 s ASP 477 Ca 0.52 0.56 0.25 0.00 0.43 0.00 0.00 52.55 54.31 1lm1 s ASP 477 Cb -0.09 -2.52 0.89 0.00 -0.30 0.00 0.00 42.92 40.90 1lm1 s ASP 477 CO 0.32 -3.23 1.75 -0.78 -0.17 0.00 0.00 175.17 173.07 1lm1 h ASP 478 N 16.31 0.00 -1.53 -0.34 1.82 -1.92 -3.44 116.42 127.32 1lm1 h ASP 478 Ca -0.13 0.00 -0.43 0.00 -0.39 0.00 0.00 57.03 56.07 1lm1 h ASP 478 Cb 1.15 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.17 1lm1 h ASP 478 CO 1.11 0.00 -0.29 0.42 -1.61 0.00 0.00 179.24 178.87 1lm1 s THR 479 N -3.24 3.18 0.75 2.25 -4.23 -1.26 -1.99 115.64 111.10 1lm1 s THR 479 Ca 0.07 -1.04 -0.11 0.00 -1.18 0.00 0.00 61.69 59.43 1lm1 s THR 479 Cb 0.10 -3.08 0.04 0.00 1.34 0.00 0.00 72.50 70.90 1lm1 s THR 479 CO 0.51 -0.03 1.08 -2.84 -0.54 0.00 0.00 174.62 172.80 1lm1 s PRO 480 N -4.29 2.47 0.18 3.99 0.02 -1.26 -4.93 135.00 131.17 1lm1 s PRO 480 Ca 0.52 1.06 -0.30 0.00 0.02 0.00 0.00 61.00 62.30 1lm1 s PRO 480 Cb -0.09 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.41 1lm1 s PRO 480 CO 0.32 -1.46 1.36 -0.51 -0.33 0.00 0.00 177.00 176.38 1lm1 s LEU 481 N -5.79 4.40 0.07 -5.54 1.43 -1.14 -4.67 118.68 107.45 1lm1 s LEU 481 Ca 0.60 2.41 -0.02 0.00 -1.03 0.00 0.00 54.13 56.10 1lm1 s LEU 481 Cb -0.16 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.59 1lm1 s LEU 481 CO 0.56 -0.60 0.40 0.00 0.23 0.00 0.00 176.35 176.94 1lm1 n ALA 482 N 3.08 0.07 0.19 4.21 0.00 -1.26 0.34 120.51 127.13 1lm1 n ALA 482 Ca 0.08 0.28 0.06 0.00 0.00 0.00 0.00 53.44 53.86 1lm1 n ALA 482 Cb 0.42 -0.17 0.29 0.00 0.00 0.00 0.00 19.45 19.99 1lm1 n ALA 482 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1lm1 h VAL 483 N 0.00 0.77 0.00 0.00 3.04 -1.89 -3.12 116.25 115.05 1lm1 h VAL 483 Ca 0.13 -1.57 0.00 0.00 -1.01 0.00 0.00 66.70 64.25 1lm1 h VAL 483 Cb 0.21 2.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 1lm1 h VAL 483 CO -0.26 0.35 -1.04 0.18 -1.01 0.00 0.00 177.57 175.79 1lm1 n LEU 484 N -3.41 0.68 -4.88 3.16 4.77 1.03 -4.68 117.00 113.67 1lm1 n LEU 484 Ca 0.00 -0.20 -0.30 0.00 -0.03 0.00 0.00 56.01 55.49 1lm1 n LEU 484 Cb 0.54 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1lm1 n LEU 484 CO 0.37 0.13 0.72 -0.55 -1.33 0.00 0.00 177.39 176.73 1lm1 s SER 485 N -3.50 5.75 0.02 -1.43 0.15 -0.72 -4.77 113.70 109.19 1lm1 s SER 485 Ca 0.05 1.20 0.21 0.00 0.70 0.00 0.00 55.95 58.11 1lm1 s SER 485 Cb 0.15 -2.11 -0.22 0.00 -1.71 0.00 0.00 66.02 62.13 1lm1 s SER 485 CO 0.82 -1.14 0.61 1.41 1.20 0.00 0.00 173.24 176.14 1lm1 n HIS 486 N -2.87 0.35 -2.44 3.44 8.25 -1.26 -4.63 115.22 116.05 1lm1 n HIS 486 Ca 0.06 0.11 -0.37 0.00 -0.26 0.00 0.00 57.72 57.26 1lm1 n HIS 486 Cb 0.56 -0.74 -0.03 0.00 1.12 0.00 0.00 29.99 30.90 1lm1 n HIS 486 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1lm1 s LYS 487 N -3.30 4.11 0.68 -0.41 -0.14 -1.26 -4.99 119.74 114.44 1lm1 s LYS 487 Ca -0.06 1.65 -0.17 0.00 -1.36 0.00 0.00 55.97 56.03 1lm1 s LYS 487 Cb 0.11 -2.60 -0.00 0.00 -1.68 0.00 0.00 37.83 33.66 1lm1 s LYS 487 CO 0.86 -0.22 1.10 -0.35 -0.76 0.00 0.00 175.35 175.99 1lm1 n PRO 488 N -0.00 0.76 -3.94 -1.68 -0.04 -1.26 -5.01 135.00 123.83 1lm1 n PRO 488 Ca 0.05 0.32 -0.08 0.00 -0.04 0.00 0.00 63.50 63.74 1lm1 n PRO 488 Cb 0.48 -2.34 -0.08 0.00 -0.04 0.00 0.00 33.50 31.52 1lm1 n PRO 488 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1lm1 s ARG 489 N -3.31 0.82 0.53 0.54 1.81 -1.26 -5.12 118.95 112.95 1lm1 s ARG 489 Ca 0.77 -1.07 -0.11 0.00 -1.72 0.00 0.00 55.73 53.60 1lm1 s ARG 489 Cb -0.37 0.31 -0.05 0.00 -0.45 0.00 0.00 34.95 34.39 1lm1 s ARG 489 CO 0.46 -0.24 0.93 -0.51 -0.68 0.00 0.00 175.30 175.26 1lm1 s LEU 490 N -2.89 3.51 0.36 2.53 1.43 -1.26 -4.87 118.68 117.48 1lm1 s LEU 490 Ca 0.07 1.32 0.06 0.00 -1.03 0.00 0.00 54.13 54.55 1lm1 s LEU 490 Cb 0.06 -4.29 0.69 0.00 0.03 0.00 0.00 46.19 42.67 1lm1 s LEU 490 CO -0.09 -0.66 1.90 0.25 0.23 0.00 0.00 176.35 177.98 1lm1 h LEU 491 N 0.37 0.40 -1.92 1.79 5.85 -2.01 -1.69 115.31 118.10 1lm1 h LEU 491 Ca -0.46 -0.07 0.19 0.00 0.84 0.00 0.00 57.88 58.38 1lm1 h LEU 491 Cb 1.19 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1lm1 h LEU 491 CO 0.62 0.48 0.48 1.88 -0.34 0.00 0.00 178.44 181.57 1lm1 h TYR 492 N 0.41 0.09 0.00 1.25 -1.99 -1.95 -2.48 116.97 112.30 1lm1 h TYR 492 Ca 0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.82 1lm1 h TYR 492 Cb 0.31 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.01 1lm1 h TYR 492 CO 0.01 0.03 0.00 -0.25 -0.00 0.00 0.00 178.16 177.95 1lm1 n ASP 493 N -4.37 0.00 0.02 3.88 8.00 -0.64 -2.19 116.55 121.26 1lm1 n ASP 493 Ca 0.13 -0.21 0.11 0.00 0.71 0.00 0.00 54.79 55.53 1lm1 n ASP 493 Cb 0.70 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1lm1 n ASP 493 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1lm1 n TYR 494 N -1.25 0.21 -3.50 1.24 4.02 -0.93 -4.51 117.16 112.44 1lm1 n TYR 494 Ca 0.14 0.06 -0.38 0.00 -0.01 0.00 0.00 57.90 57.71 1lm1 n TYR 494 Cb 0.21 -0.38 -0.10 0.00 -0.02 0.00 0.00 39.34 39.05 1lm1 n TYR 494 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1lm1 s PHE 495 N -3.19 3.26 -0.09 -0.72 0.40 -0.93 -0.42 117.98 116.30 1lm1 s PHE 495 Ca 0.04 0.31 -0.03 0.00 -0.60 0.00 0.00 56.93 56.64 1lm1 s PHE 495 Cb 0.15 -2.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 1lm1 s PHE 495 CO 0.81 -0.14 0.06 0.15 0.70 0.00 0.00 175.22 176.80 1lm1 s LYS 496 N 1.73 3.14 0.35 0.44 -0.14 -0.27 -4.92 119.74 120.07 1lm1 s LYS 496 Ca 0.12 -0.32 -0.27 0.00 -1.36 0.00 0.00 55.97 54.14 1lm1 s LYS 496 Cb -0.15 -2.93 -0.09 0.00 -1.68 0.00 0.00 37.83 32.97 1lm1 s LYS 496 CO 0.09 0.72 1.16 -0.65 -0.76 0.00 0.00 175.35 175.91 1lm1 s GLN 497 N -1.03 4.28 0.32 1.68 -0.21 0.27 -0.55 119.66 124.43 1lm1 s GLN 497 Ca 0.15 1.85 -0.07 0.00 0.02 0.00 0.00 55.36 57.30 1lm1 s GLN 497 Cb -0.12 -2.87 -0.06 0.00 1.00 0.00 0.00 33.01 30.97 1lm1 s GLN 497 CO 0.04 -0.12 0.63 1.03 -2.12 0.00 0.00 175.29 174.75 1lm1 s ARG 498 N -1.99 3.70 0.17 2.91 0.52 -0.57 -3.14 118.95 120.54 1lm1 s ARG 498 Ca 0.52 0.19 -0.09 0.00 -0.52 0.00 0.00 55.73 55.83 1lm1 s ARG 498 Cb -0.31 -2.56 -0.01 0.00 0.52 0.00 0.00 34.95 32.59 1lm1 s ARG 498 CO 0.40 0.14 0.30 -0.59 0.02 0.00 0.00 175.30 175.57 1lm1 s PHE 499 N -2.15 0.37 0.15 -0.53 -0.12 -1.26 -4.66 117.98 109.78 1lm1 s PHE 499 Ca 0.47 -0.73 -0.28 0.00 -0.05 0.00 0.00 56.93 56.34 1lm1 s PHE 499 Cb -0.11 -0.03 -0.07 0.00 -0.63 0.00 0.00 43.02 42.18 1lm1 s PHE 499 CO 0.29 -0.74 0.87 0.00 -0.05 0.00 0.00 175.22 175.60 1lm1 s ALA 500 N -3.96 3.35 0.00 1.99 0.00 0.93 -4.89 121.76 119.17 1lm1 s ALA 500 Ca 0.17 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1lm1 s ALA 500 Cb 0.03 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1lm1 s ALA 500 CO 0.00 0.15 0.00 1.04 0.00 0.00 0.00 175.76 176.95 1lm1 n GLN 501 N 2.08 0.00 -0.10 0.00 6.02 -1.21 -4.58 117.38 119.57 1lm1 n GLN 501 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.84 1lm1 n GLN 501 Cb 0.49 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.60 1lm1 n GLN 501 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1lm1 n VAL 502 N 0.00 1.44 0.21 5.09 0.31 -1.26 -4.31 118.33 119.80 1lm1 n VAL 502 Ca 0.00 -0.76 0.05 0.00 -0.01 0.00 0.00 64.34 63.62 1lm1 n VAL 502 Cb 0.00 -0.80 0.52 0.00 -0.91 0.00 0.00 33.84 32.64 1lm1 n VAL 502 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1lm1 h THR 503 N 0.00 1.10 -3.48 2.52 2.02 -1.91 -3.23 112.91 109.94 1lm1 h THR 503 Ca -0.55 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 1lm1 h THR 503 Cb 2.13 1.19 -0.11 0.00 -1.74 0.00 0.00 68.15 69.61 1lm1 h THR 503 CO -0.00 0.14 -0.09 0.54 0.37 0.00 0.00 175.52 176.48 1lm1 s ASN 504 N -6.99 -0.17 0.19 4.18 4.22 -1.26 -4.54 114.94 110.58 1lm1 s ASN 504 Ca -0.05 -0.55 -0.01 0.00 -2.14 0.00 0.00 52.86 50.11 1lm1 s ASN 504 Cb 0.16 0.52 -0.04 0.00 1.28 0.00 0.00 41.25 43.16 1lm1 s ASN 504 CO 0.70 -0.97 0.39 -2.16 -2.04 0.00 0.00 177.10 173.02 1lm1 s PRO 505 N -3.88 3.53 0.81 3.55 0.04 -1.26 -3.33 135.00 134.46 1lm1 s PRO 505 Ca 0.10 -0.30 -0.11 0.00 0.04 0.00 0.00 61.00 60.72 1lm1 s PRO 505 Cb 0.01 -2.84 0.07 0.00 0.04 0.00 0.00 34.50 31.78 1lm1 s PRO 505 CO -0.04 0.41 1.09 -2.14 0.04 0.00 0.00 177.00 176.36 1lm1 s PRO 506 N -3.22 2.01 0.31 0.56 0.02 -1.26 -3.32 135.00 130.10 1lm1 s PRO 506 Ca 0.39 0.69 0.10 0.00 0.02 0.00 0.00 61.00 62.20 1lm1 s PRO 506 Cb -0.11 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 1lm1 s PRO 506 CO 0.28 -1.68 -0.07 0.96 -0.33 0.00 0.00 177.00 176.16 1lm1 s ILE 507 N -3.11 2.67 -0.45 2.83 -4.36 -1.01 -4.16 121.20 113.60 1lm1 s ILE 507 Ca 0.61 -2.13 -0.26 0.00 -0.26 0.00 0.00 60.65 58.61 1lm1 s ILE 507 Cb -0.15 -2.64 0.03 0.00 1.25 0.00 0.00 42.46 40.95 1lm1 s ILE 507 CO 0.55 -0.29 0.97 -0.62 0.24 0.00 0.00 174.94 175.79 1lm1 s ASP 508 N -3.63 6.55 0.38 4.36 -1.08 -1.26 -4.68 116.67 117.31 1lm1 s ASP 508 Ca 0.32 0.26 0.20 0.00 -0.52 0.00 0.00 52.55 52.81 1lm1 s ASP 508 Cb -0.02 -2.47 0.31 0.00 -1.46 0.00 0.00 42.92 39.27 1lm1 s ASP 508 CO 0.18 -1.07 1.57 1.55 0.52 0.00 0.00 175.17 177.92 1lm1 h PRO 509 N 9.02 0.00 0.00 4.34 0.13 -1.90 -1.08 132.00 142.51 1lm1 h PRO 509 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1lm1 h PRO 509 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1lm1 h PRO 509 CO 1.04 0.22 -0.31 1.28 -0.23 0.00 0.00 178.00 180.00 1lm1 n LEU 510 N -3.17 1.12 0.01 1.56 4.77 -1.26 -2.97 117.00 117.06 1lm1 n LEU 510 Ca 0.03 0.49 0.01 0.00 -0.03 0.00 0.00 56.01 56.50 1lm1 n LEU 510 Cb 0.60 -0.73 0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1lm1 n LEU 510 CO 0.36 -0.49 0.52 0.54 -1.33 0.00 0.00 177.39 176.99 1lm1 n ARG 511 N -3.72 0.01 -1.31 3.23 3.00 -1.26 -2.51 116.66 114.10 1lm1 n ARG 511 Ca -0.04 0.49 0.02 0.00 -0.01 0.00 0.00 57.85 58.31 1lm1 n ARG 511 Cb 0.16 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.09 1lm1 n ARG 511 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1lm1 n GLU 512 N -1.52 0.00 0.06 5.56 1.02 -0.41 -4.77 120.64 120.58 1lm1 n GLU 512 Ca -0.00 -1.72 0.19 0.00 -0.02 0.00 0.00 57.16 55.61 1lm1 n GLU 512 Cb 0.02 0.02 0.71 0.00 -0.02 0.00 0.00 31.44 32.17 1lm1 n GLU 512 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1lm1 h ASN 513 N 0.74 0.00 0.00 1.62 -1.24 -1.38 -3.03 115.58 112.29 1lm1 h ASN 513 Ca -0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.76 1lm1 h ASN 513 Cb 1.76 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.81 1lm1 h ASN 513 CO 0.03 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.17 1lm1 n LEU 514 N -4.25 0.20 0.00 0.34 -0.00 -1.26 -0.62 117.00 111.41 1lm1 n LEU 514 Ca 0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1lm1 n LEU 514 Cb 0.52 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1lm1 n LEU 514 CO 0.34 0.05 0.01 0.52 -0.00 0.00 0.00 177.39 178.31 1lm1 n VAL 515 N 0.07 0.00 -3.06 1.47 0.31 -1.14 -4.87 118.33 111.12 1lm1 n VAL 515 Ca 0.00 -0.26 -0.19 0.00 -0.01 0.00 0.00 64.34 63.88 1lm1 n VAL 515 Cb 0.05 1.04 0.05 0.00 -0.91 0.00 0.00 33.84 34.07 1lm1 n VAL 515 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1lm1 s MET 516 N -0.48 2.36 -0.19 5.55 -1.94 0.21 -4.78 119.30 120.04 1lm1 s MET 516 Ca 0.00 -1.61 -0.29 0.00 -1.71 0.00 0.00 55.69 52.08 1lm1 s MET 516 Cb 0.00 -2.65 0.13 0.00 2.01 0.00 0.00 34.83 34.32 1lm1 s MET 516 CO 0.00 -0.79 1.02 0.45 -0.01 0.00 0.00 175.02 175.69 1lm1 s SER 517 N -4.62 -0.37 -0.12 3.03 0.15 -0.96 -4.96 113.70 105.85 1lm1 s SER 517 Ca 0.60 0.48 0.15 0.00 0.70 0.00 0.00 55.95 57.89 1lm1 s SER 517 Cb -0.06 0.41 0.55 0.00 -1.71 0.00 0.00 66.02 65.21 1lm1 s SER 517 CO 0.38 -0.29 1.46 0.18 1.20 0.00 0.00 173.24 176.17 1lm1 n LEU 518 N 1.05 4.01 -4.35 3.45 4.32 -1.26 -2.15 117.00 122.08 1lm1 n LEU 518 Ca -0.10 -2.58 -0.33 0.00 -0.02 0.00 0.00 56.01 52.97 1lm1 n LEU 518 Cb 0.57 -0.48 0.11 0.00 -1.62 0.00 0.00 43.42 42.00 1lm1 n LEU 518 CO 0.13 0.73 -0.28 0.00 -1.22 0.00 0.00 177.39 176.74 1lm1 n ALA 519 N 0.31 -3.06 -3.62 -1.18 0.00 -1.20 -3.53 120.51 108.24 1lm1 n ALA 519 Ca 0.20 -0.62 -0.04 0.00 0.00 0.00 0.00 53.44 52.99 1lm1 n ALA 519 Cb 0.79 -1.69 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 1lm1 n ALA 519 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1lm1 s MET 520 N -3.37 0.55 -0.22 0.00 -1.94 -0.85 -4.29 119.30 109.18 1lm1 s MET 520 Ca 0.54 1.09 -0.10 0.00 -1.71 0.00 0.00 55.69 55.51 1lm1 s MET 520 Cb -0.21 0.33 -0.05 0.00 2.01 0.00 0.00 34.83 36.92 1lm1 s MET 520 CO 0.70 -0.14 0.13 -0.06 -0.01 0.00 0.00 175.02 175.64 1lm1 s PHE 521 N 1.96 3.33 -0.08 -0.03 0.40 -1.26 0.72 117.98 123.01 1lm1 s PHE 521 Ca -0.08 0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 56.37 1lm1 s PHE 521 Cb -0.06 -2.20 -0.29 0.00 0.51 0.00 0.00 43.02 40.98 1lm1 s PHE 521 CO -0.18 0.14 0.53 -0.07 0.70 0.00 0.00 175.22 176.34 1lm1 h LEU 522 N 7.13 0.52-10.25 -0.37 3.38 -1.95 -3.47 115.31 110.30 1lm1 h LEU 522 Ca -0.39 -0.94 -0.51 0.00 0.09 0.00 0.00 57.88 56.13 1lm1 h LEU 522 Cb 1.16 -0.17 0.20 0.00 0.09 0.00 0.00 40.66 41.94 1lm1 h LEU 522 CO 0.70 1.82 0.19 -0.83 0.09 0.00 0.00 178.44 180.40 1lm1 s GLY 523 N -5.34 1.67 0.37 0.83 0.00 -1.26 -4.10 107.32 99.49 1lm1 s GLY 523 Ca -0.19 0.50 -0.27 0.00 0.00 0.00 0.00 44.72 44.76 1lm1 s GLY 523 CO 0.82 0.97 1.32 -1.59 0.00 0.00 0.00 173.10 174.62 1lm1 s LYS 524 N -4.60 4.13 0.35 2.90 -2.85 -1.26 -4.74 119.74 113.66 1lm1 s LYS 524 Ca 0.67 2.22 -0.26 0.00 -1.00 0.00 0.00 55.97 57.61 1lm1 s LYS 524 Cb -0.23 -2.90 -0.09 0.00 -2.06 0.00 0.00 37.83 32.54 1lm1 s LYS 524 CO 0.59 -0.38 1.03 1.03 0.10 0.00 0.00 175.35 177.73 1lm1 s ARG 525 N -2.05 4.39 0.00 1.78 0.52 -1.07 -5.03 118.95 117.48 1lm1 s ARG 525 Ca 0.53 1.54 0.00 0.00 -0.52 0.00 0.00 55.73 57.28 1lm1 s ARG 525 Cb -0.40 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.30 1lm1 s ARG 525 CO 0.52 0.05 0.00 0.41 0.02 0.00 0.00 175.30 176.30 1lm1 n GLY 526 N 0.63 1.63 3.63 -3.53 0.00 -1.26 -4.81 105.19 101.47 1lm1 n GLY 526 Ca 0.03 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 1lm1 n GLY 526 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lm1 s ASN 527 N -1.00 6.51 0.54 1.61 0.01 -1.26 -4.92 114.94 116.43 1lm1 s ASN 527 Ca 0.00 1.46 0.24 0.00 -0.71 0.00 0.00 52.86 53.85 1lm1 s ASN 527 Cb 0.00 -2.54 1.52 0.00 0.41 0.00 0.00 41.25 40.64 1lm1 s ASN 527 CO 0.00 -1.17 2.16 0.25 -1.51 0.00 0.00 177.10 176.83 1lm1 h LEU 528 N 11.30 0.00 0.24 0.60 5.85 -1.95 -3.20 115.31 128.15 1lm1 h LEU 528 Ca -0.31 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.08 1lm1 h LEU 528 Cb 1.13 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.19 1lm1 h LEU 528 CO 1.01 0.05 -1.49 -0.07 -0.34 0.00 0.00 178.44 177.60 1lm1 h LEU 529 N 0.00 0.80 -7.86 2.25 3.38 -1.91 -3.42 115.31 108.55 1lm1 h LEU 529 Ca -0.00 -0.92 -0.74 0.00 0.09 0.00 0.00 57.88 56.30 1lm1 h LEU 529 Cb 0.11 -0.26 -0.29 0.00 0.09 0.00 0.00 40.66 40.31 1lm1 h LEU 529 CO 0.01 1.71 -0.21 -1.61 0.09 0.00 0.00 178.44 178.43 1lm1 s GLU 530 N -2.59 2.91 -0.79 1.13 0.41 -1.21 -5.00 118.70 113.57 1lm1 s GLU 530 Ca -0.10 -2.13 -0.26 0.00 -0.41 0.00 0.00 54.97 52.07 1lm1 s GLU 530 Cb 0.04 -4.09 -0.14 0.00 -1.78 0.00 0.00 34.13 28.16 1lm1 s GLU 530 CO 0.93 -1.24 2.41 -2.14 -0.49 0.00 0.00 175.26 174.73 1lm1 s PRO 531 N 0.73 1.58 -0.08 0.39 0.02 -1.26 -4.74 135.00 131.64 1lm1 s PRO 531 Ca 0.11 0.49 -0.04 0.00 0.02 0.00 0.00 61.00 61.58 1lm1 s PRO 531 Cb -0.21 -4.78 -0.04 0.00 0.02 0.00 0.00 34.50 29.49 1lm1 s PRO 531 CO -0.03 -4.49 0.12 0.15 -0.33 0.00 0.00 177.00 172.42 1lm1 s LYS 532 N 8.92 3.31 0.07 5.54 1.02 -1.26 -4.99 119.74 132.35 1lm1 s LYS 532 Ca 0.93 -0.26 0.09 0.00 0.02 0.00 0.00 55.97 56.74 1lm1 s LYS 532 Cb -0.13 -3.06 0.42 0.00 -0.52 0.00 0.00 37.83 34.54 1lm1 s LYS 532 CO 0.08 0.73 1.27 0.00 -0.92 0.00 0.00 175.35 176.51 1lm1 n ALA 533 N 1.69 1.21 -3.12 5.17 0.00 -1.26 -5.12 120.51 119.09 1lm1 n ALA 533 Ca -0.17 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 1lm1 n ALA 533 Cb 0.54 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 1lm1 n ALA 533 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1lm1 s GLU 534 N -3.12 2.79 0.00 0.00 -6.30 -1.26 -4.89 118.70 105.92 1lm1 s GLU 534 Ca 0.02 -1.45 0.00 0.00 -2.50 0.00 0.00 54.97 51.04 1lm1 s GLU 534 Cb 0.04 -3.98 0.00 0.00 0.00 0.00 0.00 34.13 30.19 1lm1 s GLU 534 CO 0.13 -1.03 0.00 1.17 0.02 0.00 0.00 175.26 175.55 1lm1 n LYS 540 N 5.07 0.00 -3.88 4.30 4.81 -1.26 -5.02 118.16 122.17 1lm1 n LYS 540 Ca -0.11 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.03 1lm1 n LYS 540 Cb 0.43 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.32 1lm1 n LYS 540 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1lm1 s LEU 541 N 0.00 2.32 0.40 3.14 2.96 0.22 -4.88 118.68 122.83 1lm1 s LEU 541 Ca 0.00 -1.16 0.20 0.00 -0.22 0.00 0.00 54.13 52.95 1lm1 s LEU 541 Cb 0.00 -1.05 1.17 0.00 0.50 0.00 0.00 46.19 46.81 1lm1 s LEU 541 CO 0.00 -0.27 1.72 -0.09 -1.32 0.00 0.00 176.35 176.39 1lm1 h ARG 542 N 8.01 0.31 -3.87 1.98 9.65 -1.89 -2.27 114.38 126.30 1lm1 h ARG 542 Ca -0.17 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.58 1lm1 h ARG 542 Cb 1.08 -0.07 -0.16 0.00 -1.39 0.00 0.00 29.97 29.43 1lm1 h ARG 542 CO 0.40 0.21 -0.50 0.45 2.80 0.00 0.00 179.97 183.33 1lm1 s SER 543 N -5.02 0.21 0.53 -3.80 0.15 -1.26 -3.21 113.70 101.31 1lm1 s SER 543 Ca -0.09 -0.65 0.36 0.00 0.70 0.00 0.00 55.95 56.27 1lm1 s SER 543 Cb 0.27 0.26 1.77 0.00 -1.71 0.00 0.00 66.02 66.61 1lm1 s SER 543 CO 0.80 -0.59 2.07 1.55 1.20 0.00 0.00 173.24 178.28 1lm1 h PRO 544 N 3.29 0.00 -5.97 5.44 0.13 -1.81 -3.41 132.00 129.68 1lm1 h PRO 544 Ca -0.33 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.23 1lm1 h PRO 544 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1lm1 h PRO 544 CO 0.55 0.00 0.01 -1.17 -0.23 0.00 0.00 178.00 177.16 1lm1 s LEU 545 N -5.70 4.33 -0.10 1.56 0.20 -1.26 0.68 118.68 118.39 1lm1 s LEU 545 Ca -0.02 1.09 -0.00 0.00 0.69 0.00 0.00 54.13 55.89 1lm1 s LEU 545 Cb 0.10 -2.95 0.02 0.00 -0.43 0.00 0.00 46.19 42.94 1lm1 s LEU 545 CO 0.41 -0.04 -0.07 0.68 -0.29 0.00 0.00 176.35 177.04 1lm1 s VAL 546 N 0.54 0.97 0.47 1.68 -7.23 0.24 -4.90 120.40 112.17 1lm1 s VAL 546 Ca 0.33 -0.27 -0.13 0.00 -1.81 0.00 0.00 61.98 60.11 1lm1 s VAL 546 Cb -0.17 -0.99 -0.07 0.00 0.56 0.00 0.00 36.38 35.71 1lm1 s VAL 546 CO 0.16 0.35 0.88 0.54 -0.31 0.00 0.00 175.10 176.73 1lm1 s ASN 547 N 1.62 6.52 0.22 4.85 2.20 -1.26 -4.11 114.94 124.99 1lm1 s ASN 547 Ca 0.03 1.32 -0.06 0.00 -0.94 0.00 0.00 52.86 53.22 1lm1 s ASN 547 Cb -0.13 -2.41 0.39 0.00 -2.00 0.00 0.00 41.25 37.10 1lm1 s ASN 547 CO -0.07 -0.53 1.24 -0.62 -2.94 0.00 0.00 177.10 174.19 1lm1 n GLU 548 N -1.61 -0.07 -0.10 3.55 -0.58 -1.26 0.17 120.64 120.74 1lm1 n GLU 548 Ca 0.04 1.24 -0.05 0.00 -0.42 0.00 0.00 57.16 57.97 1lm1 n GLU 548 Cb 0.54 -1.86 -0.04 0.00 -0.57 0.00 0.00 31.44 29.51 1lm1 n GLU 548 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1lm1 h VAL 549 N 0.00 0.00 -0.93 2.62 2.07 -1.99 -0.89 116.25 117.13 1lm1 h VAL 549 Ca 0.39 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.07 1lm1 h VAL 549 Cb 0.61 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.29 1lm1 h VAL 549 CO -0.81 0.00 0.53 -0.33 0.02 0.00 0.00 177.57 176.97 1lm1 h GLU 550 N -0.11 0.71 0.39 1.57 4.39 0.13 0.16 114.58 121.82 1lm1 h GLU 550 Ca 0.04 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1lm1 h GLU 550 Cb 0.23 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1lm1 h GLU 550 CO -0.31 0.47 -0.26 1.25 -1.16 0.00 0.00 179.01 178.99 1lm1 h LEU 551 N 0.73 -0.68 -1.00 1.33 5.85 -0.29 -1.57 115.31 119.67 1lm1 h LEU 551 Ca 0.51 0.04 0.20 0.00 0.84 0.00 0.00 57.88 59.47 1lm1 h LEU 551 Cb 0.72 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.85 1lm1 h LEU 551 CO -0.36 -0.39 0.61 -0.61 -0.34 0.00 0.00 178.44 177.35 1lm1 h GLN 552 N -0.62 0.72 -0.33 1.25 4.15 -0.84 -0.18 115.11 119.26 1lm1 h GLN 552 Ca -0.05 -0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.40 1lm1 h GLN 552 Cb 0.50 -0.16 -0.07 0.00 0.21 0.00 0.00 27.48 27.96 1lm1 h GLN 552 CO 0.04 0.47 -0.12 0.00 -1.93 0.00 0.00 178.83 177.29 1lm1 h ALA 553 N 1.66 0.16 -0.03 3.38 0.00 0.20 -1.60 119.26 123.02 1lm1 h ALA 553 Ca 0.59 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.61 1lm1 h ALA 553 Cb 0.94 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1lm1 h ALA 553 CO -0.40 -0.50 -0.03 0.82 0.00 0.00 0.00 179.25 179.15 1lm1 h ILE 554 N -0.06 1.36 0.00 0.00 5.03 -0.38 -0.74 117.51 122.71 1lm1 h ILE 554 Ca 0.17 -1.12 0.00 0.00 -0.12 0.00 0.00 64.86 63.79 1lm1 h ILE 554 Cb 0.31 2.04 0.00 0.00 -3.03 0.00 0.00 36.82 36.14 1lm1 h ILE 554 CO -0.38 0.30 0.21 0.29 -0.68 0.00 0.00 178.15 177.89 1lm1 n LYS 555 N -4.81 0.00 0.00 2.37 5.02 -0.17 -1.65 118.16 118.92 1lm1 n LYS 555 Ca -0.08 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1lm1 n LYS 555 Cb 0.26 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1lm1 n LYS 555 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1lm1 n THR 556 N -1.17 0.00 0.00 -0.18 -1.04 -0.34 -4.67 114.28 106.89 1lm1 n THR 556 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1lm1 n THR 556 Cb 0.21 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1lm1 n THR 556 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lm1 n GLY 557 N 2.60 0.00 0.38 3.41 0.00 -0.66 -4.24 105.19 106.69 1lm1 n GLY 557 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1lm1 n GLY 557 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1lm1 h GLN 558 N 0.00 -0.11 -4.69 1.61 1.08 -1.94 -3.42 115.11 107.65 1lm1 h GLN 558 Ca 0.00 0.01 -0.35 0.00 -1.45 0.00 0.00 58.65 56.85 1lm1 h GLN 558 Cb 0.00 0.03 -0.26 0.00 -0.05 0.00 0.00 27.48 27.20 1lm1 h GLN 558 CO 0.00 -0.07 -0.76 -1.17 -0.95 0.00 0.00 178.83 175.87 1lm1 s LEU 559 N -9.93 2.11 0.21 1.46 0.20 -1.26 -5.15 118.68 106.31 1lm1 s LEU 559 Ca -0.11 -0.31 -0.05 0.00 0.69 0.00 0.00 54.13 54.35 1lm1 s LEU 559 Cb 0.09 -0.36 -0.04 0.00 -0.43 0.00 0.00 46.19 45.45 1lm1 s LEU 559 CO 0.55 -0.00 -0.12 0.00 -0.29 0.00 0.00 176.35 176.48 1lm1 n GLN 560 N 2.31 0.00 -2.73 1.98 1.13 -1.26 -4.81 117.38 114.00 1lm1 n GLN 560 Ca -0.17 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.83 1lm1 n GLN 560 Cb 0.56 -0.28 0.04 0.00 0.11 0.00 0.00 30.24 30.67 1lm1 n GLN 560 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1lm1 n VAL 561 N -0.55 0.00 -1.68 5.09 0.31 -1.26 -4.08 118.33 116.15 1lm1 n VAL 561 Ca 0.01 -1.12 -0.53 0.00 -0.01 0.00 0.00 64.34 62.69 1lm1 n VAL 561 Cb 0.14 1.23 -0.06 0.00 -0.91 0.00 0.00 33.84 34.24 1lm1 n VAL 561 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lm1 n ALA 562 N 2.04 0.22 -1.72 3.52 0.00 -1.22 -4.33 120.51 119.02 1lm1 n ALA 562 Ca 0.10 0.37 -0.39 0.00 0.00 0.00 0.00 53.44 53.53 1lm1 n ALA 562 Cb 0.63 -2.31 0.04 0.00 0.00 0.00 0.00 19.45 17.80 1lm1 n ALA 562 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1lm1 n GLU 563 N 5.26 1.62 -4.84 0.00 0.28 -1.25 -2.17 120.64 119.53 1lm1 n GLU 563 Ca 0.23 0.60 -0.29 0.00 -0.16 0.00 0.00 57.16 57.54 1lm1 n GLU 563 Cb 0.21 -2.49 -0.17 0.00 1.43 0.00 0.00 31.44 30.42 1lm1 n GLU 563 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1lm1 s VAL 564 N -1.30 1.67 -0.34 3.84 1.01 -0.61 -4.90 120.40 119.77 1lm1 s VAL 564 Ca 0.71 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 1lm1 s VAL 564 Cb -0.43 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1lm1 s VAL 564 CO 0.50 0.47 2.00 -0.55 0.00 0.00 0.00 175.10 177.53 1lm1 s SER 565 N 0.60 5.54 0.00 3.32 0.15 -1.26 -2.83 113.70 119.21 1lm1 s SER 565 Ca -0.14 1.36 0.15 0.00 0.70 0.00 0.00 55.95 58.02 1lm1 s SER 565 Cb -0.17 -2.52 0.87 0.00 -1.71 0.00 0.00 66.02 62.50 1lm1 s SER 565 CO 0.05 -1.98 1.36 0.41 1.20 0.00 0.00 173.24 174.27 1lm1 n THR 566 N 7.57 0.16 -3.27 6.45 -1.04 0.78 -4.79 114.28 120.14 1lm1 n THR 566 Ca 0.26 0.04 -0.19 0.00 -2.04 0.00 0.00 64.05 62.12 1lm1 n THR 566 Cb 0.48 -0.80 -0.00 0.00 -1.82 0.00 0.00 70.33 68.18 1lm1 n THR 566 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1lm1 s LEU 567 N -2.16 3.48 -0.29 -4.42 1.43 -1.26 -0.84 118.68 114.62 1lm1 s LEU 567 Ca 0.21 -0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 52.51 1lm1 s LEU 567 Cb 0.10 -2.29 0.15 0.00 0.03 0.00 0.00 46.19 44.18 1lm1 s LEU 567 CO 0.19 -0.77 1.04 -0.72 0.23 0.00 0.00 176.35 176.32 1lm1 s TYR 568 N -2.44 -0.48 0.65 0.29 -0.85 -1.23 -4.93 117.35 108.38 1lm1 s TYR 568 Ca 0.52 1.00 -0.11 0.00 -0.52 0.00 0.00 57.07 57.96 1lm1 s TYR 568 Cb -0.07 0.33 -0.02 0.00 0.38 0.00 0.00 41.96 42.59 1lm1 s TYR 568 CO 0.31 -0.23 1.05 -0.51 -1.52 0.00 0.00 175.55 174.64 1lm1 s ASP 569 N 0.99 5.91 0.66 -0.18 1.01 -1.26 -3.22 116.67 120.57 1lm1 s ASP 569 Ca -0.05 1.38 -0.11 0.00 0.71 0.00 0.00 52.55 54.48 1lm1 s ASP 569 Cb -0.04 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.53 1lm1 s ASP 569 CO -0.13 -1.07 1.05 -0.22 0.21 0.00 0.00 175.17 175.01 1lm1 s LEU 570 N -5.28 3.08 0.00 1.23 0.20 -1.20 -4.30 118.68 112.41 1lm1 s LEU 570 Ca 0.56 1.22 0.00 0.00 0.69 0.00 0.00 54.13 56.61 1lm1 s LEU 570 Cb -0.11 -4.13 0.00 0.00 -0.43 0.00 0.00 46.19 41.51 1lm1 s LEU 570 CO 0.54 -1.10 0.00 0.47 -0.29 0.00 0.00 176.35 175.97 1lm1 n ASP 571 N -2.85 0.00 0.00 3.68 9.92 -1.26 -4.58 116.55 121.46 1lm1 n ASP 571 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1lm1 n ASP 571 Cb 0.56 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.04 1lm1 n ASP 571 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lm1 n GLY 572 N 0.00 -0.76 3.57 0.44 0.00 -1.26 -1.04 105.19 106.13 1lm1 n GLY 572 Ca 0.00 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1lm1 n GLY 572 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lm1 s VAL 573 N -0.27 3.31 0.23 1.61 1.01 -1.26 -4.86 120.40 120.16 1lm1 s VAL 573 Ca 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 1lm1 s VAL 573 Cb 0.00 -3.90 0.29 0.00 0.00 0.00 0.00 36.38 32.76 1lm1 s VAL 573 CO 0.00 -0.61 1.58 -1.13 0.00 0.00 0.00 175.10 174.94 1lm1 h ASN 574 N 11.31 -1.00 -4.22 3.32 -0.73 -1.40 -3.44 115.58 119.42 1lm1 h ASN 574 Ca 0.09 0.26 -0.57 0.00 1.87 0.00 0.00 56.30 57.95 1lm1 h ASN 574 Cb 0.99 0.58 -0.23 0.00 0.27 0.00 0.00 38.32 39.92 1lm1 h ASN 574 CO 1.14 -0.29 -0.83 -0.94 -0.37 0.00 0.00 177.43 176.14 1lm1 s SER 575 N -5.25 2.53 0.33 1.15 1.04 -1.26 -4.66 113.70 107.58 1lm1 s SER 575 Ca -0.14 -0.62 0.12 0.00 0.48 0.00 0.00 55.95 55.78 1lm1 s SER 575 Cb 0.21 -0.17 0.96 0.00 0.10 0.00 0.00 66.02 67.12 1lm1 s SER 575 CO 0.74 0.10 1.71 0.25 0.98 0.00 0.00 173.24 177.02 1lm1 h LEU 576 N 4.40 0.62 -0.45 2.42 5.85 -1.93 -0.94 115.31 125.28 1lm1 h LEU 576 Ca -0.45 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.51 1lm1 h LEU 576 Cb 1.17 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.16 1lm1 h LEU 576 CO 0.41 0.04 -0.29 -0.08 -0.34 0.00 0.00 178.44 178.18 1lm1 h GLU 577 N 0.50 -0.19 -0.22 1.25 4.81 -1.95 0.26 114.58 119.04 1lm1 h GLU 577 Ca 0.67 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.94 1lm1 h GLU 577 Cb 1.38 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.77 1lm1 h GLU 577 CO -0.50 -0.12 0.06 -0.44 -0.73 0.00 0.00 179.01 177.28 1lm1 h ASP 578 N -0.19 0.06 -0.87 1.04 3.32 -1.60 -0.42 116.42 117.75 1lm1 h ASP 578 Ca 0.20 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1lm1 h ASP 578 Cb 0.52 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1lm1 h ASP 578 CO -0.56 0.06 0.46 0.00 -1.72 0.00 0.00 179.24 177.48 1lm1 h ALA 579 N 1.15 1.12 0.41 3.45 0.00 -0.61 0.58 119.26 125.36 1lm1 h ALA 579 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1lm1 h ALA 579 Cb 0.08 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1lm1 h ALA 579 CO -0.11 0.65 -0.47 1.25 0.00 0.00 0.00 179.25 180.57 1lm1 h LEU 580 N 1.23 -1.30 -0.94 0.00 5.85 0.10 -1.38 115.31 118.86 1lm1 h LEU 580 Ca 0.30 0.11 0.13 0.00 0.84 0.00 0.00 57.88 59.26 1lm1 h LEU 580 Cb 0.06 0.44 -0.14 0.00 0.37 0.00 0.00 40.66 41.38 1lm1 h LEU 580 CO -0.05 -0.60 -0.45 0.74 -0.34 0.00 0.00 178.44 177.74 1lm1 h THR 581 N -0.89 0.01 0.00 1.05 2.02 0.61 0.12 112.91 115.83 1lm1 h THR 581 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1lm1 h THR 581 Cb 0.79 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1lm1 h THR 581 CO -0.09 0.00 0.00 0.78 0.37 0.00 0.00 175.52 176.58 1lm1 h ASN 582 N -0.03 0.00 -0.17 4.18 2.35 -0.78 -1.61 115.58 119.53 1lm1 h ASN 582 Ca 0.27 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.98 1lm1 h ASN 582 Cb 0.54 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 1lm1 h ASN 582 CO -0.94 0.00 -0.07 0.25 -1.65 0.00 0.00 177.43 175.03 1lm1 h LEU 583 N 0.00 0.35 0.33 1.61 6.46 0.36 0.69 115.31 125.11 1lm1 h LEU 583 Ca 0.00 -0.40 -0.02 0.00 -0.12 0.00 0.00 57.88 57.34 1lm1 h LEU 583 Cb 0.65 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1lm1 h LEU 583 CO 0.00 0.67 -0.16 0.58 -0.62 0.00 0.00 178.44 178.92 1lm1 h VAL 584 N 0.03 0.70 -0.36 1.05 2.07 -0.89 0.87 116.25 119.72 1lm1 h VAL 584 Ca 0.04 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.25 1lm1 h VAL 584 Cb 0.53 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1lm1 h VAL 584 CO 0.02 0.07 0.03 0.11 0.02 0.00 0.00 177.57 177.82 1lm1 h LYS 585 N -0.64 0.13 0.07 1.57 1.57 -1.30 1.51 116.57 119.48 1lm1 h LYS 585 Ca -0.04 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1lm1 h LYS 585 Cb 0.46 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 1lm1 h LYS 585 CO 0.07 0.09 -0.31 1.15 -0.57 0.00 0.00 179.45 179.88 1lm1 h THR 586 N 0.13 0.33 -0.03 -0.16 2.02 0.73 0.20 112.91 116.13 1lm1 h THR 586 Ca 0.17 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.39 1lm1 h THR 586 Cb 0.22 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 1lm1 h THR 586 CO -0.26 0.00 -0.25 0.00 0.37 0.00 0.00 175.52 175.37 1lm1 h ALA 587 N 0.19 -0.32 0.22 6.16 0.00 0.19 0.13 119.26 125.84 1lm1 h ALA 587 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1lm1 h ALA 587 Cb 0.56 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1lm1 h ALA 587 CO -0.21 -0.75 -0.41 0.82 0.00 0.00 0.00 179.25 178.70 1lm1 h ILE 588 N -0.37 0.00 -0.80 0.00 2.04 0.25 -1.96 117.51 116.68 1lm1 h ILE 588 Ca 0.07 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.12 1lm1 h ILE 588 Cb 0.47 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.43 1lm1 h ILE 588 CO -0.24 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.07 1lm1 h ALA 589 N -0.89 1.04 -0.64 1.87 0.00 -0.34 -1.12 119.26 119.18 1lm1 h ALA 589 Ca -0.02 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1lm1 h ALA 589 Cb 0.64 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1lm1 h ALA 589 CO -0.15 -0.40 0.40 1.15 0.00 0.00 0.00 179.25 180.24 1lm1 h THR 590 N 0.22 1.18 -0.13 0.00 2.02 -0.45 -0.23 112.91 115.52 1lm1 h THR 590 Ca 0.47 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1lm1 h THR 590 Cb 0.86 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1lm1 h THR 590 CO -0.60 0.19 0.06 0.58 0.37 0.00 0.00 175.52 176.12 1lm1 h VAL 591 N 0.87 1.13 -0.76 3.16 2.07 -0.47 -1.67 116.25 120.57 1lm1 h VAL 591 Ca 0.23 -0.38 0.17 0.00 0.82 0.00 0.00 66.70 67.54 1lm1 h VAL 591 Cb -0.04 1.13 -0.14 0.00 -1.52 0.00 0.00 31.29 30.72 1lm1 h VAL 591 CO -0.05 0.12 -0.08 1.56 0.02 0.00 0.00 177.57 179.14 1lm1 h GLN 592 N 0.08 0.05 0.00 1.57 4.20 -1.01 -0.46 115.11 119.55 1lm1 h GLN 592 Ca 0.05 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1lm1 h GLN 592 Cb 0.13 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1lm1 h GLN 592 CO -0.01 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.19 1lm1 n ALA 593 N -3.08 2.00 -0.01 3.87 0.00 -0.12 -4.71 120.51 118.46 1lm1 n ALA 593 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1lm1 n ALA 593 Cb 0.45 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1lm1 n ALA 593 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lm1 n GLY 594 N -0.04 0.73 3.69 0.00 0.00 -0.19 -5.04 105.19 104.34 1lm1 n GLY 594 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1lm1 n GLY 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 s ALA 595 N -2.01 3.69 -2.69 4.61 0.00 -0.69 -4.88 121.76 119.79 1lm1 s ALA 595 Ca 0.00 1.22 0.22 0.00 0.00 0.00 0.00 51.96 53.40 1lm1 s ALA 595 Cb 0.00 -3.71 0.22 0.00 0.00 0.00 0.00 23.12 19.63 1lm1 s ALA 595 CO 0.00 -1.15 1.23 0.39 0.00 0.00 0.00 175.76 176.23 1lm1 n GLU 596 N 5.77 2.15 -3.66 0.00 1.02 -1.26 -4.48 120.64 120.18 1lm1 n GLU 596 Ca 0.16 -1.90 -0.08 0.00 -0.02 0.00 0.00 57.16 55.32 1lm1 n GLU 596 Cb 0.40 -1.44 -0.08 0.00 -0.02 0.00 0.00 31.44 30.30 1lm1 n GLU 596 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1lm1 s ILE 597 N -1.77 -0.07 -0.26 -3.67 1.01 -1.26 -1.84 121.20 113.34 1lm1 s ILE 597 Ca 0.28 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 1lm1 s ILE 597 Cb 0.19 -0.84 0.03 0.00 0.01 0.00 0.00 42.46 41.85 1lm1 s ILE 597 CO 0.28 0.02 -0.04 -0.76 0.00 0.00 0.00 174.94 174.44 1lm1 s LEU 598 N 1.63 3.37 -0.44 2.97 1.02 -1.22 -3.37 118.68 122.65 1lm1 s LEU 598 Ca -0.09 -0.94 -0.28 0.00 0.02 0.00 0.00 54.13 52.83 1lm1 s LEU 598 Cb -0.07 -1.69 0.03 0.00 0.02 0.00 0.00 46.19 44.48 1lm1 s LEU 598 CO -0.17 -0.16 1.07 -0.69 0.02 0.00 0.00 176.35 176.43 1lm1 s VAL 599 N 1.32 4.34 -0.64 -1.59 1.01 -0.92 -3.01 120.40 120.90 1lm1 s VAL 599 Ca -0.01 1.24 -0.21 0.00 0.00 0.00 0.00 61.98 63.00 1lm1 s VAL 599 Cb -0.17 -4.52 0.09 0.00 0.00 0.00 0.00 36.38 31.77 1lm1 s VAL 599 CO -0.03 -0.84 0.87 -0.76 0.00 0.00 0.00 175.10 174.33 1lm1 s LEU 600 N 4.11 4.81 -0.06 3.92 1.43 -0.06 -1.57 118.68 131.26 1lm1 s LEU 600 Ca 0.45 -1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 52.27 1lm1 s LEU 600 Cb -0.09 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1lm1 s LEU 600 CO 0.27 -1.30 0.21 -0.89 0.23 0.00 0.00 176.35 174.87 1lm1 s THR 601 N 3.46 5.39 -2.71 5.49 2.01 -1.13 -0.87 115.64 127.28 1lm1 s THR 601 Ca 0.18 0.22 0.26 0.00 0.31 0.00 0.00 61.69 62.66 1lm1 s THR 601 Cb -0.19 -3.50 0.38 0.00 0.01 0.00 0.00 72.50 69.20 1lm1 s THR 601 CO 0.08 0.50 1.52 -0.90 -0.69 0.00 0.00 174.62 175.13 1lm1 n ASP 602 N 1.58 2.17 -2.80 3.53 3.85 -1.02 -0.16 116.55 123.70 1lm1 n ASP 602 Ca -0.16 -1.72 -0.31 0.00 -0.71 0.00 0.00 54.79 51.90 1lm1 n ASP 602 Cb 0.54 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.31 1lm1 n ASP 602 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 1lm1 n ARG 603 N 0.69 3.47 -2.35 0.11 1.85 -1.26 -4.82 116.66 114.35 1lm1 n ARG 603 Ca 0.17 -4.45 -0.43 0.00 -1.00 0.00 0.00 57.85 52.14 1lm1 n ARG 603 Cb 0.47 -2.27 -0.02 0.00 -1.05 0.00 0.00 32.46 29.58 1lm1 n ARG 603 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1lm1 s PRO 604 N -3.70 3.91 -1.31 2.89 0.04 -1.26 -1.94 135.00 133.62 1lm1 s PRO 604 Ca 0.48 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1lm1 s PRO 604 Cb 0.35 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1lm1 s PRO 604 CO -0.21 -1.13 0.00 0.09 0.04 0.00 0.00 177.00 175.79 1lm1 n ASN 605 N 7.72 -4.47 0.00 6.66 3.02 -1.26 -4.05 115.26 122.89 1lm1 n ASN 605 Ca 0.16 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1lm1 n ASN 605 Cb 0.46 -3.14 0.00 0.00 -0.61 0.00 0.00 39.78 36.50 1lm1 n ASN 605 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lm1 n GLY 606 N -1.39 0.74 3.06 7.41 0.00 -0.82 -5.07 105.19 109.12 1lm1 n GLY 606 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1lm1 n GLY 606 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 s ALA 607 N -2.49 0.41 -0.34 4.61 0.00 -1.26 -5.07 121.76 117.63 1lm1 s ALA 607 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1lm1 s ALA 607 Cb 0.00 0.21 0.11 0.00 0.00 0.00 0.00 23.12 23.44 1lm1 s ALA 607 CO 0.00 -0.27 0.13 0.42 0.00 0.00 0.00 175.76 176.04 1lm1 s ILE 608 N -2.95 1.08 0.78 0.00 1.01 -1.26 -4.56 121.20 115.30 1lm1 s ILE 608 Ca -0.01 -1.74 -0.07 0.00 0.00 0.00 0.00 60.65 58.83 1lm1 s ILE 608 Cb 0.01 -1.80 0.17 0.00 0.01 0.00 0.00 42.46 40.85 1lm1 s ILE 608 CO -0.06 -0.73 1.07 0.18 0.00 0.00 0.00 174.94 175.40 1lm1 n LEU 609 N 4.49 0.00 0.12 2.97 4.77 -1.26 -4.97 117.00 123.11 1lm1 n LEU 609 Ca 0.01 -1.72 0.04 0.00 -0.03 0.00 0.00 56.01 54.31 1lm1 n LEU 609 Cb 0.40 -0.75 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1lm1 n LEU 609 CO 0.15 -1.14 0.29 0.74 -1.33 0.00 0.00 177.39 176.09 1lm1 h THR 610 N -1.08 0.61 0.00 -5.08 2.02 -1.99 -3.30 112.91 104.09 1lm1 h THR 610 Ca -0.35 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1lm1 h THR 610 Cb 1.13 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.75 1lm1 h THR 610 CO 0.31 0.35 -1.77 -0.62 0.37 0.00 0.00 175.52 174.16 1lm1 n GLU 611 N -3.08 0.59 -0.57 6.66 1.02 -1.26 -4.03 120.64 119.96 1lm1 n GLU 611 Ca -0.01 -0.14 -0.08 0.00 -0.02 0.00 0.00 57.16 56.91 1lm1 n GLU 611 Cb 0.72 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 30.50 1lm1 n GLU 611 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1lm1 n ASN 612 N -2.23 3.09 -4.53 1.62 2.85 -1.24 -3.25 115.26 111.56 1lm1 n ASN 612 Ca -0.03 -2.07 -0.13 0.00 -0.11 0.00 0.00 54.58 52.24 1lm1 n ASN 612 Cb 0.54 -0.81 -0.10 0.00 1.24 0.00 0.00 39.78 40.65 1lm1 n ASN 612 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1lm1 n GLN 613 N 2.86 0.28 0.00 1.20 -0.06 -1.20 -4.61 117.38 115.85 1lm1 n GLN 613 Ca 0.26 -1.11 0.00 0.00 -2.00 0.00 0.00 57.00 54.14 1lm1 n GLN 613 Cb 0.47 -3.46 0.00 0.00 -4.06 0.00 0.00 30.24 23.20 1lm1 n GLN 613 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1lm1 n SER 614 N 17.54 0.00 -4.28 1.69 3.41 -1.26 -4.61 113.62 126.10 1lm1 n SER 614 Ca 0.43 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.82 1lm1 n SER 614 Cb 0.43 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 1lm1 n SER 614 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1lm1 s PHE 615 N -0.80 1.78 -0.34 7.33 2.99 -1.26 -3.47 117.98 124.21 1lm1 s PHE 615 Ca 0.00 -1.14 -0.19 0.00 0.00 0.00 0.00 56.93 55.59 1lm1 s PHE 615 Cb 0.00 -1.12 -0.00 0.00 0.00 0.00 0.00 43.02 41.90 1lm1 s PHE 615 CO 0.00 -0.21 0.59 0.42 -0.00 0.00 0.00 175.22 176.02 1lm1 s ILE 616 N -3.41 4.95 0.14 0.64 1.09 -0.02 -4.98 121.20 119.61 1lm1 s ILE 616 Ca 0.33 0.55 -0.34 0.00 -1.10 0.00 0.00 60.65 60.09 1lm1 s ILE 616 Cb 0.06 -4.01 -0.16 0.00 -1.06 0.00 0.00 42.46 37.29 1lm1 s ILE 616 CO 0.15 -0.24 1.25 -2.65 -0.10 0.00 0.00 174.94 173.36 1lm1 n PRO 617 N 5.89 1.23 -0.13 2.79 -0.02 -1.26 -4.84 135.00 138.66 1lm1 n PRO 617 Ca -0.03 0.44 0.18 0.00 -2.02 0.00 0.00 63.50 62.07 1lm1 n PRO 617 Cb 0.49 -2.01 0.57 0.00 -0.02 0.00 0.00 33.50 32.53 1lm1 n PRO 617 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1lm1 h PRO 618 N 3.94 0.27 0.07 0.52 0.11 -1.98 -1.42 132.00 133.51 1lm1 h PRO 618 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1lm1 h PRO 618 Cb 1.33 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1lm1 h PRO 618 CO 0.74 0.18 -0.03 1.25 -0.21 0.00 0.00 178.00 179.92 1lm1 h LEU 619 N 0.28 -0.08 0.00 2.35 5.85 -1.90 -2.36 115.31 119.45 1lm1 h LEU 619 Ca 0.35 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1lm1 h LEU 619 Cb 0.98 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1lm1 h LEU 619 CO -0.09 0.57 0.00 -0.11 -0.34 0.00 0.00 178.44 178.47 1lm1 n LEU 620 N -4.82 0.00 -0.12 2.25 7.94 -0.88 -1.87 117.00 119.50 1lm1 n LEU 620 Ca -0.08 0.47 -0.24 0.00 -1.11 0.00 0.00 56.01 55.05 1lm1 n LEU 620 Cb 0.30 -0.47 -0.09 0.00 0.53 0.00 0.00 43.42 43.69 1lm1 n LEU 620 CO 0.28 -0.42 -1.02 0.00 -1.11 0.00 0.00 177.39 175.12 1lm1 n ALA 621 N -1.47 0.99 -0.18 1.96 0.00 -0.59 -3.26 120.51 117.96 1lm1 n ALA 621 Ca 0.01 -0.85 -0.10 0.00 0.00 0.00 0.00 53.44 52.50 1lm1 n ALA 621 Cb 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 19.45 19.39 1lm1 n ALA 621 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1lm1 h VAL 622 N -1.00 1.27 -0.14 0.00 2.07 -1.24 0.17 116.25 117.37 1lm1 h VAL 622 Ca -0.49 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 65.92 1lm1 h VAL 622 Cb 1.39 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1lm1 h VAL 622 CO -0.29 0.40 -0.18 1.23 0.02 0.00 0.00 177.57 178.75 1lm1 h GLY 623 N 0.79 -1.69 0.21 2.17 0.00 -1.38 0.42 103.07 103.60 1lm1 h GLY 623 Ca 0.14 0.82 0.05 0.00 0.00 0.00 0.00 47.33 48.35 1lm1 h GLY 623 CO 0.03 -0.56 -0.24 0.00 0.00 0.00 0.00 176.54 175.77 1lm1 h ALA 624 N -0.87 -0.18 -0.29 3.60 0.00 -1.39 0.15 119.26 120.29 1lm1 h ALA 624 Ca 0.02 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1lm1 h ALA 624 Cb 0.18 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1lm1 h ALA 624 CO -0.20 -0.69 -0.08 -0.39 0.00 0.00 0.00 179.25 177.90 1lm1 h VAL 625 N -0.28 0.70 -0.08 0.00 -1.51 -0.56 -0.43 116.25 114.11 1lm1 h VAL 625 Ca 0.12 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.54 1lm1 h VAL 625 Cb 0.46 0.70 -0.01 0.00 -2.13 0.00 0.00 31.29 30.31 1lm1 h VAL 625 CO -0.35 0.00 -0.20 -0.74 -1.23 0.00 0.00 177.57 175.05 1lm1 h HIS 626 N -0.01 0.14 0.15 5.19 -0.00 0.15 0.21 115.15 120.98 1lm1 h HIS 626 Ca 0.14 -0.02 -0.33 0.00 -0.00 0.00 0.00 60.37 60.16 1lm1 h HIS 626 Cb 0.22 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 1lm1 h HIS 626 CO -0.28 0.33 -1.62 0.45 -0.00 0.00 0.00 177.93 176.81 1lm1 h HIS 627 N 0.12 0.58 -0.27 5.26 -0.00 -0.54 -3.17 115.15 117.14 1lm1 h HIS 627 Ca 0.02 -0.43 -0.10 0.00 -0.00 0.00 0.00 60.37 59.87 1lm1 h HIS 627 Cb 0.43 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 1lm1 h HIS 627 CO 0.00 1.51 -0.22 0.45 -0.00 0.00 0.00 177.93 179.67 1lm1 h HIS 628 N 0.09 0.74 -0.62 2.45 3.86 -0.44 0.55 115.15 121.78 1lm1 h HIS 628 Ca -0.28 -0.21 0.09 0.00 -1.16 0.00 0.00 60.37 58.81 1lm1 h HIS 628 Cb 2.06 -0.16 -0.11 0.00 1.06 0.00 0.00 27.41 30.26 1lm1 h HIS 628 CO 0.08 0.92 -0.42 1.25 0.86 0.00 0.00 177.93 180.62 1lm1 h LEU 629 N 0.35 -1.46 -0.47 2.43 5.85 -0.81 -0.07 115.31 121.13 1lm1 h LEU 629 Ca 0.05 0.25 0.07 0.00 0.84 0.00 0.00 57.88 59.09 1lm1 h LEU 629 Cb 0.77 0.68 -0.06 0.00 0.37 0.00 0.00 40.66 42.42 1lm1 h LEU 629 CO 0.06 -0.32 0.14 0.40 -0.34 0.00 0.00 178.44 178.38 1lm1 h ILE 630 N -0.20 0.81 0.00 4.05 2.04 -1.23 0.61 117.51 123.59 1lm1 h ILE 630 Ca 0.20 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1lm1 h ILE 630 Cb 0.56 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1lm1 h ILE 630 CO -0.71 0.06 0.00 0.54 0.00 0.00 0.00 178.15 178.03 1lm1 n ARG 631 N -5.04 0.14 -0.01 2.37 1.74 0.18 -1.96 116.66 114.09 1lm1 n ARG 631 Ca 0.05 0.57 0.10 0.00 -0.77 0.00 0.00 57.85 57.79 1lm1 n ARG 631 Cb 0.20 -1.89 -0.14 0.00 -1.02 0.00 0.00 32.46 29.60 1lm1 n ARG 631 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lm1 n ALA 632 N -1.75 3.51 0.00 7.54 0.00 0.20 -4.93 120.51 125.08 1lm1 n ALA 632 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1lm1 n ALA 632 Cb 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1lm1 n ALA 632 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lm1 n GLY 633 N 1.38 0.39 0.02 0.00 0.00 -0.40 -4.97 105.19 101.60 1lm1 n GLY 633 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1lm1 n GLY 633 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lm1 n LEU 634 N 0.00 0.40 -0.29 0.99 4.77 -0.65 -4.63 117.00 117.58 1lm1 n LEU 634 Ca 0.00 -0.09 0.20 0.00 -0.03 0.00 0.00 56.01 56.08 1lm1 n LEU 634 Cb 0.00 -0.02 0.48 0.00 -2.33 0.00 0.00 43.42 41.55 1lm1 n LEU 634 CO 0.00 0.05 1.22 -0.09 -1.33 0.00 0.00 177.39 177.24 1lm1 h ARG 635 N 0.00 0.45 0.00 3.23 1.12 -1.86 0.32 114.38 117.64 1lm1 h ARG 635 Ca 0.00 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1lm1 h ARG 635 Cb 0.84 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.70 1lm1 h ARG 635 CO 0.00 0.29 0.00 1.28 -3.11 0.00 0.00 179.97 178.43 1lm1 n LEU 636 N -4.59 0.01 0.03 3.80 4.32 -1.26 -3.66 117.00 115.64 1lm1 n LEU 636 Ca 0.22 0.50 -0.20 0.00 -0.02 0.00 0.00 56.01 56.52 1lm1 n LEU 636 Cb 0.75 -0.50 -0.14 0.00 -1.62 0.00 0.00 43.42 41.91 1lm1 n LEU 636 CO 0.27 -0.44 -0.06 0.11 -1.22 0.00 0.00 177.39 176.06 1lm1 h LYS 637 N 0.00 0.25 -5.80 3.23 1.79 -0.67 -2.82 116.57 112.55 1lm1 h LYS 637 Ca 0.00 -0.44 -0.60 0.00 -2.18 0.00 0.00 60.65 57.44 1lm1 h LYS 637 Cb 0.07 0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 30.82 1lm1 h LYS 637 CO 0.00 1.21 -0.35 0.00 -1.08 0.00 0.00 179.45 179.22 1lm1 s ALA 638 N -2.42 4.32 0.06 3.86 0.00 -1.24 -4.17 121.76 122.16 1lm1 s ALA 638 Ca -0.16 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.65 1lm1 s ALA 638 Cb 0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 1lm1 s ALA 638 CO 0.80 -0.35 -0.06 -1.54 0.00 0.00 0.00 175.76 174.61 1lm1 s SER 639 N -4.18 0.82 -0.13 0.00 1.04 -0.77 -4.70 113.70 105.77 1lm1 s SER 639 Ca 0.30 -0.75 -0.02 0.00 0.48 0.00 0.00 55.95 55.95 1lm1 s SER 639 Cb -0.01 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 1lm1 s SER 639 CO 0.18 -0.36 -0.06 -0.76 0.98 0.00 0.00 173.24 173.22 1lm1 s LEU 640 N -2.23 3.11 -0.21 2.42 1.02 -1.26 -3.46 118.68 118.08 1lm1 s LEU 640 Ca -0.01 -0.16 -0.07 0.00 0.02 0.00 0.00 54.13 53.91 1lm1 s LEU 640 Cb -0.03 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.42 1lm1 s LEU 640 CO -0.03 0.20 0.07 -0.63 0.02 0.00 0.00 176.35 175.98 1lm1 s ILE 641 N 0.16 4.64 -0.30 -0.59 1.01 -1.16 0.14 121.20 125.09 1lm1 s ILE 641 Ca -0.03 -0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.38 1lm1 s ILE 641 Cb -0.14 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 1lm1 s ILE 641 CO 0.03 0.41 0.41 0.54 0.00 0.00 0.00 174.94 176.33 1lm1 s VAL 642 N 0.80 5.14 -0.70 2.92 0.11 0.03 -0.88 120.40 127.82 1lm1 s VAL 642 Ca 0.04 0.40 -0.11 0.00 -2.93 0.00 0.00 61.98 59.38 1lm1 s VAL 642 Cb -0.14 -3.79 0.18 0.00 -1.53 0.00 0.00 36.38 31.11 1lm1 s VAL 642 CO 0.02 0.01 0.61 -0.62 -3.33 0.00 0.00 175.10 171.80 1lm1 s ASP 643 N 1.68 6.22 0.00 3.54 2.15 -0.05 -1.48 116.67 128.74 1lm1 s ASP 643 Ca 0.15 -2.53 0.03 0.00 0.43 0.00 0.00 52.55 50.63 1lm1 s ASP 643 Cb -0.16 -2.11 -0.01 0.00 -0.30 0.00 0.00 42.92 40.35 1lm1 s ASP 643 CO 0.11 -0.58 -0.08 0.28 -0.17 0.00 0.00 175.17 174.73 1lm1 s THR 644 N 0.43 0.63 0.03 1.71 -1.32 -0.80 -2.43 115.64 113.89 1lm1 s THR 644 Ca 0.14 -0.45 -0.31 0.00 -1.21 0.00 0.00 61.69 59.86 1lm1 s THR 644 Cb -0.17 -0.55 -0.17 0.00 -1.51 0.00 0.00 72.50 70.10 1lm1 s THR 644 CO -0.05 0.10 1.27 0.00 -2.21 0.00 0.00 174.62 173.73 1lm1 h ALA 645 N 5.72 -1.11 0.00 11.08 0.00 -1.90 -2.79 119.26 130.27 1lm1 h ALA 645 Ca -0.31 -0.24 -0.56 0.00 0.00 0.00 0.00 54.91 53.80 1lm1 h ALA 645 Cb 1.19 0.43 0.07 0.00 0.00 0.00 0.00 17.79 19.47 1lm1 h ALA 645 CO 0.48 -1.03 2.05 0.94 0.00 0.00 0.00 179.25 181.70 1lm1 n GLN 646 N -5.50 1.15 -3.49 0.00 7.27 -1.26 -4.03 117.38 111.52 1lm1 n GLN 646 Ca -0.14 -1.52 0.00 0.00 0.07 0.00 0.00 57.00 55.41 1lm1 n GLN 646 Cb 0.44 -2.71 -0.05 0.00 2.41 0.00 0.00 30.24 30.33 1lm1 n GLN 646 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1lm1 n TRP 648 N 4.75 -0.37 -1.58 0.00 2.14 -1.26 -4.37 117.44 116.74 1lm1 n TRP 648 Ca -0.12 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.03 1lm1 n TRP 648 Cb 0.53 0.16 0.00 0.00 -0.81 0.00 0.00 31.31 31.19 1lm1 n TRP 648 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1lm1 n SER 649 N -1.81 0.99 -0.13 -0.67 2.88 -1.26 -4.94 113.62 108.68 1lm1 n SER 649 Ca 0.00 1.07 -0.11 0.00 -1.33 0.00 0.00 58.87 58.50 1lm1 n SER 649 Cb 0.00 -1.30 -0.06 0.00 -0.75 0.00 0.00 64.21 62.10 1lm1 n SER 649 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lm1 h THR 650 N 1.60 0.07 -0.98 2.46 1.03 -1.95 -2.34 112.91 112.80 1lm1 h THR 650 Ca -0.42 0.00 0.18 0.00 -0.01 0.00 0.00 66.41 66.15 1lm1 h THR 650 Cb 1.35 0.07 -0.09 0.00 -1.07 0.00 0.00 68.15 68.40 1lm1 h THR 650 CO 0.57 0.00 0.61 -0.74 -0.01 0.00 0.00 175.52 175.96 1lm1 h HIS 651 N -0.36 0.99 -0.52 0.00 -0.00 -1.93 -2.66 115.15 110.67 1lm1 h HIS 651 Ca 0.11 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.59 1lm1 h HIS 651 Cb 0.59 -0.30 -0.06 0.00 -0.00 0.00 0.00 27.41 27.64 1lm1 h HIS 651 CO -0.66 0.27 0.18 0.45 -0.00 0.00 0.00 177.93 178.17 1lm1 h HIS 652 N 0.75 0.32 -0.35 5.26 -0.00 -1.79 -0.13 115.15 119.21 1lm1 h HIS 652 Ca 0.54 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.84 1lm1 h HIS 652 Cb 0.85 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.18 1lm1 h HIS 652 CO -0.00 0.09 -0.15 0.74 -0.00 0.00 0.00 177.93 178.61 1lm1 h PHE 653 N 0.36 0.70 -0.08 2.45 0.04 -1.39 -2.15 116.94 116.88 1lm1 h PHE 653 Ca 0.25 -0.13 -0.24 0.00 2.80 0.00 0.00 57.97 60.66 1lm1 h PHE 653 Cb 0.29 -0.18 0.01 0.00 2.20 0.00 0.00 35.95 38.27 1lm1 h PHE 653 CO -0.17 0.76 -0.89 0.00 -0.60 0.00 0.00 178.31 177.41 1lm1 h ALA 654 N 1.26 0.28 -0.93 2.45 0.00 -1.37 0.33 119.26 121.28 1lm1 h ALA 654 Ca 0.10 -0.65 0.12 0.00 0.00 0.00 0.00 54.91 54.48 1lm1 h ALA 654 Cb 0.59 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1lm1 h ALA 654 CO 0.04 0.71 0.56 0.00 0.00 0.00 0.00 179.25 180.56 1lm1 h LEU 656 N 0.88 -0.32 -1.69 0.00 4.07 -0.44 -0.50 115.31 117.32 1lm1 h LEU 656 Ca 0.47 -0.19 -0.02 0.00 0.08 0.00 0.00 57.88 58.21 1lm1 h LEU 656 Cb 0.49 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 1lm1 h LEU 656 CO -0.28 0.05 -0.04 0.58 -1.08 0.00 0.00 178.44 177.68 1lm1 h VAL 657 N -0.75 1.10 0.40 1.22 2.07 -0.42 0.37 116.25 120.23 1lm1 h VAL 657 Ca -0.04 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1lm1 h VAL 657 Cb 0.50 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1lm1 h VAL 657 CO 0.06 0.13 -0.46 1.23 0.02 0.00 0.00 177.57 178.55 1lm1 h GLY 658 N 0.42 -1.21 -3.06 2.17 0.00 -0.05 -2.24 103.07 99.10 1lm1 h GLY 658 Ca 0.04 0.58 -0.27 0.00 0.00 0.00 0.00 47.33 47.67 1lm1 h GLY 658 CO 0.01 -0.35 0.34 -1.72 0.00 0.00 0.00 176.54 174.81 1lm1 n TYR 659 N -5.19 1.66 0.00 5.60 4.02 -0.23 -4.36 117.16 118.66 1lm1 n TYR 659 Ca -0.10 -1.19 0.00 0.00 -0.01 0.00 0.00 57.90 56.60 1lm1 n TYR 659 Cb 0.41 -0.61 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 1lm1 n TYR 659 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1lm1 n GLY 660 N -0.36 1.05 3.65 2.72 0.00 -0.79 -3.38 105.19 108.09 1lm1 n GLY 660 Ca 0.32 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.86 1lm1 n GLY 660 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 n ALA 661 N 0.00 0.72 0.78 4.61 0.00 0.12 -4.62 120.51 122.13 1lm1 n ALA 661 Ca 0.00 0.44 0.12 0.00 0.00 0.00 0.00 53.44 54.00 1lm1 n ALA 661 Cb 0.00 -2.30 0.30 0.00 0.00 0.00 0.00 19.45 17.45 1lm1 n ALA 661 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1lm1 n SER 662 N 3.72 0.53 -3.60 0.00 7.64 0.36 -4.01 113.62 118.26 1lm1 n SER 662 Ca 0.18 0.13 0.04 0.00 1.01 0.00 0.00 58.87 60.23 1lm1 n SER 662 Cb 0.26 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1lm1 n SER 662 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lm1 s ALA 663 N -3.08 -2.54 -0.13 -0.43 0.00 -1.04 -4.80 121.76 109.75 1lm1 s ALA 663 Ca 0.10 0.88 -0.06 0.00 0.00 0.00 0.00 51.96 52.88 1lm1 s ALA 663 Cb 0.15 0.30 0.06 0.00 0.00 0.00 0.00 23.12 23.64 1lm1 s ALA 663 CO 0.67 -1.07 0.29 0.42 0.00 0.00 0.00 175.76 176.07 1lm1 s ILE 664 N -2.03 -0.24 -0.58 0.00 1.01 0.22 -0.79 121.20 118.79 1lm1 s ILE 664 Ca 0.17 0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.91 1lm1 s ILE 664 Cb 0.07 -0.46 0.15 0.00 0.01 0.00 0.00 42.46 42.23 1lm1 s ILE 664 CO -0.06 0.08 0.47 0.00 0.00 0.00 0.00 174.94 175.43 1lm1 n PRO 666 N 4.50 2.06 -0.30 0.00 -0.04 -1.26 -1.90 135.00 138.05 1lm1 n PRO 666 Ca -0.01 -1.13 0.12 0.00 -0.04 0.00 0.00 63.50 62.43 1lm1 n PRO 666 Cb 0.41 -2.13 0.26 0.00 -0.04 0.00 0.00 33.50 32.01 1lm1 n PRO 666 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1lm1 h TYR 667 N 4.09 0.15 0.07 0.54 -0.00 -1.79 0.58 116.97 120.60 1lm1 h TYR 667 Ca 0.32 0.06 -0.25 0.00 0.00 0.00 0.00 58.73 58.85 1lm1 h TYR 667 Cb 0.97 0.08 -0.01 0.00 0.00 0.00 0.00 36.73 37.76 1lm1 h TYR 667 CO 1.73 -0.29 -1.19 1.25 -0.00 0.00 0.00 178.16 179.66 1lm1 h LEU 668 N 0.12 0.23 0.43 0.10 6.46 -1.76 -1.37 115.31 119.52 1lm1 h LEU 668 Ca 0.54 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 58.03 1lm1 h LEU 668 Cb 1.07 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.90 1lm1 h LEU 668 CO -0.74 1.21 -0.47 0.00 -0.62 0.00 0.00 178.44 177.83 1lm1 h ALA 669 N 0.76 -1.02 -1.01 1.25 0.00 -1.10 -0.59 119.26 117.55 1lm1 h ALA 669 Ca -0.10 -0.16 0.21 0.00 0.00 0.00 0.00 54.91 54.85 1lm1 h ALA 669 Cb 1.90 0.68 -0.11 0.00 0.00 0.00 0.00 17.79 20.26 1lm1 h ALA 669 CO 0.16 -1.12 0.61 -0.07 0.00 0.00 0.00 179.25 178.84 1lm1 h LEU 670 N -0.92 0.76 -0.96 0.00 3.38 -0.94 0.89 115.31 117.52 1lm1 h LEU 670 Ca -0.05 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1lm1 h LEU 670 Cb 0.81 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1lm1 h LEU 670 CO -0.08 0.23 0.63 -0.08 0.09 0.00 0.00 178.44 179.22 1lm1 h GLU 671 N 0.71 1.21 0.00 1.13 4.57 -0.95 -2.37 114.58 118.89 1lm1 h GLU 671 Ca 0.60 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.67 1lm1 h GLU 671 Cb 0.99 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 1lm1 h GLU 671 CO -0.41 0.80 -0.18 0.77 -1.18 0.00 0.00 179.01 178.81 1lm1 h SER 672 N 1.25 0.00 -0.16 1.04 0.02 0.24 0.26 113.55 116.19 1lm1 h SER 672 Ca 0.37 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1lm1 h SER 672 Cb -0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1lm1 h SER 672 CO -0.10 0.18 0.02 0.58 -1.14 0.00 0.00 176.83 176.37 1lm1 h VAL 673 N 0.00 1.23 0.03 2.27 2.07 -1.07 -1.56 116.25 119.21 1lm1 h VAL 673 Ca -0.00 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1lm1 h VAL 673 Cb 0.58 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1lm1 h VAL 673 CO 0.02 0.23 -0.36 0.03 0.02 0.00 0.00 177.57 177.51 1lm1 h ARG 674 N 0.05 -0.46 -0.83 1.57 3.08 -0.96 -1.44 114.38 115.40 1lm1 h ARG 674 Ca 0.05 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.20 1lm1 h ARG 674 Cb 0.33 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1lm1 h ARG 674 CO 0.00 -0.30 0.54 1.96 -1.07 0.00 0.00 179.97 181.10 1lm1 h GLN 675 N -0.47 0.87 0.60 0.04 1.08 -0.62 0.21 115.11 116.82 1lm1 h GLN 675 Ca 0.00 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1lm1 h GLN 675 Cb 0.50 -0.20 0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1lm1 h GLN 675 CO -0.23 0.58 -0.29 2.35 -0.95 0.00 0.00 178.83 180.29 1lm1 h TRP 676 N 0.90 -0.74 -0.71 2.96 7.01 -1.18 -3.21 115.95 120.98 1lm1 h TRP 676 Ca 0.36 -0.02 0.15 0.00 2.11 0.00 0.00 58.89 61.49 1lm1 h TRP 676 Cb 0.25 0.25 -0.10 0.00 -2.10 0.00 0.00 29.16 27.46 1lm1 h TRP 676 CO -0.00 -0.46 0.19 2.35 -2.79 0.00 0.00 178.44 177.73 1lm1 h TRP 677 N -0.85 0.30 -1.92 2.65 7.01 -1.12 -3.33 115.95 118.69 1lm1 h TRP 677 Ca -0.08 0.04 -0.75 0.00 2.11 0.00 0.00 58.89 60.21 1lm1 h TRP 677 Cb 0.61 -0.02 -0.17 0.00 -2.10 0.00 0.00 29.16 27.48 1lm1 h TRP 677 CO 0.08 -0.05 1.58 1.28 -2.79 0.00 0.00 178.44 178.54 1lm1 n LEU 678 N -5.12 5.85 -3.64 0.65 4.77 0.73 -4.14 117.00 116.11 1lm1 n LEU 678 Ca 0.13 -4.58 -0.05 0.00 -0.03 0.00 0.00 56.01 51.48 1lm1 n LEU 678 Cb 0.42 -1.55 -0.07 0.00 -2.33 0.00 0.00 43.42 39.90 1lm1 n LEU 678 CO 0.15 1.05 1.00 -0.62 -1.33 0.00 0.00 177.39 177.63 1lm1 s ASP 679 N 1.82 -0.20 0.06 -1.43 -1.08 -1.25 -4.76 116.67 109.82 1lm1 s ASP 679 Ca 0.41 0.37 -0.32 0.00 -0.52 0.00 0.00 52.55 52.49 1lm1 s ASP 679 Cb 0.02 0.37 -0.18 0.00 -1.46 0.00 0.00 42.92 41.67 1lm1 s ASP 679 CO 0.00 -0.08 1.55 1.05 0.52 0.00 0.00 175.17 178.21 1lm1 h GLU 680 N 3.37 -0.84 -0.97 4.34 4.11 -1.90 -1.67 114.58 121.03 1lm1 h GLU 680 Ca -0.25 0.06 0.12 0.00 0.07 0.00 0.00 59.36 59.36 1lm1 h GLU 680 Cb 1.19 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 30.49 1lm1 h GLU 680 CO 0.17 -0.54 -0.46 1.63 0.07 0.00 0.00 179.01 179.87 1lm1 n LYS 681 N -5.45 -0.31 0.40 1.06 5.02 -1.26 0.97 118.16 118.60 1lm1 n LYS 681 Ca -0.13 1.48 -0.16 0.00 -2.02 0.00 0.00 58.31 57.48 1lm1 n LYS 681 Cb 0.36 -2.19 -0.07 0.00 -0.02 0.00 0.00 35.03 33.11 1lm1 n LYS 681 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1lm1 h THR 682 N 0.00 0.00 -1.06 -0.18 2.02 -1.81 -1.59 112.91 110.29 1lm1 h THR 682 Ca 0.26 -0.13 0.28 0.00 0.77 0.00 0.00 66.41 67.60 1lm1 h THR 682 Cb 0.50 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.82 1lm1 h THR 682 CO -0.94 0.00 0.69 1.56 0.37 0.00 0.00 175.52 177.20 1lm1 h GLN 683 N -1.15 0.34 0.75 6.66 4.20 -0.24 0.03 115.11 125.69 1lm1 h GLN 683 Ca -0.10 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1lm1 h GLN 683 Cb 0.78 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.50 1lm1 h GLN 683 CO 0.17 0.22 -0.36 0.87 -0.67 0.00 0.00 178.83 179.06 1lm1 h LYS 684 N 0.35 -0.98 -0.24 1.46 6.56 0.80 -0.19 116.57 124.33 1lm1 h LYS 684 Ca 0.60 0.07 0.07 0.00 -1.06 0.00 0.00 60.65 60.33 1lm1 h LYS 684 Cb 1.61 0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 33.48 1lm1 h LYS 684 CO -0.28 -0.65 0.36 -0.07 -2.06 0.00 0.00 179.45 176.75 1lm1 h LEU 685 N -1.04 0.00 -0.03 2.94 3.38 -0.17 0.44 115.31 120.82 1lm1 h LEU 685 Ca -0.10 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.61 1lm1 h LEU 685 Cb 0.78 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.54 1lm1 h LEU 685 CO 0.17 0.00 -1.09 0.24 0.09 0.00 0.00 178.44 177.86 1lm1 h MET 686 N 0.00 0.44 0.00 1.13 2.86 -0.67 -0.85 114.93 117.84 1lm1 h MET 686 Ca 0.11 -0.55 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1lm1 h MET 686 Cb 0.83 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1lm1 h MET 686 CO -0.00 1.20 0.00 0.39 1.06 0.00 0.00 176.91 179.56 1lm1 n GLU 687 N -3.71 0.06 -3.15 1.72 1.02 0.15 -3.79 120.64 112.93 1lm1 n GLU 687 Ca -0.09 0.49 0.06 0.00 -0.02 0.00 0.00 57.16 57.60 1lm1 n GLU 687 Cb 0.91 -1.66 -0.01 0.00 -0.02 0.00 0.00 31.44 30.66 1lm1 n GLU 687 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1lm1 s ASN 688 N -3.39 -0.09 0.00 1.62 2.20 -1.04 -5.10 114.94 109.14 1lm1 s ASN 688 Ca 0.01 0.04 0.00 0.00 -0.94 0.00 0.00 52.86 51.96 1lm1 s ASN 688 Cb 0.04 1.07 0.00 0.00 -2.00 0.00 0.00 41.25 40.36 1lm1 s ASN 688 CO 0.13 -0.02 0.00 0.61 -2.94 0.00 0.00 177.10 174.88 1lm1 n GLY 689 N 5.31 0.99 3.62 0.45 0.00 -0.70 -4.51 105.19 110.34 1lm1 n GLY 689 Ca -0.01 -0.48 -0.49 0.00 0.00 0.00 0.00 46.02 45.03 1lm1 n GLY 689 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lm1 n ARG 690 N 0.00 1.49 -1.55 1.61 1.74 -0.41 -4.83 116.66 114.71 1lm1 n ARG 690 Ca 0.00 0.54 -0.32 0.00 -0.77 0.00 0.00 57.85 57.29 1lm1 n ARG 690 Cb 0.00 -2.19 -0.05 0.00 -1.02 0.00 0.00 32.46 29.20 1lm1 n ARG 690 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1lm1 n LEU 691 N 2.67 2.02 -3.46 0.55 4.77 -1.26 -3.99 117.00 118.30 1lm1 n LEU 691 Ca 0.17 -0.64 -0.40 0.00 -0.03 0.00 0.00 56.01 55.11 1lm1 n LEU 691 Cb 0.23 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 39.77 1lm1 n LEU 691 CO 0.62 -1.71 3.04 -0.67 -1.33 0.00 0.00 177.39 177.35 1lm1 n ASP 692 N 15.92 7.30 -3.58 -1.43 2.03 -1.25 -4.43 116.55 131.10 1lm1 n ASP 692 Ca 0.41 -2.73 -0.29 0.00 0.52 0.00 0.00 54.79 52.70 1lm1 n ASP 692 Cb 0.48 -1.56 -0.08 0.00 -0.72 0.00 0.00 41.12 39.25 1lm1 n ASP 692 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1lm1 n ARG 693 N 3.99 2.62 -2.82 -0.67 1.74 -1.26 -4.96 116.66 115.29 1lm1 n ARG 693 Ca 0.68 -4.63 -0.03 0.00 -0.77 0.00 0.00 57.85 53.11 1lm1 n ARG 693 Cb 0.28 -2.30 0.01 0.00 -1.02 0.00 0.00 32.46 29.43 1lm1 n ARG 693 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1lm1 s ILE 694 N -2.31 -0.82 0.81 0.55 -1.09 -1.26 -4.94 121.20 112.14 1lm1 s ILE 694 Ca 0.36 -0.64 -0.11 0.00 -2.23 0.00 0.00 60.65 58.04 1lm1 s ILE 694 Cb 0.10 0.00 0.08 0.00 -1.58 0.00 0.00 42.46 41.06 1lm1 s ILE 694 CO -0.03 0.00 1.10 1.51 -1.23 0.00 0.00 174.94 176.29 1lm1 s ASP 695 N 1.12 4.10 0.25 3.58 -4.77 -1.26 -4.81 116.67 114.88 1lm1 s ASP 695 Ca 0.26 1.80 -0.05 0.00 -3.30 0.00 0.00 52.55 51.26 1lm1 s ASP 695 Cb 0.02 -2.46 0.30 0.00 -1.09 0.00 0.00 42.92 39.68 1lm1 s ASP 695 CO -0.07 -2.29 1.91 0.25 0.70 0.00 0.00 175.17 175.67 1lm1 h LEU 696 N -1.31 1.09 -1.47 2.11 5.85 -2.00 0.30 115.31 119.89 1lm1 h LEU 696 Ca -0.45 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.33 1lm1 h LEU 696 Cb 1.25 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1lm1 h LEU 696 CO 0.51 0.76 0.62 -0.65 -0.34 0.00 0.00 178.44 179.34 1lm1 h PRO 697 N 1.27 0.00 0.09 5.25 0.11 -1.99 -0.95 132.00 135.79 1lm1 h PRO 697 Ca 0.38 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 66.12 1lm1 h PRO 697 Cb -0.05 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 1lm1 h PRO 697 CO -0.11 0.00 -2.09 2.41 -0.21 0.00 0.00 178.00 178.00 1lm1 n THR 698 N -3.08 1.69 0.10 -1.15 -1.04 0.10 -2.27 114.28 108.64 1lm1 n THR 698 Ca 0.04 -0.60 -0.14 0.00 -2.04 0.00 0.00 64.05 61.32 1lm1 n THR 698 Cb 0.73 -1.68 -0.07 0.00 -1.82 0.00 0.00 70.33 67.48 1lm1 n THR 698 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1lm1 h ALA 699 N -0.00 -0.75 0.08 2.41 0.00 -1.09 0.18 119.26 120.08 1lm1 h ALA 699 Ca -0.46 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.39 1lm1 h ALA 699 Cb 1.95 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 20.44 1lm1 h ALA 699 CO 0.02 -0.99 -0.38 -0.07 0.00 0.00 0.00 179.25 177.83 1lm1 h LEU 700 N -0.64 -1.14 -2.18 0.00 -0.00 -1.39 0.54 115.31 110.50 1lm1 h LEU 700 Ca 0.03 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1lm1 h LEU 700 Cb 0.68 0.42 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1lm1 h LEU 700 CO -0.27 -0.40 0.25 0.50 -0.00 0.00 0.00 178.44 178.53 1lm1 h LYS 701 N -0.53 0.00 0.02 1.13 3.11 -1.24 -1.72 116.57 117.34 1lm1 h LYS 701 Ca -0.00 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.61 1lm1 h LYS 701 Cb 0.54 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.74 1lm1 h LYS 701 CO -0.21 0.00 -1.20 -0.91 -2.81 0.00 0.00 179.45 174.32 1lm1 h ASN 702 N 0.00 0.05 -0.81 4.20 4.21 -0.18 -2.47 115.58 120.57 1lm1 h ASN 702 Ca 0.00 -0.60 0.16 0.00 1.21 0.00 0.00 56.30 57.07 1lm1 h ASN 702 Cb 0.51 -0.02 -0.15 0.00 -1.12 0.00 0.00 38.32 37.54 1lm1 h ASN 702 CO 0.00 1.48 -0.20 0.22 -1.29 0.00 0.00 177.43 177.64 1lm1 h TYR 703 N -0.89 -0.43 -0.00 1.19 3.20 0.98 -1.21 116.97 119.81 1lm1 h TYR 703 Ca -0.32 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.59 1lm1 h TYR 703 Cb 1.35 0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.94 1lm1 h TYR 703 CO 0.11 -0.35 -0.11 -0.09 -1.64 0.00 0.00 178.16 176.09 1lm1 h ARG 704 N 0.00 0.08 0.00 1.82 2.43 -1.58 -2.81 114.38 114.32 1lm1 h ARG 704 Ca 0.39 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1lm1 h ARG 704 Cb 0.59 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1lm1 h ARG 704 CO -0.83 0.83 0.46 0.37 -1.51 0.00 0.00 179.97 179.29 1lm1 h GLN 705 N -0.64 0.00 0.05 0.20 4.15 -1.18 1.01 115.11 118.70 1lm1 h GLN 705 Ca -0.01 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.07 1lm1 h GLN 705 Cb 0.86 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.51 1lm1 h GLN 705 CO 0.02 0.00 -1.96 0.45 -1.93 0.00 0.00 178.83 175.41 1lm1 n SER 706 N -2.56 1.39 -0.13 -0.69 2.88 -0.48 -2.69 113.62 111.34 1lm1 n SER 706 Ca -0.01 0.25 -0.11 0.00 -1.33 0.00 0.00 58.87 57.67 1lm1 n SER 706 Cb 0.49 -0.31 -0.02 0.00 -0.75 0.00 0.00 64.21 63.62 1lm1 n SER 706 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1lm1 h VAL 707 N 0.03 1.26 -0.51 2.46 2.07 0.11 -2.51 116.25 119.16 1lm1 h VAL 707 Ca -0.39 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.15 1lm1 h VAL 707 Cb 2.04 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 32.93 1lm1 h VAL 707 CO 0.06 0.35 0.18 -0.33 0.02 0.00 0.00 177.57 177.86 1lm1 h GLU 708 N 0.51 0.35 -0.09 1.57 5.08 -0.41 -0.67 114.58 120.91 1lm1 h GLU 708 Ca 0.11 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1lm1 h GLU 708 Cb 0.51 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1lm1 h GLU 708 CO 0.02 0.23 -0.01 0.00 -1.00 0.00 0.00 179.01 178.25 1lm1 h ALA 709 N 1.35 1.82 -0.07 3.43 0.00 -1.38 -0.06 119.26 124.34 1lm1 h ALA 709 Ca 0.25 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1lm1 h ALA 709 Cb 0.27 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1lm1 h ALA 709 CO -0.26 0.14 -0.38 0.78 0.00 0.00 0.00 179.25 179.54 1lm1 h GLY 710 N 0.31 0.43 0.98 0.00 0.00 -0.92 -0.56 103.07 103.31 1lm1 h GLY 710 Ca 0.03 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1lm1 h GLY 710 CO 0.00 0.54 0.27 1.41 0.00 0.00 0.00 176.54 178.76 1lm1 h LEU 711 N -0.09 0.62 -0.33 3.11 3.38 -0.88 -0.41 115.31 120.72 1lm1 h LEU 711 Ca -0.03 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1lm1 h LEU 711 Cb 1.03 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 1lm1 h LEU 711 CO 0.08 0.54 -0.18 -0.26 0.09 0.00 0.00 178.44 178.71 1lm1 h PHE 712 N 0.66 -0.44 0.16 1.13 0.05 -0.92 -1.16 116.94 116.42 1lm1 h PHE 712 Ca 0.18 0.04 0.01 0.00 3.82 0.00 0.00 57.97 62.02 1lm1 h PHE 712 Cb 0.05 0.25 -0.03 0.00 2.00 0.00 0.00 35.95 38.22 1lm1 h PHE 712 CO -0.02 -0.25 -0.25 -0.22 -0.18 0.00 0.00 178.31 177.39 1lm1 h LYS 713 N -0.13 -0.46 -0.79 1.51 3.64 -0.62 -0.41 116.57 119.31 1lm1 h LYS 713 Ca 0.17 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1lm1 h LYS 713 Cb 0.39 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 1lm1 h LYS 713 CO -0.41 -0.31 0.51 0.82 -2.27 0.00 0.00 179.45 177.79 1lm1 h ILE 714 N -0.48 1.13 -0.06 2.00 2.04 -0.84 -0.08 117.51 121.22 1lm1 h ILE 714 Ca 0.02 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1lm1 h ILE 714 Cb 0.49 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1lm1 h ILE 714 CO -0.12 0.18 -0.02 -0.07 0.00 0.00 0.00 178.15 178.13 1lm1 h LEU 715 N 1.00 -0.07 -1.67 1.44 3.38 -0.45 -1.95 115.31 116.99 1lm1 h LEU 715 Ca 0.31 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 1lm1 h LEU 715 Cb -0.01 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1lm1 h LEU 715 CO -0.11 -0.03 -0.18 0.77 0.09 0.00 0.00 178.44 178.98 1lm1 h SER 716 N -0.01 0.00 0.00 -0.43 4.64 0.03 0.95 113.55 118.73 1lm1 h SER 716 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1lm1 h SER 716 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1lm1 h SER 716 CO -0.07 0.18 0.40 0.11 -0.87 0.00 0.00 176.83 176.58 1lm1 h LYS 717 N 0.00 0.00 0.00 4.77 1.57 -0.23 0.12 116.57 122.80 1lm1 h LYS 717 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1lm1 h LYS 717 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1lm1 h LYS 717 CO 0.02 0.00 -0.01 -0.12 -0.57 0.00 0.00 179.45 178.77 1lm1 n MET 718 N -2.51 2.17 -3.13 3.15 0.00 0.25 -0.05 117.12 117.00 1lm1 n MET 718 Ca -0.01 -1.41 -0.20 0.00 0.00 0.00 0.00 57.70 56.08 1lm1 n MET 718 Cb 0.43 -0.94 0.05 0.00 0.00 0.00 0.00 33.22 32.75 1lm1 n MET 718 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1lm1 n GLY 719 N -0.49 -0.34 3.82 -5.12 0.00 -0.00 -4.64 105.19 98.42 1lm1 n GLY 719 Ca 0.02 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1lm1 n GLY 719 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lm1 s ILE 720 N -3.17 5.43 -0.07 -0.61 1.01 -0.72 -4.57 121.20 118.51 1lm1 s ILE 720 Ca 0.36 0.27 -0.14 0.00 0.00 0.00 0.00 60.65 61.14 1lm1 s ILE 720 Cb -0.16 -3.46 -0.29 0.00 0.01 0.00 0.00 42.46 38.56 1lm1 s ILE 720 CO 0.45 0.55 0.63 0.28 0.00 0.00 0.00 174.94 176.84 1lm1 h SER 721 N 5.59 0.50 -3.24 3.58 0.02 -1.88 -3.35 113.55 114.76 1lm1 h SER 721 Ca -0.50 -0.90 -0.62 0.00 -0.84 0.00 0.00 61.79 58.93 1lm1 h SER 721 Cb 1.20 -0.16 -0.34 0.00 0.14 0.00 0.00 62.40 63.23 1lm1 h SER 721 CO 0.65 1.69 -0.85 -0.76 -1.14 0.00 0.00 176.83 176.42 1lm1 s LEU 722 N -7.46 1.88 0.26 5.07 1.43 -1.26 -2.28 118.68 116.33 1lm1 s LEU 722 Ca -0.18 -0.50 0.13 0.00 -1.03 0.00 0.00 54.13 52.55 1lm1 s LEU 722 Cb 0.05 -1.23 0.91 0.00 0.03 0.00 0.00 46.19 45.94 1lm1 s LEU 722 CO 0.81 0.04 1.17 -0.11 0.23 0.00 0.00 176.35 178.49 1lm1 n LEU 723 N 4.13 0.19 -0.22 1.79 7.94 -0.91 0.23 117.00 130.14 1lm1 n LEU 723 Ca -0.19 1.23 0.01 0.00 -1.11 0.00 0.00 56.01 55.95 1lm1 n LEU 723 Cb 0.51 -0.57 0.09 0.00 0.53 0.00 0.00 43.42 43.99 1lm1 n LEU 723 CO 0.25 -1.36 0.77 0.00 -1.11 0.00 0.00 177.39 175.95 1lm1 h ALA 724 N 1.48 0.54 -0.22 1.96 0.00 -1.82 0.85 119.26 122.05 1lm1 h ALA 724 Ca 0.59 0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.65 1lm1 h ALA 724 Cb 1.51 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 1lm1 h ALA 724 CO -0.60 -0.42 -0.19 0.77 0.00 0.00 0.00 179.25 178.82 1lm1 h SER 725 N 0.04 0.55 -0.99 0.00 0.02 0.26 -3.26 113.55 110.16 1lm1 h SER 725 Ca 0.33 -0.46 0.17 0.00 -0.84 0.00 0.00 61.79 60.99 1lm1 h SER 725 Cb 0.53 -0.15 -0.10 0.00 0.14 0.00 0.00 62.40 62.83 1lm1 h SER 725 CO -0.63 0.89 0.62 0.22 -1.14 0.00 0.00 176.83 176.79 1lm1 h TYR 726 N 0.21 1.04 0.03 3.45 3.20 -0.50 -3.29 116.97 121.11 1lm1 h TYR 726 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1lm1 h TYR 726 Cb 0.73 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 1lm1 h TYR 726 CO 0.07 0.29 -0.07 1.25 -1.64 0.00 0.00 178.16 178.07 1lm1 h HIS 727 N 0.80 -0.19 -0.50 -3.82 2.76 -0.91 -1.91 115.15 111.38 1lm1 h HIS 727 Ca 0.54 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.82 1lm1 h HIS 727 Cb 0.80 0.08 -0.10 0.00 1.55 0.00 0.00 27.41 29.73 1lm1 h HIS 727 CO -0.00 -0.08 -0.24 0.78 -1.30 0.00 0.00 177.93 177.08 1lm1 h GLY 728 N -0.11 0.07 -1.11 5.26 0.00 -1.74 -3.37 103.07 102.08 1lm1 h GLY 728 Ca -0.00 0.32 -0.33 0.00 0.00 0.00 0.00 47.33 47.31 1lm1 h GLY 728 CO -0.03 -0.22 -0.37 0.00 0.00 0.00 0.00 176.54 175.93 1lm1 n ALA 729 N -3.01 -2.95 -3.16 3.60 0.00 -0.72 -4.55 120.51 109.73 1lm1 n ALA 729 Ca 0.04 -1.39 -0.22 0.00 0.00 0.00 0.00 53.44 51.88 1lm1 n ALA 729 Cb 0.32 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 1lm1 n ALA 729 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1lm1 n GLN 730 N -3.40 0.77 -1.24 0.00 6.02 -1.26 -4.52 117.38 113.76 1lm1 n GLN 730 Ca 0.07 -3.15 -0.22 0.00 -0.01 0.00 0.00 57.00 53.69 1lm1 n GLN 730 Cb 0.50 -1.33 -0.11 0.00 1.02 0.00 0.00 30.24 30.32 1lm1 n GLN 730 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1lm1 n ILE 731 N 1.17 3.46 -4.31 5.09 5.41 -1.26 -4.72 119.36 124.19 1lm1 n ILE 731 Ca 0.21 -2.22 -0.16 0.00 1.00 0.00 0.00 62.75 61.57 1lm1 n ILE 731 Cb 0.57 -2.02 -0.10 0.00 -0.71 0.00 0.00 39.64 37.37 1lm1 n ILE 731 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1lm1 s PHE 732 N 0.43 1.51 -0.11 1.39 0.40 -1.26 -1.51 117.98 118.84 1lm1 s PHE 732 Ca 0.65 -1.20 -0.01 0.00 -0.60 0.00 0.00 56.93 55.77 1lm1 s PHE 732 Cb 0.30 -0.88 0.03 0.00 0.51 0.00 0.00 43.02 42.98 1lm1 s PHE 732 CO -0.07 -0.36 -0.05 -2.00 0.70 0.00 0.00 175.22 173.44 1lm1 s GLU 733 N -4.04 1.28 0.28 0.44 2.12 0.29 -4.61 118.70 114.45 1lm1 s GLU 733 Ca 0.38 -0.18 -0.20 0.00 0.36 0.00 0.00 54.97 55.32 1lm1 s GLU 733 Cb 0.08 -1.47 -0.09 0.00 0.26 0.00 0.00 34.13 32.91 1lm1 s GLU 733 CO 0.14 -0.29 0.79 0.00 -0.54 0.00 0.00 175.26 175.35 1lm1 s ALA 734 N 1.77 3.33 -0.08 6.30 0.00 -0.37 -1.11 121.76 131.60 1lm1 s ALA 734 Ca 0.05 0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 1lm1 s ALA 734 Cb -0.13 -2.91 0.04 0.00 0.00 0.00 0.00 23.12 20.12 1lm1 s ALA 734 CO -0.07 0.28 0.05 0.42 0.00 0.00 0.00 175.76 176.44 1lm1 s ILE 735 N -1.67 0.03 0.00 0.00 1.01 0.44 -4.09 121.20 116.92 1lm1 s ILE 735 Ca 0.48 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1lm1 s ILE 735 Cb -0.15 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 41.96 1lm1 s ILE 735 CO 0.20 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1lm1 n GLY 736 N 5.25 0.68 3.73 6.18 0.00 -1.26 -4.72 105.19 115.05 1lm1 n GLY 736 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1lm1 n GLY 736 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lm1 s LEU 737 N 0.00 4.23 0.88 0.99 1.43 -1.26 0.17 118.68 125.13 1lm1 s LEU 737 Ca 0.00 0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 1lm1 s LEU 737 Cb 0.00 -2.26 0.12 0.00 0.03 0.00 0.00 46.19 44.08 1lm1 s LEU 737 CO 0.00 0.13 1.10 -0.83 0.23 0.00 0.00 176.35 176.98 1lm1 s GLY 738 N 0.40 1.61 0.12 -3.19 0.00 0.31 -1.91 107.32 104.64 1lm1 s GLY 738 Ca 0.13 -0.21 -0.21 0.00 0.00 0.00 0.00 44.72 44.43 1lm1 s GLY 738 CO 0.02 0.28 1.73 0.00 0.00 0.00 0.00 173.10 175.13 1lm1 h ALA 739 N -1.46 0.13 -0.40 3.20 0.00 -1.88 -1.90 119.26 116.96 1lm1 h ALA 739 Ca -0.50 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1lm1 h ALA 739 Cb 1.29 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1lm1 h ALA 739 CO 0.57 -0.43 -0.15 0.93 0.00 0.00 0.00 179.25 180.17 1lm1 h GLU 740 N 0.07 0.74 -0.27 0.00 3.07 -1.93 0.19 114.58 116.44 1lm1 h GLU 740 Ca 0.07 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.66 1lm1 h GLU 740 Cb 0.07 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1lm1 h GLU 740 CO -0.10 0.85 0.13 1.25 -1.40 0.00 0.00 179.01 179.74 1lm1 h LEU 741 N 0.66 0.35 -0.16 1.33 5.85 -1.80 -1.54 115.31 120.00 1lm1 h LEU 741 Ca 0.11 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1lm1 h LEU 741 Cb 0.62 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1lm1 h LEU 741 CO 0.04 0.38 0.07 0.58 -0.34 0.00 0.00 178.44 179.18 1lm1 h VAL 742 N 0.30 1.14 -0.69 1.05 2.07 -0.70 -0.15 116.25 119.27 1lm1 h VAL 742 Ca 0.09 -0.40 0.09 0.00 0.82 0.00 0.00 66.70 67.30 1lm1 h VAL 742 Cb 0.12 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 1lm1 h VAL 742 CO -0.01 0.13 0.33 -0.08 0.02 0.00 0.00 177.57 177.96 1lm1 h GLU 743 N 0.12 0.55 -0.06 1.57 4.57 -0.64 0.43 114.58 121.12 1lm1 h GLU 743 Ca 0.05 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1lm1 h GLU 743 Cb 0.14 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1lm1 h GLU 743 CO -0.01 0.36 -0.06 -0.92 -1.18 0.00 0.00 179.01 177.21 1lm1 h TYR 744 N 0.57 0.17 0.02 0.92 -0.00 -0.89 -3.34 116.97 114.41 1lm1 h TYR 744 Ca 0.34 -0.05 -0.39 0.00 -0.00 0.00 0.00 58.73 58.63 1lm1 h TYR 744 Cb 0.37 -0.04 -0.06 0.00 -0.00 0.00 0.00 36.73 37.01 1lm1 h TYR 744 CO -0.12 0.60 -2.39 0.00 -0.00 0.00 0.00 178.16 176.26 1lm1 n ALA 745 N -2.38 1.31 -3.42 1.82 0.00 -0.10 -4.49 120.51 113.24 1lm1 n ALA 745 Ca -0.08 -1.02 -0.26 0.00 0.00 0.00 0.00 53.44 52.09 1lm1 n ALA 745 Cb 0.30 -0.17 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 1lm1 n ALA 745 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1lm1 n PHE 746 N -3.46 1.30 -2.28 0.00 3.01 0.15 -3.50 117.46 112.68 1lm1 n PHE 746 Ca -0.45 -3.81 -0.42 0.00 1.01 0.00 0.00 57.45 53.78 1lm1 n PHE 746 Cb 0.98 -0.33 -0.03 0.00 -0.01 0.00 0.00 39.48 40.09 1lm1 n PHE 746 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lm1 s ALA 747 N -1.35 3.54 -0.11 4.37 0.00 -0.99 -3.12 121.76 124.09 1lm1 s ALA 747 Ca 0.34 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1lm1 s ALA 747 Cb 0.10 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1lm1 s ALA 747 CO -0.11 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.28 1lm1 n GLY 748 N 3.52 0.48 3.78 0.00 0.00 -1.26 -5.05 105.19 106.67 1lm1 n GLY 748 Ca 0.12 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 1lm1 n GLY 748 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lm1 s THR 749 N -2.02 4.53 0.17 2.61 2.01 -1.18 -5.04 115.64 116.72 1lm1 s THR 749 Ca 0.00 1.55 -0.30 0.00 0.31 0.00 0.00 61.69 63.25 1lm1 s THR 749 Cb 0.00 -4.06 -0.08 0.00 0.01 0.00 0.00 72.50 68.37 1lm1 s THR 749 CO 0.00 0.51 1.14 0.28 -0.69 0.00 0.00 174.62 175.86 1lm1 s THR 750 N -0.96 3.76 -0.42 -0.82 -1.32 -1.26 -4.86 115.64 109.75 1lm1 s THR 750 Ca 0.34 1.49 0.04 0.00 -1.21 0.00 0.00 61.69 62.35 1lm1 s THR 750 Cb -0.22 -3.95 0.17 0.00 -1.51 0.00 0.00 72.50 66.99 1lm1 s THR 750 CO 0.24 0.24 0.39 -0.55 -2.21 0.00 0.00 174.62 172.73 1lm1 s SER 751 N 0.06 1.05 0.00 8.08 0.15 -1.26 -1.23 113.70 120.55 1lm1 s SER 751 Ca 0.51 -2.86 0.21 0.00 0.70 0.00 0.00 55.95 54.51 1lm1 s SER 751 Cb -0.31 -0.11 1.19 0.00 -1.71 0.00 0.00 66.02 65.08 1lm1 s SER 751 CO 0.35 -0.16 1.64 0.54 1.20 0.00 0.00 173.24 176.81 1lm1 n ARG 752 N 2.90 0.55 -0.00 5.44 1.74 -1.26 -2.50 116.66 123.52 1lm1 n ARG 752 Ca 0.28 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1lm1 n ARG 752 Cb 0.49 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.41 1lm1 n ARG 752 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1lm1 n VAL 753 N -1.08 0.04 -2.91 1.55 0.31 -1.26 -4.55 118.33 110.43 1lm1 n VAL 753 Ca 0.14 -0.05 -0.01 0.00 -0.01 0.00 0.00 64.34 64.41 1lm1 n VAL 753 Cb 0.10 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.02 1lm1 n VAL 753 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lm1 n GLY 754 N 2.56 -2.44 0.00 2.92 0.00 -1.04 -0.78 105.19 106.41 1lm1 n GLY 754 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1lm1 n GLY 754 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm1 n GLY 755 N 1.36 0.40 3.31 -0.02 0.00 -0.63 -3.74 105.19 105.87 1lm1 n GLY 755 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1lm1 n GLY 755 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lm1 n LEU 756 N 0.00 -2.38 -4.70 0.99 4.32 0.45 -3.11 117.00 112.57 1lm1 n LEU 756 Ca 0.00 0.68 -0.24 0.00 -0.02 0.00 0.00 56.01 56.43 1lm1 n LEU 756 Cb 0.00 -0.94 -0.07 0.00 -1.62 0.00 0.00 43.42 40.78 1lm1 n LEU 756 CO 0.00 -4.28 -0.23 -0.89 -1.22 0.00 0.00 177.39 170.77 1lm1 s THR 757 N -1.92 2.72 0.17 -5.08 2.01 -1.26 -0.53 115.64 111.75 1lm1 s THR 757 Ca 0.60 -1.80 -0.15 0.00 0.31 0.00 0.00 61.69 60.66 1lm1 s THR 757 Cb -0.49 -2.92 0.09 0.00 0.01 0.00 0.00 72.50 69.19 1lm1 s THR 757 CO 0.63 -0.15 1.70 0.40 -0.69 0.00 0.00 174.62 176.51 1lm1 h ILE 758 N 1.62 0.70 0.39 1.82 2.04 -1.96 0.15 117.51 122.26 1lm1 h ILE 758 Ca -0.43 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1lm1 h ILE 758 Cb 1.25 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1lm1 h ILE 758 CO 0.66 0.03 -0.19 0.00 0.00 0.00 0.00 178.15 178.65 1lm1 h ALA 759 N 1.37 -0.52 -0.80 1.87 0.00 -1.98 0.23 119.26 119.43 1lm1 h ALA 759 Ca 0.21 -0.17 0.31 0.00 0.00 0.00 0.00 54.91 55.26 1lm1 h ALA 759 Cb 0.30 0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.15 1lm1 h ALA 759 CO -0.33 -0.69 0.33 -0.25 0.00 0.00 0.00 179.25 178.31 1lm1 n ASP 760 N -5.23 0.19 0.10 0.00 8.00 -0.98 0.14 116.55 118.77 1lm1 n ASP 760 Ca -0.10 1.33 -0.16 0.00 0.71 0.00 0.00 54.79 56.57 1lm1 n ASP 760 Cb 0.27 -0.61 -0.12 0.00 -0.02 0.00 0.00 41.12 40.64 1lm1 n ASP 760 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1lm1 h VAL 761 N 0.00 1.47 -0.14 2.53 -1.51 -0.12 -3.28 116.25 115.20 1lm1 h VAL 761 Ca 0.63 -2.93 0.04 0.00 -1.23 0.00 0.00 66.70 63.21 1lm1 h VAL 761 Cb 1.60 2.86 -0.07 0.00 -2.13 0.00 0.00 31.29 33.56 1lm1 h VAL 761 CO -0.65 0.86 -0.46 0.00 -1.23 0.00 0.00 177.57 176.09 1lm1 h ALA 762 N 0.57 -0.68 -1.16 5.19 0.00 0.47 -2.17 119.26 121.48 1lm1 h ALA 762 Ca -0.13 -0.02 0.33 0.00 0.00 0.00 0.00 54.91 55.08 1lm1 h ALA 762 Cb 1.92 0.86 -0.09 0.00 0.00 0.00 0.00 17.79 20.48 1lm1 h ALA 762 CO 0.20 -0.98 0.77 0.78 0.00 0.00 0.00 179.25 180.03 1lm1 h GLY 763 N -0.52 0.90 0.83 0.00 0.00 -1.35 -1.29 103.07 101.64 1lm1 h GLY 763 Ca 0.06 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.12 1lm1 h GLY 763 CO -0.41 -0.16 -0.54 -2.09 0.00 0.00 0.00 176.54 173.34 1lm1 h GLU 764 N 0.22 0.46 0.00 4.80 4.81 -1.46 -1.94 114.58 121.47 1lm1 h GLU 764 Ca 0.64 -0.42 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1lm1 h GLU 764 Cb 1.98 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 31.46 1lm1 h GLU 764 CO -0.24 1.07 -0.01 -0.39 -0.73 0.00 0.00 179.01 178.71 1lm1 h VAL 765 N 0.00 0.04 -0.18 0.32 -1.51 -0.92 -1.94 116.25 112.06 1lm1 h VAL 765 Ca -0.05 -0.26 -0.10 0.00 -1.23 0.00 0.00 66.70 65.05 1lm1 h VAL 765 Cb 1.22 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1lm1 h VAL 765 CO 0.11 0.01 -0.29 0.24 -1.23 0.00 0.00 177.57 176.40 1lm1 h MET 766 N 0.00 0.52 -0.64 5.19 2.86 -1.05 -1.03 114.93 120.78 1lm1 h MET 766 Ca -0.00 -0.32 0.13 0.00 -2.06 0.00 0.00 59.70 57.45 1lm1 h MET 766 Cb 0.24 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 31.84 1lm1 h MET 766 CO 0.00 0.92 0.12 0.28 1.06 0.00 0.00 176.91 179.29 1lm1 h VAL 767 N 0.17 0.59 -0.19 -2.22 2.07 -0.56 0.39 116.25 116.51 1lm1 h VAL 767 Ca 0.02 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1lm1 h VAL 767 Cb 0.87 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1lm1 h VAL 767 CO 0.07 0.04 0.00 0.49 0.02 0.00 0.00 177.57 178.19 1lm1 n PHE 768 N -5.16 0.24 0.05 1.57 0.99 -1.16 -3.40 117.46 110.60 1lm1 n PHE 768 Ca 0.10 -0.12 -0.05 0.00 -0.00 0.00 0.00 57.45 57.38 1lm1 n PHE 768 Cb 0.36 0.00 -0.10 0.00 -1.00 0.00 0.00 39.48 38.74 1lm1 n PHE 768 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1lm1 h HIS 769 N 2.35 0.00 -0.54 1.38 -0.00 0.35 -3.28 115.15 115.40 1lm1 h HIS 769 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 60.37 60.51 1lm1 h HIS 769 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.90 1lm1 h HIS 769 CO 0.12 0.89 0.38 0.78 -0.00 0.00 0.00 177.93 180.10 1lm1 h GLY 770 N 3.25 0.13 -4.44 5.26 0.00 -0.32 -3.34 103.07 103.60 1lm1 h GLY 770 Ca -0.08 -0.03 -0.64 0.00 0.00 0.00 0.00 47.33 46.58 1lm1 h GLY 770 CO 0.10 0.01 -0.14 1.03 0.00 0.00 0.00 176.54 177.55 1lm1 n MET 771 N -4.40 3.22 0.00 4.80 2.00 -1.25 -3.71 117.12 117.78 1lm1 n MET 771 Ca 0.10 -4.08 0.00 0.00 0.00 0.00 0.00 57.70 53.72 1lm1 n MET 771 Cb 0.56 -2.26 0.00 0.00 0.00 0.00 0.00 33.22 31.51 1lm1 n MET 771 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1lm1 n ALA 772 N -0.58 0.27 0.03 3.04 0.00 -1.25 -4.78 120.51 117.24 1lm1 n ALA 772 Ca 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1lm1 n ALA 772 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1lm1 n ALA 772 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1lm1 n PHE 773 N 0.00 -0.59 0.26 0.00 0.99 -1.26 -4.85 117.46 112.01 1lm1 n PHE 773 Ca 0.00 0.10 -0.11 0.00 -0.00 0.00 0.00 57.45 57.45 1lm1 n PHE 773 Cb 0.32 0.48 -0.05 0.00 -1.00 0.00 0.00 39.48 39.23 1lm1 n PHE 773 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1lm1 h PRO 774 N 0.00 -0.69 0.00 -1.08 0.13 -1.87 -3.47 132.00 125.03 1lm1 h PRO 774 Ca 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1lm1 h PRO 774 Cb 0.00 0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.29 1lm1 h PRO 774 CO 0.00 -0.46 0.00 0.39 -0.23 0.00 0.00 178.00 177.70 1lm1 n GLU 775 N -4.88 -0.69 -4.99 0.86 -0.58 -1.24 -5.04 120.64 104.06 1lm1 n GLU 775 Ca -0.09 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.33 1lm1 n GLU 775 Cb 0.28 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.00 1lm1 n GLU 775 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1lm1 s MET 776 N -1.77 3.12 -1.09 3.49 -1.94 -1.26 -4.77 119.30 115.08 1lm1 s MET 776 Ca 0.00 -0.78 -0.12 0.00 -1.71 0.00 0.00 55.69 53.08 1lm1 s MET 776 Cb 0.00 -2.45 0.23 0.00 2.01 0.00 0.00 34.83 34.62 1lm1 s MET 776 CO 0.00 0.25 1.15 0.00 -0.01 0.00 0.00 175.02 176.41 1lm1 s ALA 777 N 0.22 4.36 -0.11 3.03 0.00 -1.26 -4.82 121.76 123.19 1lm1 s ALA 777 Ca -0.12 -3.57 -0.07 0.00 0.00 0.00 0.00 51.96 48.20 1lm1 s ALA 777 Cb -0.16 -3.74 -0.05 0.00 0.00 0.00 0.00 23.12 19.16 1lm1 s ALA 777 CO 0.06 -2.42 -0.17 0.36 0.00 0.00 0.00 175.76 173.59 1lm1 n LYS 778 N 3.92 0.28 -3.76 0.00 2.85 -1.26 -4.97 118.16 115.22 1lm1 n LYS 778 Ca 0.26 0.12 -0.13 0.00 -1.05 0.00 0.00 58.31 57.51 1lm1 n LYS 778 Cb 0.42 -0.98 -0.10 0.00 -0.65 0.00 0.00 35.03 33.72 1lm1 n LYS 778 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1lm1 s LYS 779 N -2.30 0.44 0.46 -1.58 1.02 -1.26 -5.10 119.74 111.42 1lm1 s LYS 779 Ca -0.18 0.34 -0.23 0.00 0.02 0.00 0.00 55.97 55.92 1lm1 s LYS 779 Cb 0.06 0.21 -0.07 0.00 -0.52 0.00 0.00 37.83 37.51 1lm1 s LYS 779 CO 0.23 -0.07 1.20 -0.51 -0.92 0.00 0.00 175.35 175.28 1lm1 s LEU 780 N -0.11 4.02 0.96 3.17 1.02 -1.26 -4.94 118.68 121.54 1lm1 s LEU 780 Ca -0.03 2.40 -0.11 0.00 0.02 0.00 0.00 54.13 56.41 1lm1 s LEU 780 Cb -0.03 -4.20 0.17 0.00 0.02 0.00 0.00 46.19 42.15 1lm1 s LEU 780 CO 0.01 -0.98 1.10 -0.70 0.02 0.00 0.00 176.35 175.81 1lm1 s GLU 781 N -2.65 0.69 -0.22 1.70 2.12 -1.26 -4.00 118.70 115.08 1lm1 s GLU 781 Ca 0.63 1.20 0.02 0.00 0.36 0.00 0.00 54.97 57.18 1lm1 s GLU 781 Cb -0.31 -1.71 0.04 0.00 0.26 0.00 0.00 34.13 32.41 1lm1 s GLU 781 CO 0.38 -2.74 -0.13 1.21 -0.54 0.00 0.00 175.26 173.44 1lm1 s ASN 782 N -2.84 3.73 -0.24 -1.70 3.84 -1.26 -0.95 114.94 115.52 1lm1 s ASN 782 Ca 0.66 -1.02 -0.06 0.00 0.21 0.00 0.00 52.86 52.64 1lm1 s ASN 782 Cb -0.22 -1.41 -0.02 0.00 -0.55 0.00 0.00 41.25 39.05 1lm1 s ASN 782 CO 0.59 -0.13 0.04 -0.36 -2.79 0.00 0.00 177.10 174.45 1lm1 s PHE 783 N 1.26 3.06 -0.26 0.43 0.40 -1.26 -4.64 117.98 116.97 1lm1 s PHE 783 Ca -0.03 -0.51 -0.27 0.00 -0.60 0.00 0.00 56.93 55.52 1lm1 s PHE 783 Cb -0.17 -2.19 -0.30 0.00 0.51 0.00 0.00 43.02 40.88 1lm1 s PHE 783 CO -0.08 -0.36 1.69 0.41 0.70 0.00 0.00 175.22 177.58 1lm1 n GLY 784 N 4.77 1.24 0.14 4.36 0.00 -1.26 -4.50 105.19 109.94 1lm1 n GLY 784 Ca -0.17 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 1lm1 n GLY 784 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1lm1 h PHE 785 N 9.24 -0.22 0.00 1.61 0.05 -1.94 -3.29 116.94 122.39 1lm1 h PHE 785 Ca 0.31 -0.01 -0.05 0.00 3.82 0.00 0.00 57.97 62.05 1lm1 h PHE 785 Cb 0.67 0.07 -0.01 0.00 2.00 0.00 0.00 35.95 38.69 1lm1 h PHE 785 CO 1.11 0.15 -0.22 0.28 -0.18 0.00 0.00 178.31 179.45 1lm1 h VAL 786 N -0.94 0.85 -2.37 -0.55 2.07 -1.99 -3.46 116.25 109.87 1lm1 h VAL 786 Ca -0.02 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 1lm1 h VAL 786 Cb 0.47 1.51 -0.24 0.00 -1.52 0.00 0.00 31.29 31.51 1lm1 h VAL 786 CO 0.04 0.22 -0.16 0.21 0.02 0.00 0.00 177.57 177.90 1lm1 s ASN 787 N -6.50 -0.70 0.20 0.57 3.84 -1.24 -5.06 114.94 106.05 1lm1 s ASN 787 Ca -0.02 1.16 -0.32 0.00 0.21 0.00 0.00 52.86 53.88 1lm1 s ASN 787 Cb 0.13 1.04 -0.14 0.00 -0.55 0.00 0.00 41.25 41.74 1lm1 s ASN 787 CO 0.65 -0.21 1.42 0.00 -2.79 0.00 0.00 177.10 176.17 1lm1 n TYR 788 N 4.30 2.07 -3.99 0.43 9.36 -1.26 -4.48 117.16 123.59 1lm1 n TYR 788 Ca -0.22 0.43 -0.14 0.00 3.32 0.00 0.00 57.90 61.29 1lm1 n TYR 788 Cb 0.57 -2.46 -0.14 0.00 -0.63 0.00 0.00 39.34 36.68 1lm1 n TYR 788 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1lm1 s ARG 789 N -0.01 0.18 0.24 2.98 0.52 -1.26 -5.02 118.95 116.58 1lm1 s ARG 789 Ca 0.72 -0.08 -0.05 0.00 -0.52 0.00 0.00 55.73 55.80 1lm1 s ARG 789 Cb -0.70 -0.18 0.39 0.00 0.52 0.00 0.00 34.95 34.99 1lm1 s ARG 789 CO 0.47 0.05 1.78 -1.35 0.02 0.00 0.00 175.30 176.26 1lm1 h PRO 790 N 6.11 0.60 0.00 3.54 0.11 -1.97 -3.06 132.00 137.33 1lm1 h PRO 790 Ca -0.26 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1lm1 h PRO 790 Cb 1.20 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1lm1 h PRO 790 CO 0.51 0.40 -0.11 0.78 -0.21 0.00 0.00 178.00 179.36 1lm1 h GLY 791 N 0.62 0.00 0.00 -0.55 0.00 -1.97 -3.49 103.07 97.67 1lm1 h GLY 791 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1lm1 h GLY 791 CO -0.30 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.85 1lm1 n GLY 792 N -0.38 7.00 3.54 4.60 0.00 -1.16 -4.94 105.19 113.86 1lm1 n GLY 792 Ca -0.01 -1.88 -0.45 0.00 0.00 0.00 0.00 46.02 43.67 1lm1 n GLY 792 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1lm1 n GLU 793 N 0.00 1.00 -0.46 1.61 4.07 -1.26 -4.70 120.64 120.90 1lm1 n GLU 793 Ca 0.00 0.35 -0.29 0.00 -0.06 0.00 0.00 57.16 57.17 1lm1 n GLU 793 Cb 0.00 -1.63 0.24 0.00 -0.06 0.00 0.00 31.44 29.99 1lm1 n GLU 793 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 1lm1 n TYR 794 N 0.12 -2.10 -3.63 4.31 9.36 -1.26 -4.64 117.16 119.32 1lm1 n TYR 794 Ca 0.12 -0.25 -0.01 0.00 3.32 0.00 0.00 57.90 61.07 1lm1 n TYR 794 Cb 0.31 -1.54 -0.04 0.00 -0.63 0.00 0.00 39.34 37.44 1lm1 n TYR 794 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1lm1 s HIS 795 N -2.25 -1.25 0.37 2.98 3.76 -1.26 -4.51 115.29 113.13 1lm1 s HIS 795 Ca 0.62 2.19 0.12 0.00 -0.15 0.00 0.00 55.06 57.84 1lm1 s HIS 795 Cb -0.17 0.75 0.90 0.00 1.11 0.00 0.00 32.58 35.17 1lm1 s HIS 795 CO 0.60 -0.62 1.86 0.52 -0.85 0.00 0.00 174.74 176.25 1lm1 h MET 796 N 7.82 0.58 -6.76 1.40 0.00 -1.79 -3.39 114.93 112.79 1lm1 h MET 796 Ca -0.19 -0.03 -0.68 0.00 0.00 0.00 0.00 59.70 58.79 1lm1 h MET 796 Cb 1.12 -0.13 -0.24 0.00 0.00 0.00 0.00 31.60 32.34 1lm1 h MET 796 CO 0.11 0.38 -0.87 -0.80 0.00 0.00 0.00 176.91 175.73 1lm1 s ASN 797 N -5.70 3.17 0.04 1.22 0.01 -1.26 -4.99 114.94 107.43 1lm1 s ASN 797 Ca -0.09 -0.66 -0.25 0.00 -0.71 0.00 0.00 52.86 51.15 1lm1 s ASN 797 Cb 0.22 -0.25 0.06 0.00 0.41 0.00 0.00 41.25 41.69 1lm1 s ASN 797 CO 0.79 0.21 0.57 -0.94 -1.51 0.00 0.00 177.10 176.22 1lm1 s SER 798 N -1.61 -0.51 0.33 -1.22 1.04 -1.26 -4.89 113.70 105.57 1lm1 s SER 798 Ca 0.12 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.85 1lm1 s SER 798 Cb -0.10 0.52 0.55 0.00 0.10 0.00 0.00 66.02 67.09 1lm1 s SER 798 CO 0.04 -0.72 1.98 -0.65 0.98 0.00 0.00 173.24 174.87 1lm1 h PRO 799 N 2.74 0.92 0.07 4.02 0.11 -1.88 -2.09 132.00 135.88 1lm1 h PRO 799 Ca -0.30 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 1lm1 h PRO 799 Cb 1.21 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1lm1 h PRO 799 CO 0.40 0.62 -0.03 1.05 -0.21 0.00 0.00 178.00 179.83 1lm1 h GLU 800 N 0.94 -0.08 -0.97 1.05 9.09 -1.98 -1.93 114.58 120.70 1lm1 h GLU 800 Ca 0.25 0.01 0.29 0.00 0.05 0.00 0.00 59.36 59.95 1lm1 h GLU 800 Cb -0.08 0.02 -0.17 0.00 -1.65 0.00 0.00 28.75 26.87 1lm1 h GLU 800 CO -0.05 0.50 0.15 1.98 0.05 0.00 0.00 179.01 181.64 1lm1 h MET 801 N -0.83 0.04 0.00 1.06 -1.53 -1.96 -2.43 114.93 109.28 1lm1 h MET 801 Ca -0.01 -0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.11 1lm1 h MET 801 Cb 0.63 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.64 1lm1 h MET 801 CO 0.01 0.03 -0.74 0.66 0.14 0.00 0.00 176.91 177.01 1lm1 h SER 802 N 0.05 0.00 -0.24 1.39 4.64 -1.26 -2.15 113.55 115.97 1lm1 h SER 802 Ca 0.63 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.84 1lm1 h SER 802 Cb 1.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 1lm1 h SER 802 CO -0.84 0.62 -0.22 0.11 -0.87 0.00 0.00 176.83 175.63 1lm1 h LYS 803 N 0.00 0.70 0.03 4.77 1.57 -0.93 -2.40 116.57 120.31 1lm1 h LYS 803 Ca -0.03 -0.27 -0.15 0.00 -1.87 0.00 0.00 60.65 58.32 1lm1 h LYS 803 Cb 1.50 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.79 1lm1 h LYS 803 CO 0.08 0.86 -0.62 0.66 -0.57 0.00 0.00 179.45 179.85 1lm1 h SER 804 N 0.61 0.49 -0.91 0.86 4.64 -1.37 -2.40 113.55 115.48 1lm1 h SER 804 Ca 0.09 -0.81 0.24 0.00 -0.47 0.00 0.00 61.79 60.84 1lm1 h SER 804 Cb 0.70 -0.15 -0.13 0.00 -0.31 0.00 0.00 62.40 62.50 1lm1 h SER 804 CO 0.05 1.24 0.36 0.25 -0.87 0.00 0.00 176.83 177.87 1lm1 h LEU 805 N -0.20 0.23 -0.71 5.97 5.85 -1.45 -0.01 115.31 124.99 1lm1 h LEU 805 Ca -0.09 0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 1lm1 h LEU 805 Cb 1.37 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1lm1 h LEU 805 CO 0.12 -0.08 -0.23 -0.74 -0.34 0.00 0.00 178.44 177.17 1lm1 h HIS 806 N 0.31 0.85 0.00 1.25 2.76 -1.31 -2.78 115.15 116.23 1lm1 h HIS 806 Ca 0.58 -0.19 -0.13 0.00 -2.20 0.00 0.00 60.37 58.43 1lm1 h HIS 806 Cb 1.18 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.92 1lm1 h HIS 806 CO -0.17 0.91 -0.64 0.87 -1.30 0.00 0.00 177.93 177.60 1lm1 h LYS 807 N 0.65 0.00 0.17 5.26 1.57 -0.69 -2.31 116.57 121.22 1lm1 h LYS 807 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1lm1 h LYS 807 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1lm1 h LYS 807 CO 0.06 0.64 -0.13 0.00 -0.57 0.00 0.00 179.45 179.45 1lm1 h ALA 808 N 1.36 -0.93 -1.01 3.86 0.00 -0.83 -3.10 119.26 118.62 1lm1 h ALA 808 Ca -0.01 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.08 1lm1 h ALA 808 Cb 1.32 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 19.30 1lm1 h ALA 808 CO 0.08 -0.93 0.62 0.28 0.00 0.00 0.00 179.25 179.30 1lm1 h VAL 809 N -0.29 0.60 -0.88 0.00 2.07 -1.43 -1.50 116.25 114.83 1lm1 h VAL 809 Ca -0.02 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1lm1 h VAL 809 Cb 0.24 -0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 29.90 1lm1 h VAL 809 CO 0.01 0.11 0.57 0.00 0.02 0.00 0.00 177.57 178.27 1lm1 h ALA 810 N 1.67 1.18 0.43 1.67 0.00 -1.42 -3.06 119.26 119.74 1lm1 h ALA 810 Ca 0.60 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 1lm1 h ALA 810 Cb 1.17 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1lm1 h ALA 810 CO -0.39 0.39 -0.21 0.00 0.00 0.00 0.00 179.25 179.04 1lm1 h ALA 811 N 1.38 -1.12 0.00 0.00 0.00 -1.19 -3.49 119.26 114.83 1lm1 h ALA 811 Ca 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1lm1 h ALA 811 Cb 0.05 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1lm1 h ALA 811 CO -0.13 -1.08 0.00 0.98 0.00 0.00 0.00 179.25 179.02 1lm1 n TYR 812 N -3.61 0.00 0.09 0.00 9.36 -1.16 -5.16 117.16 116.69 1lm1 n TYR 812 Ca -0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.15 1lm1 n TYR 812 Cb 0.23 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.94 1lm1 n TYR 812 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1lm1 n TYR 824 N 0.00 -3.20 0.42 2.98 0.53 -1.26 -5.07 117.16 111.56 1lm1 n TYR 824 Ca 0.00 0.64 0.13 0.00 -1.02 0.00 0.00 57.90 57.65 1lm1 n TYR 824 Cb 0.00 1.86 0.49 0.00 -1.03 0.00 0.00 39.34 40.66 1lm1 n TYR 824 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 1lm1 h ASP 825 N 0.00 0.00 0.00 7.72 3.32 -1.99 -3.30 116.42 122.17 1lm1 h ASP 825 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1lm1 h ASP 825 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 1lm1 h ASP 825 CO 0.00 0.00 -0.45 0.45 -1.72 0.00 0.00 179.24 177.52 1lm1 h HIS 826 N 0.00 0.45 -0.94 4.55 3.86 -1.96 -2.72 115.15 118.39 1lm1 h HIS 826 Ca 0.00 -0.24 0.12 0.00 -1.16 0.00 0.00 60.37 59.08 1lm1 h HIS 826 Cb 0.46 -0.05 -0.07 0.00 1.06 0.00 0.00 27.41 28.81 1lm1 h HIS 826 CO 0.00 1.06 0.60 1.88 0.86 0.00 0.00 177.93 182.33 1lm1 h TYR 827 N -0.29 0.99 -0.19 2.45 -1.99 -1.86 3.90 116.97 119.98 1lm1 h TYR 827 Ca -0.06 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.75 1lm1 h TYR 827 Cb 1.18 -0.32 -0.07 0.00 2.00 0.00 0.00 36.73 39.53 1lm1 h TYR 827 CO 0.16 0.41 -0.42 1.49 -0.00 0.00 0.00 178.16 179.80 1lm1 h GLU 828 N 0.87 -0.44 0.00 4.88 4.81 -1.65 6.82 114.58 129.87 1lm1 h GLU 828 Ca 0.46 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1lm1 h GLU 828 Cb 0.53 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1lm1 h GLU 828 CO -0.22 -0.29 0.00 1.28 -0.73 0.00 0.00 179.01 179.05 1lm1 n LEU 829 N -5.43 0.00 -0.13 1.64 7.99 0.22 0.13 117.00 121.42 1lm1 n LEU 829 Ca -0.03 0.31 -0.03 0.00 -0.01 0.00 0.00 56.01 56.24 1lm1 n LEU 829 Cb 0.36 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.64 1lm1 n LEU 829 CO 0.10 0.00 0.38 0.00 -1.51 0.00 0.00 177.39 176.36 1lm1 n TYR 830 N -0.46 -0.14 -0.35 -1.77 9.36 1.23 0.27 117.16 125.31 1lm1 n TYR 830 Ca 0.00 0.39 0.24 0.00 3.32 0.00 0.00 57.90 61.85 1lm1 n TYR 830 Cb 0.00 -0.46 0.48 0.00 -0.63 0.00 0.00 39.34 38.73 1lm1 n TYR 830 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1lm1 h ARG 831 N 0.00 0.35 0.05 2.98 3.08 1.42 -0.57 114.38 121.69 1lm1 h ARG 831 Ca 0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1lm1 h ARG 831 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1lm1 h ARG 831 CO -0.29 0.23 -0.11 0.37 -1.07 0.00 0.00 179.97 179.10 1lm1 h GLN 832 N 0.37 -0.17 -0.96 0.04 5.75 1.20 -1.10 115.11 120.23 1lm1 h GLN 832 Ca 0.70 0.01 0.24 0.00 -0.15 0.00 0.00 58.65 59.46 1lm1 h GLN 832 Cb 1.65 0.04 -0.18 0.00 1.07 0.00 0.00 27.48 30.06 1lm1 h GLN 832 CO -0.51 -0.11 -0.06 0.66 -2.65 0.00 0.00 178.83 176.15 1lm1 n TYR 833 N -3.05 0.53 -0.10 3.99 4.02 -0.30 0.38 117.16 122.63 1lm1 n TYR 833 Ca -0.02 1.16 0.22 0.00 -0.01 0.00 0.00 57.90 59.25 1lm1 n TYR 833 Cb 0.09 -1.17 0.66 0.00 -0.02 0.00 0.00 39.34 38.90 1lm1 n TYR 833 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1lm1 h LEU 834 N 0.00 0.09 0.09 7.72 4.07 -1.12 -2.77 115.31 123.41 1lm1 h LEU 834 Ca 0.54 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.51 1lm1 h LEU 834 Cb 1.04 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1lm1 h LEU 834 CO -0.93 0.04 -0.05 0.11 -1.08 0.00 0.00 178.44 176.54 1lm1 h LYS 835 N 0.10 -0.12 0.00 1.13 1.57 0.83 -3.29 116.57 116.79 1lm1 h LYS 835 Ca 0.34 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1lm1 h LYS 835 Cb 1.21 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1lm1 h LYS 835 CO -0.04 0.01 0.12 -0.25 -0.57 0.00 0.00 179.45 178.72 1lm1 n ASP 836 N -4.85 0.00 -4.69 0.86 9.92 -0.83 -4.64 116.55 112.32 1lm1 n ASP 836 Ca -0.03 0.29 -0.44 0.00 -0.53 0.00 0.00 54.79 54.08 1lm1 n ASP 836 Cb 0.09 -0.29 -0.04 0.00 -0.64 0.00 0.00 41.12 40.25 1lm1 n ASP 836 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1lm1 n ARG 837 N -1.26 2.46 -1.54 -1.24 1.85 -1.06 -5.01 116.66 110.86 1lm1 n ARG 837 Ca 0.00 0.89 -0.29 0.00 -1.00 0.00 0.00 57.85 57.45 1lm1 n ARG 837 Cb 0.12 -2.71 0.17 0.00 -1.05 0.00 0.00 32.46 28.98 1lm1 n ARG 837 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1lm1 s PRO 838 N 1.67 0.59 -0.18 2.89 0.04 -1.26 -4.99 135.00 133.77 1lm1 s PRO 838 Ca 0.80 0.06 -0.33 0.00 0.04 0.00 0.00 61.00 61.57 1lm1 s PRO 838 Cb -0.59 -1.80 -0.15 0.00 0.04 0.00 0.00 34.50 32.00 1lm1 s PRO 838 CO 0.38 -2.52 1.02 0.28 0.04 0.00 0.00 177.00 176.19 1lm1 n VAL 839 N -3.95 0.00 0.07 -0.36 0.31 -1.26 -4.86 118.33 108.28 1lm1 n VAL 839 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1lm1 n VAL 839 Cb 0.59 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 1lm1 n VAL 839 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1lm1 n THR 840 N 2.04 0.11 -3.51 2.52 -1.04 -1.26 -4.68 114.28 108.46 1lm1 n THR 840 Ca 0.19 0.04 -0.23 0.00 -2.04 0.00 0.00 64.05 62.01 1lm1 n THR 840 Cb 0.01 -0.68 0.03 0.00 -1.82 0.00 0.00 70.33 67.87 1lm1 n THR 840 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1lm1 s ALA 841 N -2.00 4.57 0.19 2.41 0.00 -1.26 -2.86 121.76 122.82 1lm1 s ALA 841 Ca 0.00 -1.65 -0.01 0.00 0.00 0.00 0.00 51.96 50.30 1lm1 s ALA 841 Cb 0.00 -1.05 0.11 0.00 0.00 0.00 0.00 23.12 22.18 1lm1 s ALA 841 CO 0.00 -0.65 1.48 -0.07 0.00 0.00 0.00 175.76 176.53 1lm1 h LEU 842 N 0.48 0.49 -2.18 0.00 3.38 -2.01 -3.06 115.31 112.40 1lm1 h LEU 842 Ca -0.33 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1lm1 h LEU 842 Cb 1.30 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1lm1 h LEU 842 CO 0.50 1.00 0.20 0.08 0.09 0.00 0.00 178.44 180.31 1lm1 h ARG 843 N 0.31 0.00 0.00 1.13 0.11 -1.96 -1.09 114.38 112.88 1lm1 h ARG 843 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1lm1 h ARG 843 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1lm1 h ARG 843 CO 0.11 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.93 1lm1 n ASP 844 N -2.83 0.63 -0.00 0.08 8.00 -1.16 -1.98 116.55 119.29 1lm1 n ASP 844 Ca -0.02 0.59 0.13 0.00 0.71 0.00 0.00 54.79 56.20 1lm1 n ASP 844 Cb 0.25 -0.75 0.52 0.00 -0.02 0.00 0.00 41.12 41.12 1lm1 n ASP 844 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1lm1 n LEU 845 N -2.12 0.16 -4.54 0.64 4.77 -0.41 -4.88 117.00 110.62 1lm1 n LEU 845 Ca 0.05 0.33 -0.33 0.00 -0.03 0.00 0.00 56.01 56.03 1lm1 n LEU 845 Cb 0.34 -0.41 -0.12 0.00 -2.33 0.00 0.00 43.42 40.90 1lm1 n LEU 845 CO 0.26 0.04 -0.42 -0.76 -1.33 0.00 0.00 177.39 175.18 1lm1 s LEU 846 N -2.97 2.96 0.00 2.23 1.43 -0.84 -0.31 118.68 121.19 1lm1 s LEU 846 Ca 0.14 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1lm1 s LEU 846 Cb 0.19 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.74 1lm1 s LEU 846 CO 0.58 0.32 0.00 -0.67 0.23 0.00 0.00 176.35 176.81 1lm1 n ASP 847 N 1.98 1.40 -4.76 2.29 2.03 -0.69 -4.83 116.55 113.97 1lm1 n ASP 847 Ca -0.17 -0.82 -0.24 0.00 0.52 0.00 0.00 54.79 54.08 1lm1 n ASP 847 Cb 0.52 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 1lm1 n ASP 847 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1lm1 s PHE 848 N -1.00 3.00 -0.40 -0.67 2.99 -1.26 -2.62 117.98 118.02 1lm1 s PHE 848 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 56.93 56.89 1lm1 s PHE 848 Cb 0.00 -1.38 0.23 0.00 0.00 0.00 0.00 43.02 41.87 1lm1 s PHE 848 CO 0.00 0.54 0.49 -1.71 -0.00 0.00 0.00 175.22 174.53 1lm1 n ASN 849 N -0.77 0.00 -4.48 1.36 2.85 0.43 -4.75 115.26 109.90 1lm1 n ASN 849 Ca -0.08 -2.63 -0.46 0.00 -0.11 0.00 0.00 54.58 51.30 1lm1 n ASN 849 Cb 0.57 -0.60 -0.02 0.00 1.24 0.00 0.00 39.78 40.97 1lm1 n ASN 849 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1lm1 n ALA 850 N 1.71 -1.72 -1.34 5.20 0.00 -1.26 -4.67 120.51 118.43 1lm1 n ALA 850 Ca 0.23 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1lm1 n ALA 850 Cb 0.52 -1.78 0.21 0.00 0.00 0.00 0.00 19.45 18.40 1lm1 n ALA 850 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1lm1 n ASP 851 N 1.65 2.70 -3.72 0.00 5.75 -1.26 -5.03 116.55 116.64 1lm1 n ASP 851 Ca 0.14 -3.58 -0.08 0.00 -0.01 0.00 0.00 54.79 51.26 1lm1 n ASP 851 Cb 0.29 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.76 1lm1 n ASP 851 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1lm1 s GLN 852 N -3.13 1.57 0.58 0.11 -0.21 -1.26 -5.14 119.66 112.18 1lm1 s GLN 852 Ca 0.43 -0.80 -0.17 0.00 0.02 0.00 0.00 55.36 54.83 1lm1 s GLN 852 Cb 0.38 0.58 -0.04 0.00 1.00 0.00 0.00 33.01 34.93 1lm1 s GLN 852 CO 0.01 -0.71 1.08 -2.14 -2.12 0.00 0.00 175.29 171.41 1lm1 s PRO 853 N -3.80 3.31 0.99 2.91 0.02 -1.26 -4.75 135.00 132.42 1lm1 s PRO 853 Ca 0.08 1.34 -0.11 0.00 0.02 0.00 0.00 61.00 62.33 1lm1 s PRO 853 Cb -0.04 -2.02 0.18 0.00 0.02 0.00 0.00 34.50 32.63 1lm1 s PRO 853 CO 0.01 -0.83 1.05 0.00 -0.33 0.00 0.00 177.00 176.89 1lm1 n ALA 854 N -1.79 -1.49 -2.30 -1.55 0.00 -1.26 -4.22 120.51 107.90 1lm1 n ALA 854 Ca 0.10 -0.73 -0.16 0.00 0.00 0.00 0.00 53.44 52.65 1lm1 n ALA 854 Cb 0.52 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.76 1lm1 n ALA 854 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1lm1 s ILE 855 N -2.56 0.41 0.03 0.00 1.01 -0.33 -4.92 121.20 114.84 1lm1 s ILE 855 Ca 0.67 -2.00 -0.29 0.00 0.00 0.00 0.00 60.65 59.03 1lm1 s ILE 855 Cb -0.23 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1lm1 s ILE 855 CO 0.60 0.00 0.93 -0.55 0.00 0.00 0.00 174.94 175.93 1lm1 s SER 856 N -3.30 7.36 0.57 3.58 0.15 -1.26 -4.80 113.70 116.00 1lm1 s SER 856 Ca 0.38 1.64 0.27 0.00 0.70 0.00 0.00 55.95 58.93 1lm1 s SER 856 Cb 0.07 -2.55 1.54 0.00 -1.71 0.00 0.00 66.02 63.37 1lm1 s SER 856 CO 0.14 -0.17 2.06 -0.07 1.20 0.00 0.00 173.24 176.41 1lm1 h LEU 857 N 6.35 0.00 -0.56 3.45 3.38 -1.96 0.26 115.31 126.23 1lm1 h LEU 857 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1lm1 h LEU 857 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1lm1 h LEU 857 CO 0.74 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.94 1lm1 h GLU 858 N 0.00 0.00 0.06 1.13 5.08 -1.99 -3.03 114.58 115.83 1lm1 h GLU 858 Ca 0.13 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.21 1lm1 h GLU 858 Cb 0.62 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.90 1lm1 h GLU 858 CO -0.00 0.00 -1.11 0.93 -1.00 0.00 0.00 179.01 177.83 1lm1 h GLU 859 N 0.00 0.65 -7.06 2.33 5.08 -0.86 -3.47 114.58 111.25 1lm1 h GLU 859 Ca 0.00 -0.78 -0.55 0.00 -1.00 0.00 0.00 59.36 57.04 1lm1 h GLU 859 Cb 0.62 0.24 0.14 0.00 0.50 0.00 0.00 28.75 30.25 1lm1 h GLU 859 CO 0.00 1.34 0.58 0.08 -1.00 0.00 0.00 179.01 180.01 1lm1 s VAL 860 N -3.14 2.15 0.82 3.13 1.01 -1.15 -4.88 120.40 118.34 1lm1 s VAL 860 Ca -0.10 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 1lm1 s VAL 860 Cb 0.06 -3.05 0.09 0.00 0.00 0.00 0.00 36.38 33.48 1lm1 s VAL 860 CO 0.92 -0.01 1.16 -1.83 0.00 0.00 0.00 175.10 175.35 1lm1 s GLU 861 N -3.01 1.63 0.37 2.72 -1.05 0.08 -4.92 118.70 114.51 1lm1 s GLU 861 Ca 0.74 1.58 -0.25 0.00 -0.15 0.00 0.00 54.97 56.89 1lm1 s GLU 861 Cb -0.39 -1.79 -0.10 0.00 -0.44 0.00 0.00 34.13 31.42 1lm1 s GLU 861 CO 0.45 -2.18 1.00 -1.54 0.95 0.00 0.00 175.26 173.94 1lm1 s SER 862 N -2.51 7.02 0.08 0.83 1.04 -1.26 -4.87 113.70 114.03 1lm1 s SER 862 Ca 0.69 1.94 -0.00 0.00 0.48 0.00 0.00 55.95 59.05 1lm1 s SER 862 Cb -0.25 -2.58 0.18 0.00 0.10 0.00 0.00 66.02 63.48 1lm1 s SER 862 CO 0.53 -0.30 0.43 0.52 0.98 0.00 0.00 173.24 175.39 1lm1 n VAL 863 N 0.17 -0.12 0.15 5.02 0.31 -1.26 -0.10 118.33 122.50 1lm1 n VAL 863 Ca 0.04 0.61 0.04 0.00 -0.01 0.00 0.00 64.34 65.02 1lm1 n VAL 863 Cb 0.50 -0.88 0.44 0.00 -0.91 0.00 0.00 33.84 32.99 1lm1 n VAL 863 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1lm1 h GLU 864 N 0.00 0.18 0.08 5.55 5.08 -1.95 -2.11 114.58 121.41 1lm1 h GLU 864 Ca 0.16 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.23 1lm1 h GLU 864 Cb 0.30 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1lm1 h GLU 864 CO -0.27 0.30 -1.14 1.03 -1.00 0.00 0.00 179.01 177.94 1lm1 h SER 865 N 0.18 0.27 -0.08 1.42 0.87 -0.87 -3.26 113.55 112.08 1lm1 h SER 865 Ca 0.04 -0.29 -0.10 0.00 -1.23 0.00 0.00 61.79 60.21 1lm1 h SER 865 Cb 0.30 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1lm1 h SER 865 CO 0.02 1.21 -0.33 0.40 -0.53 0.00 0.00 176.83 177.60 1lm1 h ILE 866 N 0.05 1.41 -1.12 2.23 5.03 -1.06 -3.27 117.51 120.78 1lm1 h ILE 866 Ca -0.09 -1.70 0.32 0.00 -0.12 0.00 0.00 64.86 63.28 1lm1 h ILE 866 Cb 1.87 2.26 -0.04 0.00 -3.03 0.00 0.00 36.82 37.87 1lm1 h ILE 866 CO 0.17 0.49 0.81 0.58 -0.68 0.00 0.00 178.15 179.53 1lm1 h VAL 867 N -0.09 0.44 0.00 1.67 2.07 -1.50 0.38 116.25 119.22 1lm1 h VAL 867 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1lm1 h VAL 867 Cb 0.97 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1lm1 h VAL 867 CO 0.07 0.00 -0.16 0.11 0.02 0.00 0.00 177.57 177.61 1lm1 h LYS 868 N 0.00 0.00 0.00 1.57 1.57 -1.60 -0.60 116.57 117.51 1lm1 h LYS 868 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1lm1 h LYS 868 Cb 2.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.45 1lm1 h LYS 868 CO -0.01 0.16 0.00 0.54 -0.57 0.00 0.00 179.45 179.58 1lm1 n ARG 869 N -3.89 0.21 -3.13 3.15 1.74 0.13 -4.74 116.66 110.13 1lm1 n ARG 869 Ca -0.02 0.06 -0.30 0.00 -0.77 0.00 0.00 57.85 56.83 1lm1 n ARG 869 Cb 0.26 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.16 1lm1 n ARG 869 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1lm1 s PHE 870 N -2.75 3.46 -0.06 -1.55 2.99 -0.23 -2.18 117.98 117.66 1lm1 s PHE 870 Ca 0.19 0.87 -0.10 0.00 0.00 0.00 0.00 56.93 57.89 1lm1 s PHE 870 Cb 0.16 -2.29 0.02 0.00 0.00 0.00 0.00 43.02 40.91 1lm1 s PHE 870 CO 0.40 0.06 0.26 0.00 -0.00 0.00 0.00 175.22 175.94 1lm1 n THR 872 N 2.24 0.06 -0.06 0.00 5.66 -0.85 -0.50 114.28 120.82 1lm1 n THR 872 Ca -0.17 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 1lm1 n THR 872 Cb 0.57 0.46 0.00 0.00 -1.55 0.00 0.00 70.33 69.81 1lm1 n THR 872 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1lm1 n GLY 873 N 1.39 -0.82 3.42 1.09 0.00 -1.26 -3.88 105.19 105.14 1lm1 n GLY 873 Ca 0.01 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1lm1 n GLY 873 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm1 n GLY 874 N 1.37 2.99 3.69 -0.02 0.00 -1.26 -4.32 105.19 107.64 1lm1 n GLY 874 Ca 0.00 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1lm1 n GLY 874 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1lm1 s MET 875 N 3.75 4.38 0.35 1.61 -1.94 -1.25 -3.20 119.30 123.00 1lm1 s MET 875 Ca 0.52 0.97 -0.29 0.00 -1.71 0.00 0.00 55.69 55.18 1lm1 s MET 875 Cb 0.05 -3.50 -0.11 0.00 2.01 0.00 0.00 34.83 33.27 1lm1 s MET 875 CO 0.05 -0.12 1.52 -1.54 -0.01 0.00 0.00 175.02 174.92 1lm1 s SER 876 N 0.98 6.34 0.11 3.03 1.04 -1.26 -3.92 113.70 120.02 1lm1 s SER 876 Ca 0.39 3.03 -0.22 0.00 0.48 0.00 0.00 55.95 59.62 1lm1 s SER 876 Cb -0.17 -2.66 -0.08 0.00 0.10 0.00 0.00 66.02 63.20 1lm1 s SER 876 CO 0.17 -0.89 1.71 0.25 0.98 0.00 0.00 173.24 175.45 1lm1 h LEU 877 N 3.55 -0.21 -0.84 2.42 5.85 -1.82 -0.94 115.31 123.30 1lm1 h LEU 877 Ca -0.50 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.36 1lm1 h LEU 877 Cb 1.23 0.10 -0.12 0.00 0.37 0.00 0.00 40.66 42.25 1lm1 h LEU 877 CO 0.69 -0.10 -0.43 0.61 -0.34 0.00 0.00 178.44 178.87 1lm1 n GLY 878 N -1.20 -2.00 0.17 3.75 0.00 -1.26 -3.18 105.19 101.47 1lm1 n GLY 878 Ca -0.05 0.98 -0.14 0.00 0.00 0.00 0.00 46.02 46.81 1lm1 n GLY 878 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 h ALA 879 N 0.75 -0.34 -2.30 4.61 0.00 -1.55 -3.43 119.26 116.99 1lm1 h ALA 879 Ca 0.20 -0.10 -0.49 0.00 0.00 0.00 0.00 54.91 54.52 1lm1 h ALA 879 Cb 0.42 0.13 0.03 0.00 0.00 0.00 0.00 17.79 18.37 1lm1 h ALA 879 CO -0.81 -0.66 0.23 -0.51 0.00 0.00 0.00 179.25 177.49 1lm1 s LEU 880 N -10.03 3.59 0.86 0.00 1.43 -0.66 -4.20 118.68 109.67 1lm1 s LEU 880 Ca -0.15 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.05 1lm1 s LEU 880 Cb 0.05 -4.16 0.11 0.00 0.03 0.00 0.00 46.19 42.21 1lm1 s LEU 880 CO 0.64 -0.60 1.10 -0.94 0.23 0.00 0.00 176.35 176.78 1lm1 s SER 881 N -3.68 3.73 0.39 2.29 1.04 0.78 -4.73 113.70 113.52 1lm1 s SER 881 Ca 0.52 1.77 0.19 0.00 0.48 0.00 0.00 55.95 58.92 1lm1 s SER 881 Cb -0.10 -2.41 0.77 0.00 0.10 0.00 0.00 66.02 64.37 1lm1 s SER 881 CO 0.41 -2.52 1.78 0.08 0.98 0.00 0.00 173.24 173.96 1lm1 h ARG 882 N -1.47 0.00 -0.49 4.02 0.11 -1.84 -1.75 114.38 112.96 1lm1 h ARG 882 Ca -0.46 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.64 1lm1 h ARG 882 Cb 1.26 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.31 1lm1 h ARG 882 CO 0.50 0.34 0.30 0.93 0.10 0.00 0.00 179.97 182.15 1lm1 h GLU 883 N 0.00 0.59 -0.35 0.08 3.07 -1.91 0.27 114.58 116.33 1lm1 h GLU 883 Ca -0.00 -0.04 -0.16 0.00 -0.50 0.00 0.00 59.36 58.66 1lm1 h GLU 883 Cb 0.82 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 1lm1 h GLU 883 CO 0.04 0.39 -0.40 0.00 -1.40 0.00 0.00 179.01 177.65 1lm1 h ALA 884 N 1.20 0.62 -0.00 3.43 0.00 -1.70 -2.59 119.26 120.22 1lm1 h ALA 884 Ca 0.19 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1lm1 h ALA 884 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1lm1 h ALA 884 CO -0.07 0.67 -0.00 1.25 0.00 0.00 0.00 179.25 181.10 1lm1 h HIS 885 N 0.71 0.00 -0.77 0.00 6.17 -1.13 -2.67 115.15 117.45 1lm1 h HIS 885 Ca 0.05 -0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.11 1lm1 h HIS 885 Cb 0.98 -0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.87 1lm1 h HIS 885 CO 0.06 0.78 0.37 0.93 0.71 0.00 0.00 177.93 180.78 1lm1 h GLU 886 N -0.78 1.09 0.37 5.26 5.08 -0.57 -2.45 114.58 122.58 1lm1 h GLU 886 Ca -0.00 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1lm1 h GLU 886 Cb 0.78 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1lm1 h GLU 886 CO 0.00 0.84 -0.32 1.15 -1.00 0.00 0.00 179.01 179.69 1lm1 h THR 887 N 1.09 0.00 -1.19 1.13 2.02 -1.47 -0.90 112.91 113.58 1lm1 h THR 887 Ca 0.26 0.00 0.41 0.00 0.77 0.00 0.00 66.41 67.86 1lm1 h THR 887 Cb 0.11 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.37 1lm1 h THR 887 CO -0.03 0.00 0.73 -0.07 0.37 0.00 0.00 175.52 176.52 1lm1 h LEU 888 N -0.67 0.31 -0.30 2.58 3.38 -1.26 0.81 115.31 120.17 1lm1 h LEU 888 Ca -0.05 0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 1lm1 h LEU 888 Cb 0.57 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1lm1 h LEU 888 CO -0.01 -0.23 -0.74 0.00 0.09 0.00 0.00 178.44 177.54 1lm1 h ALA 889 N 1.73 0.47 -0.43 1.53 0.00 -0.81 0.35 119.26 122.10 1lm1 h ALA 889 Ca 0.81 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1lm1 h ALA 889 Cb 2.35 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 20.08 1lm1 h ALA 889 CO -0.53 0.72 -0.15 0.82 0.00 0.00 0.00 179.25 180.11 1lm1 h ILE 890 N 0.40 1.26 -0.01 0.00 2.04 0.44 -1.66 117.51 119.99 1lm1 h ILE 890 Ca -0.04 -1.25 -0.27 0.00 1.00 0.00 0.00 64.86 64.31 1lm1 h ILE 890 Cb 1.34 1.10 0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1lm1 h ILE 890 CO 0.14 0.43 -1.03 0.00 0.00 0.00 0.00 178.15 177.69 1lm1 h ALA 891 N 1.10 0.14 -0.65 1.87 0.00 -1.17 -2.10 119.26 118.44 1lm1 h ALA 891 Ca 0.11 -0.69 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 1lm1 h ALA 891 Cb 0.66 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1lm1 h ALA 891 CO 0.05 0.69 0.07 0.52 0.00 0.00 0.00 179.25 180.57 1lm1 h MET 892 N 0.41 1.11 -0.42 0.00 2.86 -0.81 -2.58 114.93 115.50 1lm1 h MET 892 Ca -0.13 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.16 1lm1 h MET 892 Cb 1.68 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 33.20 1lm1 h MET 892 CO 0.20 1.03 0.09 -0.91 1.06 0.00 0.00 176.91 178.38 1lm1 h ASN 893 N 1.03 0.57 -0.22 1.22 2.35 -1.17 -1.32 115.58 118.04 1lm1 h ASN 893 Ca 0.19 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1lm1 h ASN 893 Cb 0.49 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1lm1 h ASN 893 CO 0.02 0.59 0.13 0.03 -1.65 0.00 0.00 177.43 176.55 1lm1 h ARG 894 N 0.61 0.30 0.00 0.81 3.08 -0.99 -2.28 114.38 115.91 1lm1 h ARG 894 Ca 0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1lm1 h ARG 894 Cb 0.25 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1lm1 h ARG 894 CO -0.00 0.25 0.00 1.28 -1.07 0.00 0.00 179.97 180.43 1lm1 n LEU 895 N -4.90 0.00 -1.30 3.04 4.77 -0.99 -4.82 117.00 112.80 1lm1 n LEU 895 Ca -0.03 0.49 -0.11 0.00 -0.03 0.00 0.00 56.01 56.34 1lm1 n LEU 895 Cb 0.05 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1lm1 n LEU 895 CO 0.34 -0.30 -0.10 0.61 -1.33 0.00 0.00 177.39 176.61 1lm1 n GLY 896 N -0.34 -0.02 0.00 -0.72 0.00 -0.86 -4.58 105.19 98.67 1lm1 n GLY 896 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1lm1 n GLY 896 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 n ALA 897 N -1.82 0.00 -2.98 4.61 0.00 -0.53 -4.52 120.51 115.27 1lm1 n ALA 897 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 1lm1 n ALA 897 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 1lm1 n ALA 897 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1lm1 s LYS 898 N 2.89 0.74 0.34 0.00 -2.85 -1.19 -4.50 119.74 115.17 1lm1 s LYS 898 Ca 0.00 -0.52 0.03 0.00 -1.00 0.00 0.00 55.97 54.49 1lm1 s LYS 898 Cb 0.00 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 36.04 1lm1 s LYS 898 CO 0.00 -0.23 0.08 -1.54 0.10 0.00 0.00 175.35 173.76 1lm1 s SER 899 N -1.98 2.33 -0.10 0.03 1.04 -1.26 -2.01 113.70 111.75 1lm1 s SER 899 Ca -0.06 -1.45 -0.08 0.00 0.48 0.00 0.00 55.95 54.84 1lm1 s SER 899 Cb -0.02 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.24 1lm1 s SER 899 CO -0.03 -0.71 0.25 0.21 0.98 0.00 0.00 173.24 173.94 1lm1 s ASN 900 N -3.50 -0.26 -0.09 7.02 3.84 -1.26 -2.01 114.94 118.68 1lm1 s ASN 900 Ca 0.33 0.50 0.03 0.00 0.21 0.00 0.00 52.86 53.94 1lm1 s ASN 900 Cb 0.07 0.47 0.23 0.00 -0.55 0.00 0.00 41.25 41.47 1lm1 s ASN 900 CO 0.15 -0.11 1.02 -1.54 -2.79 0.00 0.00 177.10 173.83 1lm1 n SER 901 N 3.34 2.72 0.00 -4.21 3.41 -0.83 -3.83 113.62 114.22 1lm1 n SER 901 Ca -0.17 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1lm1 n SER 901 Cb 0.57 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1lm1 n SER 901 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lm1 n GLY 902 N 0.12 0.00 2.08 5.00 0.00 -1.19 -3.78 105.19 107.42 1lm1 n GLY 902 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1lm1 n GLY 902 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lm1 n GLU 903 N 0.00 2.87 -0.27 1.61 1.02 -1.26 -4.09 120.64 120.51 1lm1 n GLU 903 Ca 0.00 -3.55 0.05 0.00 -0.02 0.00 0.00 57.16 53.64 1lm1 n GLU 903 Cb 0.00 -2.22 0.07 0.00 -0.02 0.00 0.00 31.44 29.27 1lm1 n GLU 903 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lm1 n GLY 904 N -0.89 2.82 0.35 0.62 0.00 -1.25 -4.39 105.19 102.45 1lm1 n GLY 904 Ca 0.53 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.99 1lm1 n GLY 904 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm1 n GLY 905 N -0.76 -1.97 3.06 -0.02 0.00 -1.26 -4.53 105.19 99.70 1lm1 n GLY 905 Ca 0.08 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 1lm1 n GLY 905 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lm1 s GLU 906 N -2.10 1.62 -0.13 1.61 2.12 -1.26 -4.64 118.70 115.91 1lm1 s GLU 906 Ca 0.00 -0.47 -0.34 0.00 0.36 0.00 0.00 54.97 54.52 1lm1 s GLU 906 Cb 0.00 -1.38 -0.11 0.00 0.26 0.00 0.00 34.13 32.90 1lm1 s GLU 906 CO 0.00 0.12 1.93 -3.47 -0.54 0.00 0.00 175.26 173.30 1lm1 n ASP 907 N 3.49 3.29 -0.25 -1.70 4.64 -1.26 -4.88 116.55 119.87 1lm1 n ASP 907 Ca -0.20 0.87 0.14 0.00 -1.38 0.00 0.00 54.79 54.22 1lm1 n ASP 907 Cb 0.53 -1.37 0.27 0.00 -1.04 0.00 0.00 41.12 39.51 1lm1 n ASP 907 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 1lm1 n VAL 908 N 5.51 -0.31 0.32 5.18 0.31 -1.26 -1.46 118.33 126.61 1lm1 n VAL 908 Ca 0.25 1.60 0.18 0.00 -0.01 0.00 0.00 64.34 66.36 1lm1 n VAL 908 Cb 0.29 -2.40 0.94 0.00 -0.91 0.00 0.00 33.84 31.76 1lm1 n VAL 908 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1lm1 h VAL 909 N 0.00 0.05 0.00 2.52 2.07 -1.99 0.31 116.25 119.21 1lm1 h VAL 909 Ca 0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.01 1lm1 h VAL 909 Cb 1.09 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1lm1 h VAL 909 CO -0.67 0.00 0.00 0.54 0.02 0.00 0.00 177.57 177.46 1lm1 n ARG 910 N -3.05 0.24 0.00 1.57 1.74 -0.54 -3.45 116.66 113.18 1lm1 n ARG 910 Ca -0.02 0.26 0.08 0.00 -0.77 0.00 0.00 57.85 57.40 1lm1 n ARG 910 Cb 0.30 -1.81 0.34 0.00 -1.02 0.00 0.00 32.46 30.26 1lm1 n ARG 910 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1lm1 n TYR 911 N -2.24 0.01 -4.08 -1.55 0.53 0.11 -2.82 117.16 107.13 1lm1 n TYR 911 Ca 0.05 0.01 -0.35 0.00 -1.02 0.00 0.00 57.90 56.58 1lm1 n TYR 911 Cb 0.38 -0.51 -0.09 0.00 -1.03 0.00 0.00 39.34 38.09 1lm1 n TYR 911 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1lm1 s LEU 912 N -3.02 3.82 0.76 7.72 1.43 -1.22 -4.93 118.68 123.23 1lm1 s LEU 912 Ca 0.07 0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.17 1lm1 s LEU 912 Cb 0.10 -1.94 0.05 0.00 0.03 0.00 0.00 46.19 44.43 1lm1 s LEU 912 CO 0.29 0.25 1.20 -0.89 0.23 0.00 0.00 176.35 177.42 1lm1 s THR 913 N -0.07 2.30 -0.14 5.49 2.01 -1.26 -4.69 115.64 119.28 1lm1 s THR 913 Ca 0.06 0.14 -0.14 0.00 0.31 0.00 0.00 61.69 62.06 1lm1 s THR 913 Cb -0.12 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 1lm1 s THR 913 CO 0.01 -0.09 0.31 -0.76 -0.69 0.00 0.00 174.62 173.41 1lm1 s LEU 914 N -5.38 4.27 -0.19 4.42 1.43 -0.86 -4.97 118.68 117.40 1lm1 s LEU 914 Ca 0.73 0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 54.30 1lm1 s LEU 914 Cb -0.28 -2.41 -0.21 0.00 0.03 0.00 0.00 46.19 43.32 1lm1 s LEU 914 CO 0.47 0.12 0.14 0.47 0.23 0.00 0.00 176.35 177.78 1lm1 n ASP 915 N 3.38 2.01 0.00 2.29 8.00 -1.26 -4.57 116.55 126.39 1lm1 n ASP 915 Ca -0.12 0.23 0.05 0.00 0.71 0.00 0.00 54.79 55.66 1lm1 n ASP 915 Cb 0.52 -0.81 0.27 0.00 -0.02 0.00 0.00 41.12 41.07 1lm1 n ASP 915 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1lm1 n ASP 916 N -3.81 0.00 -4.64 -2.24 5.75 -1.26 -4.83 116.55 105.52 1lm1 n ASP 916 Ca -0.37 0.10 -0.42 0.00 -0.01 0.00 0.00 54.79 54.09 1lm1 n ASP 916 Cb 0.92 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 1lm1 n ASP 916 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1lm1 n VAL 917 N -1.27 2.26 -4.70 2.12 0.31 -1.26 -4.65 118.33 111.15 1lm1 n VAL 917 Ca 0.05 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.58 1lm1 n VAL 917 Cb 0.08 -1.29 -0.06 0.00 -0.91 0.00 0.00 33.84 31.65 1lm1 n VAL 917 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1lm1 n ASP 918 N 0.66 3.30 -0.21 4.52 5.68 -0.49 -4.89 116.55 125.12 1lm1 n ASP 918 Ca 0.08 -3.06 0.01 0.00 -0.50 0.00 0.00 54.79 51.32 1lm1 n ASP 918 Cb 0.37 0.33 0.12 0.00 -1.14 0.00 0.00 41.12 40.80 1lm1 n ASP 918 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1lm1 h SER 919 N 1.12 0.21 -0.51 -1.12 4.64 -1.94 0.41 113.55 116.38 1lm1 h SER 919 Ca -0.39 0.09 0.09 0.00 -0.47 0.00 0.00 61.79 61.10 1lm1 h SER 919 Cb 1.18 0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 1lm1 h SER 919 CO 0.65 0.12 0.34 -0.33 -0.87 0.00 0.00 176.83 176.74 1lm1 h GLU 920 N 0.40 0.31 0.00 4.77 4.39 -1.98 -3.46 114.58 119.01 1lm1 h GLU 920 Ca 0.33 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1lm1 h GLU 920 Cb 0.44 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1lm1 h GLU 920 CO -0.34 0.20 0.00 0.41 -1.16 0.00 0.00 179.01 178.13 1lm1 n GLY 921 N -1.54 1.67 3.61 -3.84 0.00 0.13 -4.73 105.19 100.49 1lm1 n GLY 921 Ca 0.08 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1lm1 n GLY 921 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lm1 s ASN 922 N -2.04 4.10 -0.07 1.61 0.01 -1.26 -1.34 114.94 115.95 1lm1 s ASN 922 Ca 0.00 -1.00 -0.03 0.00 -0.71 0.00 0.00 52.86 51.12 1lm1 s ASN 922 Cb 0.00 -0.51 0.04 0.00 0.41 0.00 0.00 41.25 41.19 1lm1 s ASN 922 CO 0.00 -0.20 0.14 -0.55 -1.51 0.00 0.00 177.10 174.98 1lm1 s SER 923 N -3.69 0.31 0.57 -1.22 0.15 -1.26 -1.39 113.70 107.17 1lm1 s SER 923 Ca 0.34 0.29 0.29 0.00 0.70 0.00 0.00 55.95 57.56 1lm1 s SER 923 Cb -0.00 0.19 1.47 0.00 -1.71 0.00 0.00 66.02 65.97 1lm1 s SER 923 CO 0.19 -0.19 1.92 -0.65 1.20 0.00 0.00 173.24 175.71 1lm1 h PRO 924 N 7.76 0.00 -0.07 5.44 0.11 -1.96 -1.19 132.00 142.10 1lm1 h PRO 924 Ca -0.30 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.66 1lm1 h PRO 924 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1lm1 h PRO 924 CO 0.30 0.00 -0.63 1.15 -0.21 0.00 0.00 178.00 178.61 1lm1 h THR 925 N 0.00 1.39 -2.47 -1.15 2.02 -1.95 -3.35 112.91 107.40 1lm1 h THR 925 Ca 0.26 -2.03 -0.59 0.00 0.77 0.00 0.00 66.41 64.82 1lm1 h THR 925 Cb 1.23 2.03 -0.39 0.00 -1.74 0.00 0.00 68.15 69.29 1lm1 h THR 925 CO -0.00 0.60 -0.92 -0.76 0.37 0.00 0.00 175.52 174.81 1lm1 s LEU 926 N -7.90 1.88 0.27 2.58 1.43 -0.50 -5.01 118.68 111.43 1lm1 s LEU 926 Ca -0.04 -3.16 0.22 0.00 -1.03 0.00 0.00 54.13 50.12 1lm1 s LEU 926 Cb 0.12 -0.61 1.02 0.00 0.03 0.00 0.00 46.19 46.75 1lm1 s LEU 926 CO 0.80 -0.16 1.68 -2.65 0.23 0.00 0.00 176.35 176.25 1lm1 n PRO 927 N 2.74 0.17 0.02 1.29 -0.02 -0.88 -2.43 135.00 135.89 1lm1 n PRO 927 Ca 0.28 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.36 1lm1 n PRO 927 Cb 0.46 -1.89 0.06 0.00 -0.02 0.00 0.00 33.50 32.12 1lm1 n PRO 927 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1lm1 n HIS 928 N -2.22 0.18 -2.36 6.00 1.44 -1.26 -4.88 115.22 112.13 1lm1 n HIS 928 Ca 0.01 0.05 -0.25 0.00 -2.01 0.00 0.00 57.72 55.52 1lm1 n HIS 928 Cb 0.16 -0.34 0.08 0.00 0.12 0.00 0.00 29.99 30.02 1lm1 n HIS 928 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1lm1 s LEU 929 N -3.59 2.94 -0.02 2.39 1.43 -1.02 -4.96 118.68 115.86 1lm1 s LEU 929 Ca 0.06 0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.24 1lm1 s LEU 929 Cb 0.15 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1lm1 s LEU 929 CO 0.78 -1.69 0.11 -1.00 0.23 0.00 0.00 176.35 174.78 1lm1 s HIS 930 N -3.19 -0.01 -0.47 0.29 3.76 -1.26 -4.79 115.29 109.62 1lm1 s HIS 930 Ca 0.63 0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 55.55 1lm1 s HIS 930 Cb -0.09 -0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.58 1lm1 s HIS 930 CO 0.44 -0.17 0.40 0.41 -0.85 0.00 0.00 174.74 174.97 1lm1 n GLY 931 N 2.19 0.22 3.61 -2.22 0.00 -0.45 -4.38 105.19 104.16 1lm1 n GLY 931 Ca -0.18 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1lm1 n GLY 931 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lm1 s LEU 932 N -3.56 3.97 0.78 0.99 1.43 -1.12 -4.53 118.68 116.65 1lm1 s LEU 932 Ca 0.07 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1lm1 s LEU 932 Cb -0.03 -2.08 0.06 0.00 0.03 0.00 0.00 46.19 44.17 1lm1 s LEU 932 CO 0.28 0.03 1.09 -1.10 0.23 0.00 0.00 176.35 176.87 1lm1 s GLN 933 N 1.29 2.21 0.46 1.70 -0.21 -1.26 -4.70 119.66 119.15 1lm1 s GLN 933 Ca 0.07 0.69 0.24 0.00 0.02 0.00 0.00 55.36 56.38 1lm1 s GLN 933 Cb -0.14 -1.93 1.12 0.00 1.00 0.00 0.00 33.01 33.06 1lm1 s GLN 933 CO 0.06 -1.55 1.93 -0.97 -2.12 0.00 0.00 175.29 172.64 1lm1 h ASN 934 N -1.04 0.00 0.00 5.90 -0.73 -1.90 -2.71 115.58 115.10 1lm1 h ASN 934 Ca -0.46 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.71 1lm1 h ASN 934 Cb 1.26 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.85 1lm1 h ASN 934 CO 0.59 0.21 0.00 0.61 -0.37 0.00 0.00 177.43 178.47 1lm1 n GLY 935 N -0.28 -0.70 3.80 1.57 0.00 -1.26 -4.46 105.19 103.86 1lm1 n GLY 935 Ca -0.01 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1lm1 n GLY 935 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lm1 s ASP 936 N -1.88 5.37 -0.11 1.61 1.01 -1.03 -4.82 116.67 116.83 1lm1 s ASP 936 Ca 0.28 1.74 -0.06 0.00 0.71 0.00 0.00 52.55 55.22 1lm1 s ASP 936 Cb 0.13 -2.52 0.04 0.00 1.01 0.00 0.00 42.92 41.58 1lm1 s ASP 936 CO 0.21 -1.45 0.25 0.28 0.21 0.00 0.00 175.17 174.68 1lm1 s THR 937 N -2.78 -0.03 -2.13 -1.27 -1.32 -1.26 -2.03 115.64 104.82 1lm1 s THR 937 Ca 0.61 0.13 0.22 0.00 -1.21 0.00 0.00 61.69 61.43 1lm1 s THR 937 Cb -0.16 -0.39 0.55 0.00 -1.51 0.00 0.00 72.50 71.00 1lm1 s THR 937 CO 0.48 0.05 1.48 0.00 -2.21 0.00 0.00 174.62 174.42 1lm1 n ALA 938 N 4.05 2.40 -2.45 11.08 0.00 -1.26 -3.71 120.51 130.63 1lm1 n ALA 938 Ca -0.24 -1.12 -0.42 0.00 0.00 0.00 0.00 53.44 51.66 1lm1 n ALA 938 Cb 0.54 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1lm1 n ALA 938 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1lm1 s ASN 939 N -1.14 7.06 0.17 0.00 2.47 -1.13 -4.72 114.94 117.64 1lm1 s ASN 939 Ca 0.44 1.87 -0.32 0.00 0.42 0.00 0.00 52.86 55.27 1lm1 s ASN 939 Cb 0.23 -2.56 -0.11 0.00 -1.45 0.00 0.00 41.25 37.36 1lm1 s ASN 939 CO 0.31 -0.55 1.67 -0.44 -3.72 0.00 0.00 177.10 174.37 1lm1 s SER 940 N 1.39 6.49 0.15 -4.21 0.01 -1.26 -4.91 113.70 111.36 1lm1 s SER 940 Ca 0.57 2.72 -0.10 0.00 1.31 0.00 0.00 55.95 60.45 1lm1 s SER 940 Cb -0.26 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.37 1lm1 s SER 940 CO 0.24 -0.91 1.49 0.00 0.41 0.00 0.00 173.24 174.47 1lm1 h ALA 941 N 7.21 0.61 -3.21 1.44 0.00 -1.87 -3.42 119.26 120.03 1lm1 h ALA 941 Ca -0.43 -0.46 -0.60 0.00 0.00 0.00 0.00 54.91 53.42 1lm1 h ALA 941 Cb 1.20 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 1lm1 h ALA 941 CO 0.94 0.68 -0.44 0.42 0.00 0.00 0.00 179.25 180.84 1lm1 s ILE 942 N -4.36 5.38 -0.13 0.00 1.01 -0.85 -0.13 121.20 122.11 1lm1 s ILE 942 Ca -0.10 0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.84 1lm1 s ILE 942 Cb 0.11 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 1lm1 s ILE 942 CO 0.88 0.42 -0.10 -0.54 0.00 0.00 0.00 174.94 175.59 1lm1 s LYS 943 N 0.43 3.42 0.15 2.79 -0.14 -0.41 -1.97 119.74 124.02 1lm1 s LYS 943 Ca 0.11 -0.63 -0.12 0.00 -1.36 0.00 0.00 55.97 53.97 1lm1 s LYS 943 Cb -0.12 -2.71 -0.07 0.00 -1.68 0.00 0.00 37.83 33.26 1lm1 s LYS 943 CO 0.00 0.26 0.51 -1.14 -0.76 0.00 0.00 175.35 174.22 1lm1 s GLN 944 N 0.26 3.87 -0.24 1.68 0.74 -1.26 -1.45 119.66 123.26 1lm1 s GLN 944 Ca -0.07 0.34 0.02 0.00 0.05 0.00 0.00 55.36 55.70 1lm1 s GLN 944 Cb -0.15 -2.88 0.05 0.00 1.10 0.00 0.00 33.01 31.14 1lm1 s GLN 944 CO 0.04 0.46 -0.12 0.42 -0.55 0.00 0.00 175.29 175.55 1lm1 s ILE 945 N -1.54 2.05 0.44 -2.34 1.09 0.52 -4.85 121.20 116.57 1lm1 s ILE 945 Ca 0.39 -1.44 0.03 0.00 -1.10 0.00 0.00 60.65 58.53 1lm1 s ILE 945 Cb -0.14 -2.12 -0.03 0.00 -1.06 0.00 0.00 42.46 39.11 1lm1 s ILE 945 CO 0.20 0.07 0.05 0.00 -0.10 0.00 0.00 174.94 175.15 1lm1 s ALA 946 N 1.18 3.42 0.61 9.38 0.00 -1.26 -1.16 121.76 133.93 1lm1 s ALA 946 Ca -0.06 -1.13 0.30 0.00 0.00 0.00 0.00 51.96 51.08 1lm1 s ALA 946 Cb -0.18 0.33 1.67 0.00 0.00 0.00 0.00 23.12 24.94 1lm1 s ALA 946 CO -0.07 -0.16 2.05 0.66 0.00 0.00 0.00 175.76 178.24 1lm1 h SER 947 N 1.63 0.00 0.00 0.00 4.64 -1.84 -0.23 113.55 117.75 1lm1 h SER 947 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1lm1 h SER 947 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1lm1 h SER 947 CO 0.70 0.00 -0.89 0.61 -0.87 0.00 0.00 176.83 176.37 1lm1 n GLY 948 N -1.37 -0.59 2.97 -0.77 0.00 -1.26 -4.67 105.19 99.49 1lm1 n GLY 948 Ca 0.02 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1lm1 n GLY 948 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lm1 n ARG 949 N -1.47 -4.07 -0.02 1.61 5.12 -0.10 -4.85 116.66 112.89 1lm1 n ARG 949 Ca 0.02 0.83 -0.13 0.00 -1.93 0.00 0.00 57.85 56.65 1lm1 n ARG 949 Cb 0.28 -5.63 -0.07 0.00 -1.16 0.00 0.00 32.46 25.89 1lm1 n ARG 949 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1lm1 h PHE 950 N -1.06 -1.30 -0.86 -1.55 -1.00 -1.84 -2.11 116.94 107.22 1lm1 h PHE 950 Ca -0.49 0.05 -0.37 0.00 2.81 0.00 0.00 57.97 59.97 1lm1 h PHE 950 Cb 1.34 0.59 -0.22 0.00 3.61 0.00 0.00 35.95 41.27 1lm1 h PHE 950 CO 0.57 -0.49 0.47 0.41 -1.61 0.00 0.00 178.31 177.67 1lm1 n GLY 951 N -1.43 4.04 3.48 -1.45 0.00 -1.26 -4.59 105.19 103.98 1lm1 n GLY 951 Ca -0.04 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 1lm1 n GLY 951 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lm1 s VAL 952 N -3.08 4.70 -0.05 1.61 1.01 -0.80 -4.74 120.40 119.06 1lm1 s VAL 952 Ca 0.55 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 1lm1 s VAL 952 Cb 0.45 -4.37 0.02 0.00 0.00 0.00 0.00 36.38 32.48 1lm1 s VAL 952 CO 0.12 -0.88 0.20 -0.89 0.00 0.00 0.00 175.10 173.64 1lm1 s THR 953 N 3.10 0.02 0.21 3.92 2.01 -1.26 -4.85 115.64 118.79 1lm1 s THR 953 Ca 0.21 -0.20 -0.16 0.00 0.31 0.00 0.00 61.69 61.85 1lm1 s THR 953 Cb -0.16 -0.35 0.20 0.00 0.01 0.00 0.00 72.50 72.20 1lm1 s THR 953 CO 0.15 -0.11 1.60 -0.65 -0.69 0.00 0.00 174.62 174.93 1lm1 h PRO 954 N 5.31 -0.07 -0.28 4.92 0.11 -1.87 -0.50 132.00 139.61 1lm1 h PRO 954 Ca -0.27 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1lm1 h PRO 954 Cb 1.19 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1lm1 h PRO 954 CO 0.39 -0.05 0.07 1.05 -0.21 0.00 0.00 178.00 179.25 1lm1 h GLU 955 N -0.07 0.44 -0.81 1.05 4.11 -1.92 -1.43 114.58 115.95 1lm1 h GLU 955 Ca 0.29 -0.10 0.08 0.00 0.07 0.00 0.00 59.36 59.69 1lm1 h GLU 955 Cb 0.52 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.61 1lm1 h GLU 955 CO -0.69 0.53 -0.46 0.98 0.07 0.00 0.00 179.01 179.44 1lm1 n TYR 956 N -4.69 -0.31 0.23 2.06 9.36 -0.63 0.51 117.16 123.69 1lm1 n TYR 956 Ca -0.03 1.01 0.07 0.00 3.32 0.00 0.00 57.90 62.27 1lm1 n TYR 956 Cb 0.18 -0.60 0.54 0.00 -0.63 0.00 0.00 39.34 38.83 1lm1 n TYR 956 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1lm1 h LEU 957 N 0.00 0.00 0.00 2.98 3.38 -0.32 -1.92 115.31 119.43 1lm1 h LEU 957 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1lm1 h LEU 957 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1lm1 h LEU 957 CO -0.77 0.18 -0.55 0.24 0.09 0.00 0.00 178.44 177.63 1lm1 h MET 958 N 0.00 0.00 0.00 1.13 2.86 0.36 -3.25 114.93 116.02 1lm1 h MET 958 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1lm1 h MET 958 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1lm1 h MET 958 CO 0.02 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.86 1lm1 n SER 959 N -2.59 0.23 -4.78 1.22 3.41 0.18 -4.85 113.62 106.45 1lm1 n SER 959 Ca 0.02 0.53 -0.34 0.00 -0.26 0.00 0.00 58.87 58.83 1lm1 n SER 959 Cb 0.50 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.79 1lm1 n SER 959 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1lm1 s GLY 960 N -3.17 2.01 0.36 5.00 0.00 -1.23 -4.87 107.32 105.42 1lm1 s GLY 960 Ca 0.11 -0.84 0.20 0.00 0.00 0.00 0.00 44.72 44.18 1lm1 s GLY 960 CO 0.46 -0.69 1.61 0.50 0.00 0.00 0.00 173.10 174.99 1lm1 h LYS 961 N 4.31 0.00 -4.24 2.90 1.57 -0.78 -3.46 116.57 116.87 1lm1 h LYS 961 Ca -0.50 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.15 1lm1 h LYS 961 Cb 1.19 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.35 1lm1 h LYS 961 CO 0.61 0.32 -0.65 -0.65 -0.57 0.00 0.00 179.45 178.51 1lm1 s GLN 962 N -3.25 0.68 -0.03 3.15 -0.21 -0.91 -3.04 119.66 116.05 1lm1 s GLN 962 Ca 0.03 -1.24 0.03 0.00 0.02 0.00 0.00 55.36 54.20 1lm1 s GLN 962 Cb 0.08 0.22 -0.00 0.00 1.00 0.00 0.00 33.01 34.32 1lm1 s GLN 962 CO 0.69 -0.15 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.10 1lm1 s LEU 963 N -2.94 1.85 -0.14 2.90 1.43 -0.73 -1.28 118.68 119.77 1lm1 s LEU 963 Ca 0.10 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1lm1 s LEU 963 Cb 0.08 -0.64 0.02 0.00 0.03 0.00 0.00 46.19 45.67 1lm1 s LEU 963 CO -0.08 0.10 -0.17 -0.70 0.23 0.00 0.00 176.35 175.72 1lm1 s GLU 964 N 0.08 2.54 -0.21 1.70 2.12 -0.53 -0.19 118.70 124.22 1lm1 s GLU 964 Ca -0.02 -0.67 -0.18 0.00 0.36 0.00 0.00 54.97 54.46 1lm1 s GLU 964 Cb -0.08 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.10 1lm1 s GLU 964 CO 0.01 -0.11 0.50 0.42 -0.54 0.00 0.00 175.26 175.53 1lm1 s ILE 965 N 1.10 5.12 -0.57 -3.70 1.01 -0.62 0.20 121.20 123.73 1lm1 s ILE 965 Ca -0.02 0.90 -0.13 0.00 0.00 0.00 0.00 60.65 61.40 1lm1 s ILE 965 Cb -0.14 -3.82 0.14 0.00 0.01 0.00 0.00 42.46 38.65 1lm1 s ILE 965 CO -0.05 0.18 0.50 -0.75 0.00 0.00 0.00 174.94 174.81 1lm1 s LYS 966 N 1.68 2.93 0.04 2.79 2.20 -0.31 0.16 119.74 129.24 1lm1 s LYS 966 Ca 0.23 -1.90 -0.16 0.00 -0.36 0.00 0.00 55.97 53.78 1lm1 s LYS 966 Cb -0.15 -4.19 -0.28 0.00 -1.51 0.00 0.00 37.83 31.70 1lm1 s LYS 966 CO 0.09 -1.28 1.09 0.52 -0.36 0.00 0.00 175.35 175.42 1lm1 h MET 967 N 8.49 0.58 -2.83 4.03 2.86 -1.38 -3.42 114.93 123.26 1lm1 h MET 967 Ca -0.19 -0.74 -0.04 0.00 -2.06 0.00 0.00 59.70 56.66 1lm1 h MET 967 Cb 1.08 0.24 -0.15 0.00 0.06 0.00 0.00 31.60 32.83 1lm1 h MET 967 CO 0.92 1.33 0.11 0.00 1.06 0.00 0.00 176.91 180.33 1lm1 s ALA 968 N -3.01 -1.45 0.08 6.32 0.00 -0.91 -4.91 121.76 117.88 1lm1 s ALA 968 Ca -0.10 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.48 1lm1 s ALA 968 Cb 0.05 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1lm1 s ALA 968 CO 0.91 -0.61 -0.02 1.14 0.00 0.00 0.00 175.76 177.19 1lm1 s GLN 969 N -2.94 2.52 0.41 0.00 -2.07 -1.26 -4.46 119.66 111.87 1lm1 s GLN 969 Ca -0.03 -0.83 0.20 0.00 -1.82 0.00 0.00 55.36 52.89 1lm1 s GLN 969 Cb -0.00 -2.52 1.15 0.00 -1.09 0.00 0.00 33.01 30.54 1lm1 s GLN 969 CO -0.06 0.55 1.78 0.78 -1.32 0.00 0.00 175.29 177.02 1lm1 h GLY 970 N 3.62 1.06 2.00 2.60 0.00 -1.85 -1.01 103.07 109.49 1lm1 h GLY 970 Ca -0.48 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 46.63 1lm1 h GLY 970 CO 0.58 -0.12 -0.17 0.00 0.00 0.00 0.00 176.54 176.84 1lm1 h ALA 971 N 1.60 1.12 0.00 3.60 0.00 -1.79 -3.40 119.26 120.39 1lm1 h ALA 971 Ca 0.58 -0.16 -0.24 0.00 0.00 0.00 0.00 54.91 55.10 1lm1 h ALA 971 Cb 1.56 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 19.17 1lm1 h ALA 971 CO -0.26 0.22 -0.43 0.36 0.00 0.00 0.00 179.25 179.14 1lm1 n LYS 972 N -3.46 1.03 -0.34 0.00 2.85 -0.43 -2.60 118.16 115.21 1lm1 n LYS 972 Ca -0.01 -1.92 0.05 0.00 -1.05 0.00 0.00 58.31 55.39 1lm1 n LYS 972 Cb 0.34 -0.95 0.12 0.00 -0.65 0.00 0.00 35.03 33.89 1lm1 n LYS 972 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1lm1 n PRO 973 N 0.29 -0.10 -0.88 -1.58 -0.01 -0.91 -2.52 135.00 129.29 1lm1 n PRO 973 Ca 0.05 1.47 -0.17 0.00 -0.01 0.00 0.00 63.50 64.84 1lm1 n PRO 973 Cb 0.71 -2.20 0.12 0.00 -0.01 0.00 0.00 33.50 32.12 1lm1 n PRO 973 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1lm1 n GLY 974 N -1.58 3.86 3.22 -1.23 0.00 -1.26 -4.73 105.19 103.46 1lm1 n GLY 974 Ca 0.14 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 1lm1 n GLY 974 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lm1 s GLU 975 N -2.33 1.21 0.48 1.61 2.02 -1.05 -4.07 118.70 116.57 1lm1 s GLU 975 Ca 0.40 -1.63 0.07 0.00 0.02 0.00 0.00 54.97 53.83 1lm1 s GLU 975 Cb 0.34 0.15 0.03 0.00 0.10 0.00 0.00 34.13 34.75 1lm1 s GLU 975 CO 0.07 -0.35 0.66 0.20 0.02 0.00 0.00 175.26 175.85 1lm1 s GLY 976 N -3.18 1.88 0.38 -1.39 0.00 -1.26 -4.71 107.32 99.05 1lm1 s GLY 976 Ca 0.37 -1.74 -0.24 0.00 0.00 0.00 0.00 44.72 43.11 1lm1 s GLY 976 CO 0.11 -1.48 0.56 0.61 0.00 0.00 0.00 173.10 172.90 1lm1 n GLY 977 N -2.02 -1.48 3.37 0.20 0.00 -1.26 -4.76 105.19 99.24 1lm1 n GLY 977 Ca 0.10 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1lm1 n GLY 977 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lm1 s GLN 978 N -1.47 1.81 -0.15 1.61 -0.21 -1.26 -2.15 119.66 117.84 1lm1 s GLN 978 Ca 0.62 -1.12 -0.05 0.00 0.02 0.00 0.00 55.36 54.84 1lm1 s GLN 978 Cb -0.65 -2.01 0.06 0.00 1.00 0.00 0.00 33.01 31.40 1lm1 s GLN 978 CO 0.58 0.51 0.09 -1.17 -2.12 0.00 0.00 175.29 173.19 1lm1 s LEU 979 N -1.39 0.29 0.72 2.90 2.96 -0.89 -4.76 118.68 118.52 1lm1 s LEU 979 Ca 0.13 -0.50 -0.14 0.00 -0.22 0.00 0.00 54.13 53.40 1lm1 s LEU 979 Cb -0.10 -0.19 0.03 0.00 0.50 0.00 0.00 46.19 46.43 1lm1 s LEU 979 CO 0.03 -0.34 1.13 -2.16 -1.32 0.00 0.00 176.35 173.70 1lm1 s PRO 980 N 2.15 2.37 0.30 0.98 0.04 -1.26 -1.18 135.00 138.40 1lm1 s PRO 980 Ca 0.03 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.50 1lm1 s PRO 980 Cb -0.15 -1.89 0.45 0.00 0.04 0.00 0.00 34.50 32.95 1lm1 s PRO 980 CO -0.08 -1.60 1.88 0.78 0.04 0.00 0.00 177.00 178.02 1lm1 h GLY 981 N -0.46 0.93 -0.85 0.56 0.00 -1.82 -1.35 103.07 100.08 1lm1 h GLY 981 Ca -0.46 -0.47 0.26 0.00 0.00 0.00 0.00 47.33 46.66 1lm1 h GLY 981 CO 0.51 0.44 0.05 0.50 0.00 0.00 0.00 176.54 178.05 1lm1 h LYS 982 N 0.85 0.04 -0.00 4.80 1.57 -1.91 0.48 116.57 122.40 1lm1 h LYS 982 Ca 0.20 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1lm1 h LYS 982 Cb 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1lm1 h LYS 982 CO -0.02 0.02 -0.05 1.63 -0.57 0.00 0.00 179.45 180.47 1lm1 n LYS 983 N -5.45 0.23 -2.95 3.15 5.02 -0.51 -4.56 118.16 113.09 1lm1 n LYS 983 Ca 0.22 -0.02 -0.44 0.00 -2.02 0.00 0.00 58.31 56.05 1lm1 n LYS 983 Cb 0.73 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.22 1lm1 n LYS 983 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1lm1 s VAL 984 N -2.78 4.89 0.94 -0.18 1.01 0.17 -4.85 120.40 119.59 1lm1 s VAL 984 Ca 0.21 -2.07 -0.15 0.00 0.00 0.00 0.00 61.98 59.97 1lm1 s VAL 984 Cb 0.19 -4.83 0.17 0.00 0.00 0.00 0.00 36.38 31.92 1lm1 s VAL 984 CO 0.51 -1.54 1.26 -0.94 0.00 0.00 0.00 175.10 174.38 1lm1 s SER 985 N 3.23 3.36 0.26 3.32 1.04 -1.26 -4.55 113.70 119.10 1lm1 s SER 985 Ca 0.37 0.48 -0.02 0.00 0.48 0.00 0.00 55.95 57.25 1lm1 s SER 985 Cb -0.04 -0.69 0.44 0.00 0.10 0.00 0.00 66.02 65.83 1lm1 s SER 985 CO -0.05 -2.60 1.84 -0.33 0.98 0.00 0.00 173.24 173.08 1lm1 h GLU 986 N -1.54 0.94 0.10 4.02 5.08 -1.94 0.15 114.58 121.39 1lm1 h GLU 986 Ca -0.45 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1lm1 h GLU 986 Cb 1.27 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1lm1 h GLU 986 CO 0.47 0.62 -0.13 -0.92 -1.00 0.00 0.00 179.01 178.05 1lm1 h TYR 987 N 0.97 -0.38 -0.79 4.33 -0.00 -1.98 0.74 116.97 119.86 1lm1 h TYR 987 Ca 0.44 0.00 0.18 0.00 -0.00 0.00 0.00 58.73 59.35 1lm1 h TYR 987 Cb 0.34 0.15 -0.12 0.00 -0.00 0.00 0.00 36.73 37.10 1lm1 h TYR 987 CO -0.02 -0.17 0.21 0.82 -0.00 0.00 0.00 178.16 179.00 1lm1 h ILE 988 N -0.25 0.46 -0.28 1.81 1.08 -1.76 0.13 117.51 118.70 1lm1 h ILE 988 Ca -0.01 -0.09 0.04 0.00 -0.39 0.00 0.00 64.86 64.40 1lm1 h ILE 988 Cb 0.22 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 1lm1 h ILE 988 CO -0.03 0.05 0.07 0.00 -0.69 0.00 0.00 178.15 177.55 1lm1 h ALA 989 N 1.66 0.31 -0.22 1.87 0.00 -0.35 0.15 119.26 122.69 1lm1 h ALA 989 Ca 0.46 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.46 1lm1 h ALA 989 Cb 0.84 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1lm1 h ALA 989 CO -0.55 -0.33 -0.08 1.98 0.00 0.00 0.00 179.25 180.27 1lm1 h MET 990 N 0.19 -0.03 -0.54 0.00 1.85 0.16 0.89 114.93 117.46 1lm1 h MET 990 Ca 0.13 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.26 1lm1 h MET 990 Cb 0.12 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.12 1lm1 h MET 990 CO -0.15 -0.02 0.30 -0.07 -0.40 0.00 0.00 176.91 176.57 1lm1 h LEU 991 N -0.03 0.47 0.00 3.39 4.07 -0.19 -2.95 115.31 120.06 1lm1 h LEU 991 Ca 0.11 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1lm1 h LEU 991 Cb 0.20 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1lm1 h LEU 991 CO -0.24 0.32 -0.54 0.54 -1.08 0.00 0.00 178.44 177.43 1lm1 n ARG 992 N -4.82 0.13 -3.38 1.13 1.74 0.44 -4.53 116.66 107.37 1lm1 n ARG 992 Ca 0.05 0.04 -0.18 0.00 -0.77 0.00 0.00 57.85 56.98 1lm1 n ARG 992 Cb 0.11 -1.58 0.07 0.00 -1.02 0.00 0.00 32.46 30.04 1lm1 n ARG 992 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1lm1 n ARG 993 N -1.77 -3.22 -4.28 5.56 1.74 0.30 -4.76 116.66 110.23 1lm1 n ARG 993 Ca 0.05 0.79 -0.16 0.00 -0.77 0.00 0.00 57.85 57.76 1lm1 n ARG 993 Cb 0.38 -5.58 -0.10 0.00 -1.02 0.00 0.00 32.46 26.15 1lm1 n ARG 993 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1lm1 s SER 994 N -3.67 0.98 0.01 0.55 1.04 -0.66 -4.76 113.70 107.19 1lm1 s SER 994 Ca 0.33 -1.46 -0.23 0.00 0.48 0.00 0.00 55.95 55.07 1lm1 s SER 994 Cb -0.06 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 1lm1 s SER 994 CO 0.76 -0.83 0.71 -0.54 0.98 0.00 0.00 173.24 174.32 1lm1 s LYS 995 N -3.98 4.44 0.22 4.02 -0.14 -1.26 -4.46 119.74 118.58 1lm1 s LYS 995 Ca 0.38 0.95 -0.18 0.00 -1.36 0.00 0.00 55.97 55.75 1lm1 s LYS 995 Cb 0.06 -3.37 0.22 0.00 -1.68 0.00 0.00 37.83 33.06 1lm1 s LYS 995 CO 0.15 0.27 1.55 -1.35 -0.76 0.00 0.00 175.35 175.22 1lm1 h PRO 996 N 5.83 -0.01 -0.61 -1.68 0.11 -1.87 -1.97 132.00 131.80 1lm1 h PRO 996 Ca -0.44 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.74 1lm1 h PRO 996 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1lm1 h PRO 996 CO 0.71 -0.01 0.40 0.78 -0.21 0.00 0.00 178.00 179.68 1lm1 h GLY 997 N -0.01 0.71 -5.72 -0.55 0.00 -1.90 -3.42 103.07 92.18 1lm1 h GLY 997 Ca 0.33 -0.22 -0.60 0.00 0.00 0.00 0.00 47.33 46.84 1lm1 h GLY 997 CO -0.97 0.16 -0.30 0.14 0.00 0.00 0.00 176.54 175.57 1lm1 s VAL 998 N -5.51 5.27 0.68 4.60 1.01 -0.74 -4.46 120.40 121.25 1lm1 s VAL 998 Ca -0.08 0.60 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 1lm1 s VAL 998 Cb 0.19 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 1lm1 s VAL 998 CO 0.75 0.43 1.11 0.41 0.00 0.00 0.00 175.10 177.80 1lm1 n THR 999 N 3.19 3.74 -3.85 3.92 -1.04 -1.26 -4.62 114.28 114.37 1lm1 n THR 999 Ca -0.12 -0.43 -0.30 0.00 -2.04 0.00 0.00 64.05 61.16 1lm1 n THR 999 Cb 0.52 -1.26 -0.15 0.00 -1.82 0.00 0.00 70.33 67.62 1lm1 n THR 999 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1lm1 s LEU 1000N -3.61 2.83 -0.39 -4.42 1.43 -0.32 -4.87 118.68 109.33 1lm1 s LEU 1000Ca 0.78 -1.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.16 1lm1 s LEU 1000Cb -0.37 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 44.79 1lm1 s LEU 1000CO 0.46 -0.36 0.25 -0.63 0.23 0.00 0.00 176.35 176.30 1lm1 s ILE 1001N 1.42 4.85 0.85 -0.59 1.01 -1.26 -2.09 121.20 125.38 1lm1 s ILE 1001Ca 0.06 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 1lm1 s ILE 1001Cb -0.18 -3.72 0.10 0.00 0.01 0.00 0.00 42.46 38.67 1lm1 s ILE 1001CO -0.15 -0.29 1.09 -0.44 0.00 0.00 0.00 174.94 175.15 1lm1 s SER 1002N 1.65 3.93 0.29 3.58 0.01 -0.91 -4.98 113.70 117.27 1lm1 s SER 1002Ca 0.03 1.49 -0.29 0.00 1.31 0.00 0.00 55.95 58.49 1lm1 s SER 1002Cb -0.19 -2.19 -0.09 0.00 0.21 0.00 0.00 66.02 63.75 1lm1 s SER 1002CO 0.08 -2.35 1.03 -2.84 0.41 0.00 0.00 173.24 169.56 1lm1 s PRO 1003N -4.99 4.64 0.20 12.44 0.02 -1.26 -4.26 135.00 141.79 1lm1 s PRO 1003Ca 0.62 1.61 -0.11 0.00 0.02 0.00 0.00 61.00 63.15 1lm1 s PRO 1003Cb -0.17 -3.09 0.24 0.00 0.02 0.00 0.00 34.50 31.50 1lm1 s PRO 1003CO 0.56 0.27 1.75 -1.35 -0.33 0.00 0.00 177.00 177.90 1lm1 h PRO 1004N 3.68 0.40 -6.71 5.54 0.11 -1.87 -3.40 132.00 129.75 1lm1 h PRO 1004Ca -0.46 -0.02 -0.50 0.00 0.11 0.00 0.00 66.00 65.12 1lm1 h PRO 1004Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1lm1 h PRO 1004CO 0.66 0.27 0.01 -1.25 -0.21 0.00 0.00 178.00 177.48 1lm1 s PRO 1005N -6.11 3.69 -0.02 1.05 0.05 -1.26 -4.65 135.00 127.76 1lm1 s PRO 1005Ca -0.13 0.24 -0.30 0.00 0.05 0.00 0.00 61.00 60.86 1lm1 s PRO 1005Cb 0.16 -2.49 -0.06 0.00 0.05 0.00 0.00 34.50 32.16 1lm1 s PRO 1005CO 0.74 0.04 1.60 -1.01 0.05 0.00 0.00 177.00 178.43 1lm1 s HIS 1006N -2.30 2.26 -1.90 0.56 3.76 -1.26 -4.79 115.29 111.62 1lm1 s HIS 1006Ca 0.48 0.35 0.00 0.00 -0.15 0.00 0.00 55.06 55.74 1lm1 s HIS 1006Cb -0.10 -3.87 0.00 0.00 1.11 0.00 0.00 32.58 29.71 1lm1 s HIS 1006CO 0.32 -3.56 0.30 0.72 -0.85 0.00 0.00 174.74 171.67 1lm1 n HIS 1007N 6.41 0.00 -0.02 1.40 8.25 -1.26 -1.52 115.22 128.48 1lm1 n HIS 1007Ca 0.16 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1lm1 n HIS 1007Cb 0.42 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.47 1lm1 n HIS 1007CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1lm1 n ASP 1008N -0.42 3.23 -3.83 0.41 -0.08 -1.26 -4.85 116.55 109.75 1lm1 n ASP 1008Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 1lm1 n ASP 1008Cb 0.01 1.00 -0.14 0.00 2.34 0.00 0.00 41.12 44.33 1lm1 n ASP 1008CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1lm1 s ILE 1009N -2.35 1.80 -1.03 5.18 1.01 -0.58 -4.73 121.20 120.51 1lm1 s ILE 1009Ca -0.03 -2.57 0.10 0.00 0.00 0.00 0.00 60.65 58.15 1lm1 s ILE 1009Cb 0.03 -2.28 0.23 0.00 0.01 0.00 0.00 42.46 40.46 1lm1 s ILE 1009CO 0.31 -0.79 1.13 -1.22 0.00 0.00 0.00 174.94 174.36 1lm1 n TYR 1010N 3.72 0.31 -3.71 3.97 0.53 -1.26 -4.57 117.16 116.15 1lm1 n TYR 1010Ca 0.05 -0.35 0.01 0.00 -1.02 0.00 0.00 57.90 56.59 1lm1 n TYR 1010Cb 0.36 -0.02 -0.00 0.00 -1.03 0.00 0.00 39.34 38.65 1lm1 n TYR 1010CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 1lm1 s SER 1011N -0.97 -0.05 0.05 7.72 1.04 -1.22 -4.33 113.70 115.94 1lm1 s SER 1011Ca 0.19 -0.20 -0.25 0.00 0.48 0.00 0.00 55.95 56.18 1lm1 s SER 1011Cb 0.11 0.20 -0.17 0.00 0.10 0.00 0.00 66.02 66.26 1lm1 s SER 1011CO 0.15 -0.38 1.54 -0.29 0.98 0.00 0.00 173.24 175.24 1lm1 h ILE 1012N 2.00 1.03 -0.67 -1.02 6.09 -1.79 0.59 117.51 123.73 1lm1 h ILE 1012Ca -0.28 -0.39 0.13 0.00 -1.37 0.00 0.00 64.86 62.95 1lm1 h ILE 1012Cb 1.20 1.28 -0.10 0.00 0.47 0.00 0.00 36.82 39.67 1lm1 h ILE 1012CO 0.29 0.10 0.17 -0.33 -3.07 0.00 0.00 178.15 175.30 1lm1 h GLU 1013N -0.29 0.28 -0.49 2.19 3.07 -1.92 0.91 114.58 118.33 1lm1 h GLU 1013Ca -0.01 -0.02 0.10 0.00 -0.50 0.00 0.00 59.36 58.93 1lm1 h GLU 1013Cb 0.25 -0.06 -0.10 0.00 -0.84 0.00 0.00 28.75 27.99 1lm1 h GLU 1013CO 0.02 0.18 -0.20 -0.44 -1.40 0.00 0.00 179.01 177.18 1lm1 h ASP 1014N 0.29 -0.68 -0.76 1.42 5.19 -1.80 0.50 116.42 120.58 1lm1 h ASP 1014Ca 0.36 0.17 0.16 0.00 -0.62 0.00 0.00 57.03 57.11 1lm1 h ASP 1014Cb 0.57 0.39 -0.11 0.00 0.18 0.00 0.00 39.33 40.36 1lm1 h ASP 1014CO -0.44 -0.23 0.24 0.25 -3.12 0.00 0.00 179.24 175.94 1lm1 h LEU 1015N -0.09 0.12 -1.00 1.55 6.46 0.30 0.02 115.31 122.69 1lm1 h LEU 1015Ca 0.23 0.14 -0.07 0.00 -0.12 0.00 0.00 57.88 58.06 1lm1 h LEU 1015Cb 0.44 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1lm1 h LEU 1015CO -0.55 0.01 -0.05 0.00 -0.62 0.00 0.00 178.44 177.22 1lm1 h ALA 1016N 1.60 1.17 -0.91 1.25 0.00 0.14 -1.53 119.26 120.97 1lm1 h ALA 1016Ca 0.43 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1lm1 h ALA 1016Cb 0.72 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1lm1 h ALA 1016CO -0.48 0.54 0.57 1.96 0.00 0.00 0.00 179.25 181.84 1lm1 h GLN 1017N 0.62 1.00 -0.11 0.00 1.08 0.19 -1.27 115.11 116.61 1lm1 h GLN 1017Ca 0.12 -0.06 -0.23 0.00 -1.45 0.00 0.00 58.65 57.02 1lm1 h GLN 1017Cb 0.47 -0.23 0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1lm1 h GLN 1017CO 0.02 0.66 -0.85 1.25 -0.95 0.00 0.00 178.83 178.97 1lm1 h LEU 1018N 1.03 0.93 -1.05 1.46 5.85 -0.84 -0.50 115.31 122.19 1lm1 h LEU 1018Ca 0.40 -0.64 0.09 0.00 0.84 0.00 0.00 57.88 58.57 1lm1 h LEU 1018Cb 0.20 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 1lm1 h LEU 1018CO -0.18 1.44 0.63 0.40 -0.34 0.00 0.00 178.44 180.39 1lm1 h ILE 1019N 0.50 1.02 -0.02 4.05 2.04 -1.17 0.25 117.51 124.18 1lm1 h ILE 1019Ca -0.07 -0.37 -0.22 0.00 1.00 0.00 0.00 64.86 65.20 1lm1 h ILE 1019Cb 1.48 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1lm1 h ILE 1019CO 0.17 0.20 -0.91 0.22 0.00 0.00 0.00 178.15 177.83 1lm1 h TYR 1020N 1.08 0.68 -0.45 1.37 3.20 -1.05 0.13 116.97 121.93 1lm1 h TYR 1020Ca 0.45 -0.35 0.07 0.00 3.14 0.00 0.00 58.73 62.03 1lm1 h TYR 1020Cb 0.30 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 1lm1 h TYR 1020CO -0.00 1.17 0.12 -0.44 -1.64 0.00 0.00 178.16 177.36 1lm1 h ASP 1021N 0.28 0.07 -0.11 -2.11 3.32 -0.22 0.21 116.42 117.86 1lm1 h ASP 1021Ca -0.07 0.07 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1lm1 h ASP 1021Cb 1.53 0.08 0.01 0.00 0.22 0.00 0.00 39.33 41.17 1lm1 h ASP 1021CO 0.16 0.07 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.14 1lm1 h LEU 1022N 0.26 0.67 -1.93 1.55 3.38 -0.58 -0.72 115.31 117.94 1lm1 h LEU 1022Ca 0.22 -0.64 0.03 0.00 0.09 0.00 0.00 57.88 57.58 1lm1 h LEU 1022Cb 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1lm1 h LEU 1022CO -0.26 1.20 0.11 0.45 0.09 0.00 0.00 178.44 180.03 1lm1 h HIS 1023N 0.18 0.09 -0.19 1.13 3.86 -0.54 -1.40 115.15 118.29 1lm1 h HIS 1023Ca -0.04 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.97 1lm1 h HIS 1023Cb 1.18 -0.03 0.01 0.00 1.06 0.00 0.00 27.41 29.63 1lm1 h HIS 1023CO 0.11 0.05 -0.68 0.37 0.86 0.00 0.00 177.93 178.64 1lm1 h GLN 1024N 0.09 0.79 0.07 2.45 5.75 -0.08 -2.05 115.11 122.13 1lm1 h GLN 1024Ca 0.07 -0.60 -0.27 0.00 -0.15 0.00 0.00 58.65 57.70 1lm1 h GLN 1024Cb 0.17 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 1lm1 h GLN 1024CO -0.01 1.21 -1.32 0.97 -2.65 0.00 0.00 178.83 177.03 1lm1 h ILE 1025N 0.53 1.37 -2.21 2.39 2.10 -0.58 -3.34 117.51 117.77 1lm1 h ILE 1025Ca -0.03 -3.04 -0.51 0.00 1.08 0.00 0.00 64.86 62.36 1lm1 h ILE 1025Cb 1.30 2.79 -0.35 0.00 -1.09 0.00 0.00 36.82 39.47 1lm1 h ILE 1025CO 0.14 0.84 -0.85 0.21 -1.08 0.00 0.00 178.15 177.41 1lm1 s ASN 1026N -6.83 1.44 0.08 2.19 2.47 -0.58 -4.35 114.94 109.36 1lm1 s ASN 1026Ca -0.04 -2.49 0.05 0.00 0.42 0.00 0.00 52.86 50.80 1lm1 s ASN 1026Cb 0.08 -0.03 0.28 0.00 -1.45 0.00 0.00 41.25 40.13 1lm1 s ASN 1026CO 0.85 -0.20 1.13 -2.65 -3.72 0.00 0.00 177.10 172.50 1lm1 n PRO 1027N 3.36 0.03 0.00 0.43 -0.02 -0.77 -2.47 135.00 135.56 1lm1 n PRO 1027Ca 0.22 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 1lm1 n PRO 1027Cb 0.46 -1.64 0.04 0.00 -0.02 0.00 0.00 33.50 32.34 1lm1 n PRO 1027CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1lm1 n GLU 1028N -1.66 0.33 -3.86 -0.52 -0.58 -1.26 -4.89 120.64 108.19 1lm1 n GLU 1028Ca -0.00 -0.25 -0.36 0.00 -0.42 0.00 0.00 57.16 56.13 1lm1 n GLU 1028Cb 0.04 -1.49 -0.11 0.00 -0.57 0.00 0.00 31.44 29.30 1lm1 n GLU 1028CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lm1 s ALA 1029N -2.84 3.30 0.21 0.62 0.00 -1.03 -4.95 121.76 117.05 1lm1 s ALA 1029Ca 0.13 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 1lm1 s ALA 1029Cb 0.17 -2.05 -0.09 0.00 0.00 0.00 0.00 23.12 21.16 1lm1 s ALA 1029CO 0.73 -0.21 1.31 -0.65 0.00 0.00 0.00 175.76 176.95 1lm1 s GLN 1030N 1.10 4.39 -0.32 0.00 -0.21 -1.17 -4.77 119.66 118.67 1lm1 s GLN 1030Ca 0.05 2.06 -0.12 0.00 0.02 0.00 0.00 55.36 57.37 1lm1 s GLN 1030Cb -0.14 -3.19 -0.03 0.00 1.00 0.00 0.00 33.01 30.65 1lm1 s GLN 1030CO 0.03 -0.25 0.23 0.08 -2.12 0.00 0.00 175.29 173.27 1lm1 s VAL 1031N 0.06 5.29 0.45 1.09 1.01 -1.26 -1.78 120.40 125.26 1lm1 s VAL 1031Ca 0.56 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1lm1 s VAL 1031Cb -0.37 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1lm1 s VAL 1031CO 0.39 0.06 0.70 -0.94 0.00 0.00 0.00 175.10 175.30 1lm1 s SER 1032N 1.73 6.01 -0.05 3.32 1.04 0.73 0.84 113.70 127.32 1lm1 s SER 1032Ca 0.07 0.53 0.01 0.00 0.48 0.00 0.00 55.95 57.03 1lm1 s SER 1032Cb -0.17 -1.84 0.02 0.00 0.10 0.00 0.00 66.02 64.13 1lm1 s SER 1032CO 0.11 -0.62 -0.07 -0.69 0.98 0.00 0.00 173.24 172.95 1lm1 s VAL 1033N -2.60 0.70 -0.26 5.02 1.01 0.35 -1.59 120.40 123.03 1lm1 s VAL 1033Ca 0.47 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 1lm1 s VAL 1033Cb -0.10 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1lm1 s VAL 1033CO 0.40 0.26 0.06 -0.75 0.00 0.00 0.00 175.10 175.07 1lm1 s LYS 1034N 0.86 3.40 0.24 2.72 2.20 0.12 -1.96 119.74 127.33 1lm1 s LYS 1034Ca -0.12 -0.64 0.12 0.00 -0.36 0.00 0.00 55.97 54.96 1lm1 s LYS 1034Cb -0.15 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1lm1 s LYS 1034CO 0.01 -0.29 -0.21 -0.51 -0.36 0.00 0.00 175.35 173.98 1lm1 s LEU 1035N 1.56 2.52 -0.08 5.43 1.43 0.38 -0.97 118.68 128.95 1lm1 s LEU 1035Ca 0.05 -0.96 0.02 0.00 -1.03 0.00 0.00 54.13 52.21 1lm1 s LEU 1035Cb -0.16 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 1lm1 s LEU 1035CO 0.02 0.06 -0.13 -0.69 0.23 0.00 0.00 176.35 175.85 1lm1 s VAL 1036N -2.19 3.13 0.20 -1.59 1.01 -1.26 -2.34 120.40 117.36 1lm1 s VAL 1036Ca 0.26 -0.68 -0.32 0.00 0.00 0.00 0.00 61.98 61.24 1lm1 s VAL 1036Cb -0.06 -2.26 -0.15 0.00 0.00 0.00 0.00 36.38 33.91 1lm1 s VAL 1036CO 0.13 0.57 1.29 0.00 0.00 0.00 0.00 175.10 177.08 1lm1 n ALA 1037N 2.70 0.12 -3.56 5.51 0.00 -0.78 -4.86 120.51 119.64 1lm1 n ALA 1037Ca -0.18 0.44 -0.07 0.00 0.00 0.00 0.00 53.44 53.64 1lm1 n ALA 1037Cb 0.52 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 1lm1 n ALA 1037CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1lm1 s GLU 1038N -0.34 0.52 0.15 0.00 -1.05 -1.26 -2.02 118.70 114.69 1lm1 s GLU 1038Ca 0.71 -0.13 -0.32 0.00 -0.15 0.00 0.00 54.97 55.08 1lm1 s GLU 1038Cb -0.76 0.24 -0.12 0.00 -0.44 0.00 0.00 34.13 33.06 1lm1 s GLU 1038CO 0.51 -0.22 1.77 1.51 0.95 0.00 0.00 175.26 179.78 1lm1 n ILE 1039N 0.01 0.21 0.00 1.83 0.00 -1.26 -1.48 119.36 118.67 1lm1 n ILE 1039Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 62.75 62.67 1lm1 n ILE 1039Cb 0.59 -2.00 0.00 0.00 0.00 0.00 0.00 39.64 38.24 1lm1 n ILE 1039CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1lm1 n GLY 1040N 4.06 1.03 0.31 4.50 0.00 -1.26 -4.97 105.19 108.86 1lm1 n GLY 1040Ca 0.17 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.39 1lm1 n GLY 1040CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lm1 h ILE 1041N 0.00 0.17 0.63 -0.61 2.10 -1.61 -2.16 117.51 116.03 1lm1 h ILE 1041Ca 0.00 -0.14 -0.03 0.00 1.08 0.00 0.00 64.86 65.77 1lm1 h ILE 1041Cb 0.00 1.11 0.01 0.00 -1.09 0.00 0.00 36.82 36.85 1lm1 h ILE 1041CO 0.00 0.02 -0.30 1.23 -1.08 0.00 0.00 178.15 178.01 1lm1 h GLY 1042N 0.38 -0.88 0.21 8.18 0.00 -1.84 0.22 103.07 109.34 1lm1 h GLY 1042Ca -0.00 0.33 0.10 0.00 0.00 0.00 0.00 47.33 47.76 1lm1 h GLY 1042CO 0.00 -0.32 0.06 -0.84 0.00 0.00 0.00 176.54 175.44 1lm1 h THR 1043N -1.15 0.64 -0.22 4.70 2.02 -1.86 -1.12 112.91 115.92 1lm1 h THR 1043Ca -0.09 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.08 1lm1 h THR 1043Cb 0.68 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 1lm1 h THR 1043CO 0.14 0.03 -0.09 0.40 0.37 0.00 0.00 175.52 176.37 1lm1 h ILE 1044N 0.18 0.70 -0.80 3.11 2.04 -1.11 -1.00 117.51 120.62 1lm1 h ILE 1044Ca 0.27 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.21 1lm1 h ILE 1044Cb 0.40 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1lm1 h ILE 1044CO -0.39 0.00 0.52 0.00 0.00 0.00 0.00 178.15 178.28 1lm1 h ALA 1045N 1.14 1.69 -0.55 1.87 0.00 0.07 0.94 119.26 124.41 1lm1 h ALA 1045Ca 0.11 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1lm1 h ALA 1045Cb 0.23 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1lm1 h ALA 1045CO -0.26 0.17 0.18 0.00 0.00 0.00 0.00 179.25 179.34 1lm1 h ALA 1046N 1.58 0.69 -0.16 0.00 0.00 0.06 0.45 119.26 121.88 1lm1 h ALA 1046Ca 0.36 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.37 1lm1 h ALA 1046Cb 0.34 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1lm1 h ALA 1046CO -0.13 -0.23 0.02 0.78 0.00 0.00 0.00 179.25 179.69 1lm1 h GLY 1047N 0.35 0.17 0.89 0.00 0.00 -0.59 0.97 103.07 104.86 1lm1 h GLY 1047Ca 0.28 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.63 1lm1 h GLY 1047CO -0.30 -0.01 0.51 -2.08 0.00 0.00 0.00 176.54 174.67 1lm1 h VAL 1048N 0.09 1.13 0.05 4.60 2.07 -0.27 0.69 116.25 124.62 1lm1 h VAL 1048Ca 0.07 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1lm1 h VAL 1048Cb 0.07 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1lm1 h VAL 1048CO -0.10 0.18 -0.03 0.00 0.02 0.00 0.00 177.57 177.65 1lm1 h ALA 1049N 1.33 -0.07 0.00 1.67 0.00 0.24 -2.17 119.26 120.26 1lm1 h ALA 1049Ca 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1lm1 h ALA 1049Cb -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1lm1 h ALA 1049CO -0.11 -0.51 -0.04 0.87 0.00 0.00 0.00 179.25 179.46 1lm1 h LYS 1050N -0.14 0.00 -0.55 0.00 1.57 0.68 -2.43 116.57 115.71 1lm1 h LYS 1050Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1lm1 h LYS 1050Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1lm1 h LYS 1050CO 0.01 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 1lm1 n ALA 1051N -2.27 2.52 -1.31 3.86 0.00 0.23 -4.88 120.51 118.65 1lm1 n ALA 1051Ca -0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 1lm1 n ALA 1051Cb 0.14 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 1lm1 n ALA 1051CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1lm1 n ASN 1052N -0.20 -4.54 -4.64 0.00 4.05 -0.91 -4.54 115.26 104.48 1lm1 n ASN 1052Ca 0.01 0.27 -0.39 0.00 0.45 0.00 0.00 54.58 54.91 1lm1 n ASN 1052Cb 0.15 -2.99 0.04 0.00 1.23 0.00 0.00 39.78 38.22 1lm1 n ASN 1052CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1lm1 n ALA 1053N 1.20 0.45 0.03 5.20 0.00 -1.15 -4.79 120.51 121.46 1lm1 n ALA 1053Ca -0.11 0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1lm1 n ALA 1053Cb 0.39 -2.15 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 1lm1 n ALA 1053CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1lm1 n ASP 1054N -0.50 0.79 -3.79 0.00 8.00 0.25 -4.75 116.55 116.54 1lm1 n ASP 1054Ca 0.12 0.34 -0.13 0.00 0.71 0.00 0.00 54.79 55.83 1lm1 n ASP 1054Cb 0.45 0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 41.76 1lm1 n ASP 1054CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lm1 s ILE 1055N -2.99 0.03 0.05 0.53 1.01 -0.83 -2.79 121.20 116.22 1lm1 s ILE 1055Ca -0.03 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.42 1lm1 s ILE 1055Cb 0.09 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 42.06 1lm1 s ILE 1055CO 0.81 -0.15 -0.21 -0.63 0.00 0.00 0.00 174.94 174.77 1lm1 s ILE 1056N -0.58 1.69 -0.06 2.92 1.01 -0.70 -0.49 121.20 124.99 1lm1 s ILE 1056Ca -0.07 -1.26 0.02 0.00 0.00 0.00 0.00 60.65 59.34 1lm1 s ILE 1056Cb -0.04 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.96 1lm1 s ILE 1056CO 0.02 0.17 -0.09 -1.58 0.00 0.00 0.00 174.94 173.46 1lm1 s GLN 1057N -1.29 1.35 -0.07 2.79 2.00 -0.83 -0.72 119.66 122.89 1lm1 s GLN 1057Ca 0.07 -0.29 0.02 0.00 -2.00 0.00 0.00 55.36 53.17 1lm1 s GLN 1057Cb -0.09 -1.17 -0.03 0.00 0.80 0.00 0.00 33.01 32.52 1lm1 s GLN 1057CO 0.02 -0.01 -0.12 0.42 -0.50 0.00 0.00 175.29 175.10 1lm1 s ILE 1058N 0.75 3.23 -0.05 -2.34 1.01 0.80 -0.47 121.20 124.13 1lm1 s ILE 1058Ca -0.13 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.88 1lm1 s ILE 1058Cb -0.15 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.04 1lm1 s ILE 1058CO 0.02 0.58 -0.06 -0.44 0.00 0.00 0.00 174.94 175.04 1lm1 s SER 1059N -0.60 1.16 0.64 3.58 0.01 -0.99 -1.15 113.70 116.35 1lm1 s SER 1059Ca 0.09 -0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.10 1lm1 s SER 1059Cb -0.11 -0.54 0.01 0.00 0.21 0.00 0.00 66.02 65.59 1lm1 s SER 1059CO 0.01 -0.04 0.98 -0.83 0.41 0.00 0.00 173.24 173.78 1lm1 s GLY 1060N 0.87 1.62 0.00 3.44 0.00 0.11 -1.86 107.32 111.49 1lm1 s GLY 1060Ca -0.12 -0.56 0.12 0.00 0.00 0.00 0.00 44.72 44.16 1lm1 s GLY 1060CO 0.01 -0.24 1.35 -2.39 0.00 0.00 0.00 173.10 171.83 1lm1 n HIS 1061N -2.77 0.00 -0.23 1.90 1.44 -0.92 -2.20 115.22 112.45 1lm1 n HIS 1061Ca 0.06 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.69 1lm1 n HIS 1061Cb 0.58 -0.41 0.03 0.00 0.12 0.00 0.00 29.99 30.31 1lm1 n HIS 1061CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 1lm1 h ASP 1062N 0.00 0.89 -3.78 4.39 1.82 -1.84 -3.40 116.42 114.50 1lm1 h ASP 1062Ca 0.00 -0.18 -0.43 0.00 -0.39 0.00 0.00 57.03 56.02 1lm1 h ASP 1062Cb 0.17 -0.23 0.18 0.00 0.68 0.00 0.00 39.33 40.12 1lm1 h ASP 1062CO 0.00 0.83 0.27 -0.83 -1.61 0.00 0.00 179.24 177.90 1lm1 s GLY 1063N -3.21 1.66 0.50 -0.78 0.00 -0.93 -2.98 107.32 101.58 1lm1 s GLY 1063Ca -0.13 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 1lm1 s GLY 1063CO 0.81 -0.21 0.74 -0.32 0.00 0.00 0.00 173.10 174.12 1lm1 s GLY 1064N -4.32 1.60 0.13 0.20 0.00 -1.26 -3.56 107.32 100.11 1lm1 s GLY 1064Ca 0.72 -0.98 -0.13 0.00 0.00 0.00 0.00 44.72 44.33 1lm1 s GLY 1064CO 0.55 -0.77 0.33 -0.51 0.00 0.00 0.00 173.10 172.69 1lm1 s THR 1065N -2.69 0.09 -1.19 0.90 -4.23 -1.26 -4.55 115.64 102.71 1lm1 s THR 1065Ca 0.50 -0.91 0.16 0.00 -1.18 0.00 0.00 61.69 60.27 1lm1 s THR 1065Cb -0.10 -1.36 0.65 0.00 1.34 0.00 0.00 72.50 73.03 1lm1 s THR 1065CO 0.40 -0.41 1.54 0.61 -0.54 0.00 0.00 174.62 176.22 1lm1 n GLY 1066N -0.18 2.44 0.00 3.99 0.00 -1.26 0.31 105.19 110.49 1lm1 n GLY 1066Ca -0.14 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1lm1 n GLY 1066CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 n ALA 1067N 1.00 0.00 -3.14 4.61 0.00 -1.26 -1.71 120.51 120.02 1lm1 n ALA 1067Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.58 1lm1 n ALA 1067Cb 0.82 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.22 1lm1 n ALA 1067CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1lm1 s SER 1068N 0.00 -0.17 0.43 0.00 0.01 0.09 -4.59 113.70 109.47 1lm1 s SER 1068Ca 0.00 -0.58 -0.26 0.00 1.31 0.00 0.00 55.95 56.42 1lm1 s SER 1068Cb 0.00 0.54 -0.09 0.00 0.21 0.00 0.00 66.02 66.68 1lm1 s SER 1068CO 0.00 -1.00 1.41 -2.16 0.41 0.00 0.00 173.24 171.90 1lm1 s PRO 1069N -3.90 3.83 0.29 12.44 0.04 -1.26 -0.06 135.00 146.38 1lm1 s PRO 1069Ca 0.11 2.40 0.01 0.00 0.04 0.00 0.00 61.00 63.56 1lm1 s PRO 1069Cb 0.00 -2.74 0.55 0.00 0.04 0.00 0.00 34.50 32.35 1lm1 s PRO 1069CO -0.02 -0.69 1.85 1.25 0.04 0.00 0.00 177.00 179.42 1lm1 h LEU 1070N 2.54 0.93 -0.81 -3.56 5.85 -1.67 -2.26 115.31 116.31 1lm1 h LEU 1070Ca -0.51 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.31 1lm1 h LEU 1070Cb 1.26 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 1lm1 h LEU 1070CO 0.62 0.51 0.50 0.77 -0.34 0.00 0.00 178.44 180.50 1lm1 h SER 1071N 1.00 0.78 0.72 1.25 4.64 -1.91 -1.48 113.55 118.56 1lm1 h SER 1071Ca 0.48 0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.61 1lm1 h SER 1071Cb 0.45 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1lm1 h SER 1071CO -0.24 0.51 -0.94 0.28 -0.87 0.00 0.00 176.83 175.56 1lm1 h SER 1072N 0.92 0.18 -0.93 4.97 0.02 -1.73 1.34 113.55 118.31 1lm1 h SER 1072Ca 0.35 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1lm1 h SER 1072Cb 0.15 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 1lm1 h SER 1072CO -0.17 1.02 0.61 0.40 -1.14 0.00 0.00 176.83 177.56 1lm1 h ILE 1073N 0.06 1.21 0.00 3.27 2.04 -1.15 -3.15 117.51 119.79 1lm1 h ILE 1073Ca -0.04 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1lm1 h ILE 1073Cb 1.62 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1lm1 h ILE 1073CO 0.14 0.22 -1.38 0.29 0.00 0.00 0.00 178.15 177.42 1lm1 n LYS 1074N -4.41 0.36 0.00 2.37 4.76 -0.50 -4.02 118.16 116.72 1lm1 n LYS 1074Ca 0.11 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1lm1 n LYS 1074Cb 0.05 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 1lm1 n LYS 1074CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1lm1 n HIS 1075N -1.98 0.00 -4.78 2.13 8.25 0.45 -5.05 115.22 114.24 1lm1 n HIS 1075Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.16 1lm1 n HIS 1075Cb 0.46 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.44 1lm1 n HIS 1075CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lm1 s ALA 1076N -0.05 2.44 0.00 -1.41 0.00 -1.19 0.96 121.76 122.50 1lm1 s ALA 1076Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1lm1 s ALA 1076Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.50 1lm1 s ALA 1076CO 0.00 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.72 1lm1 n GLY 1077N 1.68 0.58 3.26 0.00 0.00 -1.19 -4.77 105.19 104.75 1lm1 n GLY 1077Ca -0.17 -1.77 -0.17 0.00 0.00 0.00 0.00 46.02 43.92 1lm1 n GLY 1077CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lm1 s SER 1078N -1.37 2.05 0.13 1.61 0.01 -0.86 -4.70 113.70 110.58 1lm1 s SER 1078Ca 0.00 -0.91 -0.34 0.00 1.31 0.00 0.00 55.95 56.01 1lm1 s SER 1078Cb 0.00 -0.06 -0.17 0.00 0.21 0.00 0.00 66.02 65.99 1lm1 s SER 1078CO 0.00 -0.21 0.98 -2.65 0.41 0.00 0.00 173.24 171.78 1lm1 n PRO 1079N 0.13 0.56 0.29 12.44 -0.02 -1.26 -2.16 135.00 144.97 1lm1 n PRO 1079Ca -0.12 0.20 0.16 0.00 -2.02 0.00 0.00 63.50 61.71 1lm1 n PRO 1079Cb 0.59 -1.58 0.89 0.00 -0.02 0.00 0.00 33.50 33.38 1lm1 n PRO 1079CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1lm1 h TRP 1080N 2.69 0.00 -0.11 6.00 5.08 -1.88 -1.57 115.95 126.16 1lm1 h TRP 1080Ca -0.42 0.00 0.03 0.00 1.08 0.00 0.00 58.89 59.58 1lm1 h TRP 1080Cb 1.39 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.55 1lm1 h TRP 1080CO 0.52 0.04 0.09 0.93 -1.28 0.00 0.00 178.44 178.74 1lm1 h GLU 1081N 0.00 0.00 0.21 0.12 3.07 -1.97 0.10 114.58 116.11 1lm1 h GLU 1081Ca -0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.55 1lm1 h GLU 1081Cb 0.14 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.07 1lm1 h GLU 1081CO 0.01 0.00 -1.40 -0.07 -1.40 0.00 0.00 179.01 176.15 1lm1 h LEU 1082N 0.00 0.68 0.29 1.33 3.38 -1.66 -3.15 115.31 116.18 1lm1 h LEU 1082Ca 0.05 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.10 1lm1 h LEU 1082Cb 0.23 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1lm1 h LEU 1082CO -0.00 1.66 -0.50 1.23 0.09 0.00 0.00 178.44 180.92 1lm1 h GLY 1083N 0.14 -1.21 0.82 0.83 0.00 -0.77 -0.74 103.07 102.14 1lm1 h GLY 1083Ca -0.26 0.62 -0.04 0.00 0.00 0.00 0.00 47.33 47.65 1lm1 h GLY 1083CO 0.21 -0.32 -0.46 -2.08 0.00 0.00 0.00 176.54 173.89 1lm1 h VAL 1084N -0.84 0.00 -0.65 4.60 2.07 -1.01 -1.94 116.25 118.48 1lm1 h VAL 1084Ca -0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1lm1 h VAL 1084Cb 0.78 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 1lm1 h VAL 1084CO -0.18 0.00 -0.39 0.41 0.02 0.00 0.00 177.57 177.44 1lm1 n THR 1085N -5.36 -0.44 0.17 2.57 -1.04 -1.19 -0.12 114.28 108.86 1lm1 n THR 1085Ca -0.15 1.93 -0.14 0.00 -2.04 0.00 0.00 64.05 63.66 1lm1 n THR 1085Cb 0.48 -2.42 -0.07 0.00 -1.82 0.00 0.00 70.33 66.50 1lm1 n THR 1085CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1lm1 h GLU 1086N 0.00 -0.40 -0.19 -2.82 4.81 -1.08 0.00 114.58 114.90 1lm1 h GLU 1086Ca 0.10 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1lm1 h GLU 1086Cb 0.27 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.67 1lm1 h GLU 1086CO -0.61 -0.27 -0.26 0.28 -0.73 0.00 0.00 179.01 177.42 1lm1 h VAL 1087N -0.42 0.37 -0.99 0.32 2.07 -1.15 -0.77 116.25 115.69 1lm1 h VAL 1087Ca -0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 1lm1 h VAL 1087Cb 0.36 0.37 -0.09 0.00 -1.52 0.00 0.00 31.29 30.41 1lm1 h VAL 1087CO 0.01 0.00 0.62 -0.74 0.02 0.00 0.00 177.57 177.48 1lm1 h HIS 1088N -0.30 1.07 0.05 1.57 -0.00 -0.08 -0.35 115.15 117.10 1lm1 h HIS 1088Ca 0.12 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1lm1 h HIS 1088Cb 0.48 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 1lm1 h HIS 1088CO -0.39 0.35 -0.02 -0.09 -0.00 0.00 0.00 177.93 177.78 1lm1 h ARG 1089N 0.86 -0.06 -0.17 5.26 2.43 -0.39 -2.34 114.38 119.97 1lm1 h ARG 1089Ca 0.52 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.69 1lm1 h ARG 1089Cb 0.69 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1lm1 h ARG 1089CO -0.30 0.55 0.09 0.28 -1.51 0.00 0.00 179.97 179.08 1lm1 h VAL 1090N -0.75 1.12 -0.88 0.20 2.07 -0.84 0.87 116.25 118.03 1lm1 h VAL 1090Ca -0.01 -0.32 0.19 0.00 0.82 0.00 0.00 66.70 67.38 1lm1 h VAL 1090Cb 0.64 1.01 -0.11 0.00 -1.52 0.00 0.00 31.29 31.31 1lm1 h VAL 1090CO 0.01 0.11 0.43 -0.07 0.02 0.00 0.00 177.57 178.07 1lm1 h LEU 1091N 0.16 0.45 -0.23 2.57 3.38 -1.18 -0.16 115.31 120.30 1lm1 h LEU 1091Ca 0.06 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1lm1 h LEU 1091Cb 0.09 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1lm1 h LEU 1091CO -0.01 0.11 0.06 0.24 0.09 0.00 0.00 178.44 178.93 1lm1 h MET 1092N 0.52 0.36 0.00 1.13 2.86 -0.50 0.27 114.93 119.57 1lm1 h MET 1092Ca 0.52 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 58.01 1lm1 h MET 1092Cb 0.88 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1lm1 h MET 1092CO -0.45 0.47 -0.33 0.93 1.06 0.00 0.00 176.91 178.59 1lm1 h GLU 1093N 0.19 0.00 -0.00 1.72 4.39 -0.26 -1.39 114.58 119.23 1lm1 h GLU 1093Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1lm1 h GLU 1093Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1lm1 h GLU 1093CO -0.00 0.33 -0.17 0.09 -1.16 0.00 0.00 179.01 178.10 1lm1 n ASN 1094N -3.86 0.51 -1.88 1.42 3.02 -0.13 -4.91 115.26 109.43 1lm1 n ASN 1094Ca -0.01 -0.47 -0.14 0.00 -0.03 0.00 0.00 54.58 53.92 1lm1 n ASN 1094Cb 0.40 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.54 1lm1 n ASN 1094CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lm1 n GLN 1095N -1.03 -2.52 0.00 3.52 6.02 -0.53 -4.76 117.38 118.08 1lm1 n GLN 1095Ca 0.12 0.61 0.03 0.00 -0.01 0.00 0.00 57.00 57.75 1lm1 n GLN 1095Cb 0.30 -4.83 -0.02 0.00 1.02 0.00 0.00 30.24 26.72 1lm1 n GLN 1095CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1lm1 n LEU 1096N -2.46 0.62 -0.23 1.08 4.77 0.77 -4.70 117.00 116.85 1lm1 n LEU 1096Ca -0.10 -0.64 0.17 0.00 -0.03 0.00 0.00 56.01 55.41 1lm1 n LEU 1096Cb 0.59 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 42.16 1lm1 n LEU 1096CO 0.27 0.14 1.22 -0.09 -1.33 0.00 0.00 177.39 177.59 1lm1 h ARG 1097N 0.35 0.46 0.00 3.23 9.65 -1.39 1.18 114.38 127.87 1lm1 h ARG 1097Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1lm1 h ARG 1097Cb 0.17 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1lm1 h ARG 1097CO 0.00 0.30 0.00 0.38 2.80 0.00 0.00 179.97 183.45 1lm1 h ASP 1098N 0.47 0.00 0.66 -3.80 2.03 -1.84 -3.20 116.42 110.74 1lm1 h ASP 1098Ca 0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.74 1lm1 h ASP 1098Cb 1.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 1lm1 h ASP 1098CO -0.17 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.58 1lm1 n ARG 1099N -2.84 0.02 -3.73 4.15 1.74 0.41 -4.43 116.66 111.97 1lm1 n ARG 1099Ca 0.00 0.21 -0.13 0.00 -0.77 0.00 0.00 57.85 57.16 1lm1 n ARG 1099Cb 0.23 -1.54 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 1lm1 n ARG 1099CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1lm1 s VAL 1100N -3.03 -0.01 0.07 1.55 0.11 -1.21 -4.72 120.40 113.17 1lm1 s VAL 1100Ca 0.08 0.02 -0.24 0.00 -2.93 0.00 0.00 61.98 58.92 1lm1 s VAL 1100Cb 0.12 -0.55 -0.06 0.00 -1.53 0.00 0.00 36.38 34.36 1lm1 s VAL 1100CO 0.34 0.01 0.73 -0.22 -3.33 0.00 0.00 175.10 172.63 1lm1 s LEU 1101N 0.46 4.49 -0.15 2.54 2.96 -1.12 -4.95 118.68 122.91 1lm1 s LEU 1101Ca -0.02 1.44 -0.14 0.00 -0.22 0.00 0.00 54.13 55.19 1lm1 s LEU 1101Cb -0.04 -3.17 -0.05 0.00 0.50 0.00 0.00 46.19 43.43 1lm1 s LEU 1101CO -0.02 0.10 0.29 -0.76 -1.32 0.00 0.00 176.35 174.63 1lm1 s LEU 1102N -0.42 4.26 -0.00 -0.68 1.43 -1.26 -1.72 118.68 120.29 1lm1 s LEU 1102Ca 0.36 0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 53.98 1lm1 s LEU 1102Cb -0.21 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 1lm1 s LEU 1102CO 0.23 0.12 0.09 -0.13 0.23 0.00 0.00 176.35 176.89 1lm1 s ARG 1103N 0.34 3.10 0.02 1.70 0.52 0.10 -0.55 118.95 124.18 1lm1 s ARG 1103Ca 0.17 -0.47 0.08 0.00 -0.52 0.00 0.00 55.73 54.98 1lm1 s ARG 1103Cb -0.13 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 1lm1 s ARG 1103CO 0.04 0.65 -0.24 0.00 0.02 0.00 0.00 175.30 175.77 1lm1 s ALA 1104N -1.22 2.04 0.12 2.13 0.00 -0.91 -0.14 121.76 123.79 1lm1 s ALA 1104Ca 0.24 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 1lm1 s ALA 1104Cb -0.12 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1lm1 s ALA 1104CO 0.15 0.48 0.18 0.16 0.00 0.00 0.00 175.76 176.73 1lm1 s ASP 1105N -1.00 0.16 0.00 0.00 1.47 -0.30 -0.62 116.67 116.38 1lm1 s ASP 1105Ca 0.10 -0.87 0.00 0.00 1.18 0.00 0.00 52.55 52.96 1lm1 s ASP 1105Cb -0.09 0.35 0.00 0.00 -0.34 0.00 0.00 42.92 42.84 1lm1 s ASP 1105CO 0.01 -0.78 0.00 0.61 0.68 0.00 0.00 175.17 175.69 1lm1 n GLY 1106N -0.11 0.29 2.70 2.12 0.00 -1.26 0.04 105.19 108.97 1lm1 n GLY 1106Ca -0.10 0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 1lm1 n GLY 1106CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm1 n GLY 1107N 0.00 -0.50 3.74 -0.02 0.00 -1.26 -4.88 105.19 102.26 1lm1 n GLY 1107Ca 0.00 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1lm1 n GLY 1107CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lm1 s LEU 1108N -6.09 4.54 0.00 0.99 1.43 -1.26 -4.92 118.68 113.37 1lm1 s LEU 1108Ca 0.13 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1lm1 s LEU 1108Cb -0.06 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1lm1 s LEU 1108CO 0.16 0.03 0.20 2.29 0.23 0.00 0.00 176.35 179.26 1lm1 n LYS 1109N 2.34 0.00 -3.77 1.70 2.85 -1.26 -4.73 118.16 115.29 1lm1 n LYS 1109Ca -0.00 -0.20 -0.13 0.00 -1.05 0.00 0.00 58.31 56.93 1lm1 n LYS 1109Cb 0.49 -0.21 -0.13 0.00 -0.65 0.00 0.00 35.03 34.53 1lm1 n LYS 1109CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1lm1 s THR 1110N 0.00 -0.02 0.31 0.58 2.01 -1.26 -5.00 115.64 112.25 1lm1 s THR 1110Ca 0.00 0.07 0.14 0.00 0.31 0.00 0.00 61.69 62.22 1lm1 s THR 1110Cb 0.00 -0.33 0.32 0.00 0.01 0.00 0.00 72.50 72.50 1lm1 s THR 1110CO 0.00 0.03 1.35 0.61 -0.69 0.00 0.00 174.62 175.92 1lm1 n GLY 1111N 3.57 -0.77 0.23 4.40 0.00 -1.26 -0.87 105.19 110.49 1lm1 n GLY 1111Ca -0.19 0.73 -0.14 0.00 0.00 0.00 0.00 46.02 46.42 1lm1 n GLY 1111CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1lm1 h TRP 1112N 0.00 -0.46 -0.83 1.61 7.01 -1.91 0.74 115.95 122.12 1lm1 h TRP 1112Ca 0.68 -0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.81 1lm1 h TRP 1112Cb 1.72 0.15 -0.14 0.00 -2.10 0.00 0.00 29.16 28.79 1lm1 h TRP 1112CO -0.11 -0.15 -0.35 -0.44 -2.79 0.00 0.00 178.44 174.60 1lm1 h ASP 1113N -0.76 -1.25 -0.21 2.65 3.32 -1.41 0.26 116.42 119.02 1lm1 h ASP 1113Ca -0.05 0.27 0.05 0.00 0.02 0.00 0.00 57.03 57.32 1lm1 h ASP 1113Cb 0.51 0.66 -0.05 0.00 0.22 0.00 0.00 39.33 40.68 1lm1 h ASP 1113CO 0.08 -0.29 -0.09 0.58 -1.72 0.00 0.00 179.24 177.80 1lm1 h VAL 1114N -0.06 0.71 -0.60 -1.35 2.07 -0.80 -1.02 116.25 115.20 1lm1 h VAL 1114Ca 0.31 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.85 1lm1 h VAL 1114Cb 0.59 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1lm1 h VAL 1114CO -0.86 0.00 0.39 0.58 0.02 0.00 0.00 177.57 177.70 1lm1 h VAL 1115N -0.06 1.12 -0.50 2.57 2.07 0.16 -1.97 116.25 119.64 1lm1 h VAL 1115Ca 0.11 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1lm1 h VAL 1115Cb 0.22 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1lm1 h VAL 1115CO -0.25 0.14 0.27 0.24 0.02 0.00 0.00 177.57 177.99 1lm1 h MET 1116N 0.78 0.51 -0.60 1.57 2.07 0.12 -1.36 114.93 118.03 1lm1 h MET 1116Ca 0.23 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.83 1lm1 h MET 1116Cb -0.05 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.53 1lm1 h MET 1116CO -0.07 0.34 0.39 0.00 1.07 0.00 0.00 176.91 178.64 1lm1 h ALA 1117N 1.25 1.55 -0.16 6.32 0.00 -0.85 -0.79 119.26 126.58 1lm1 h ALA 1117Ca 0.21 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1lm1 h ALA 1117Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1lm1 h ALA 1117CO -0.13 0.41 0.09 0.00 0.00 0.00 0.00 179.25 179.62 1lm1 h ALA 1118N 1.61 0.20 -0.96 0.00 0.00 -0.83 0.40 119.26 119.68 1lm1 h ALA 1118Ca 0.22 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.18 1lm1 h ALA 1118Cb -0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1lm1 h ALA 1118CO -0.05 -0.27 0.61 -0.07 0.00 0.00 0.00 179.25 179.48 1lm1 h LEU 1119N 0.16 0.90 -0.31 0.00 3.38 -1.04 1.49 115.31 119.89 1lm1 h LEU 1119Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1lm1 h LEU 1119Cb 0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1lm1 h LEU 1119CO -0.01 0.52 0.00 0.24 0.09 0.00 0.00 178.44 179.28 1lm1 h MET 1120N 0.99 0.00 0.00 1.13 2.86 -0.64 -2.01 114.93 117.26 1lm1 h MET 1120Ca 0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 1lm1 h MET 1120Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1lm1 h MET 1120CO -0.21 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.17 1lm1 n GLY 1121N 0.82 1.14 3.80 8.32 0.00 -0.69 -3.81 105.19 114.76 1lm1 n GLY 1121Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1lm1 n GLY 1121CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 s ALA 1122N -0.04 3.13 -0.02 4.61 0.00 0.13 -4.66 121.76 124.91 1lm1 s ALA 1122Ca 0.00 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.51 1lm1 s ALA 1122Cb 0.00 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 19.86 1lm1 s ALA 1122CO 0.00 0.12 0.12 0.39 0.00 0.00 0.00 175.76 176.39 1lm1 n GLU 1123N 0.04 0.38 -4.27 0.00 1.02 0.28 -3.93 120.64 114.16 1lm1 n GLU 1123Ca 0.04 -0.05 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 1lm1 n GLU 1123Cb 0.52 -1.11 -0.10 0.00 -0.02 0.00 0.00 31.44 30.72 1lm1 n GLU 1123CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1lm1 s GLU 1124N -2.33 1.11 -0.04 3.49 2.02 -0.72 -4.85 118.70 117.39 1lm1 s GLU 1124Ca -0.02 -1.41 0.01 0.00 0.02 0.00 0.00 54.97 53.57 1lm1 s GLU 1124Cb 0.03 -0.84 0.02 0.00 0.10 0.00 0.00 34.13 33.44 1lm1 s GLU 1124CO 0.22 0.14 -0.04 0.71 0.02 0.00 0.00 175.26 176.31 1lm1 s TYR 1125N -2.83 0.64 -0.02 1.61 1.51 -0.93 -2.14 117.35 115.20 1lm1 s TYR 1125Ca 0.15 -0.15 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 1lm1 s TYR 1125Cb -0.01 -0.58 -0.03 0.00 -0.11 0.00 0.00 41.96 41.24 1lm1 s TYR 1125CO 0.03 -0.15 -0.14 0.20 -1.11 0.00 0.00 175.55 174.38 1lm1 s GLY 1126N 0.78 1.58 -0.20 0.71 0.00 0.21 -1.73 107.32 108.67 1lm1 s GLY 1126Ca -0.10 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 43.58 1lm1 s GLY 1126CO -0.00 -0.87 -0.03 -1.36 0.00 0.00 0.00 173.10 170.85 1lm1 s PHE 1127N -0.83 1.81 0.00 1.90 0.40 0.34 -4.31 117.98 117.30 1lm1 s PHE 1127Ca 0.13 -1.31 0.00 0.00 -0.60 0.00 0.00 56.93 55.15 1lm1 s PHE 1127Cb -0.11 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.08 1lm1 s PHE 1127CO 0.03 -0.68 0.00 0.41 0.70 0.00 0.00 175.22 175.68 1lm1 n GLY 1128N 4.84 -0.06 0.28 4.36 0.00 -1.25 -4.08 105.19 109.27 1lm1 n GLY 1128Ca -0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.97 1lm1 n GLY 1128CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lm1 h SER 1129N 0.00 0.20 0.05 1.61 0.02 -1.91 -1.51 113.55 112.01 1lm1 h SER 1129Ca 0.00 -0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.72 1lm1 h SER 1129Cb 0.00 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.50 1lm1 h SER 1129CO 0.00 0.17 -0.84 0.16 -1.14 0.00 0.00 176.83 175.18 1lm1 h ILE 1130N 0.23 1.32 -0.78 3.27 -2.65 -1.87 -0.63 117.51 116.40 1lm1 h ILE 1130Ca 0.06 -2.13 0.04 0.00 1.03 0.00 0.00 64.86 63.85 1lm1 h ILE 1130Cb 0.02 2.15 -0.04 0.00 -2.05 0.00 0.00 36.82 36.90 1lm1 h ILE 1130CO -0.01 0.66 0.51 0.00 0.03 0.00 0.00 178.15 179.34 1lm1 h ALA 1131N 0.65 1.54 0.86 0.16 0.00 -1.52 0.23 119.26 121.18 1lm1 h ALA 1131Ca -0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1lm1 h ALA 1131Cb 1.46 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1lm1 h ALA 1131CO 0.16 0.38 -0.41 1.98 0.00 0.00 0.00 179.25 181.35 1lm1 h MET 1132N 0.94 -1.11 -0.17 0.00 -1.53 -1.23 -2.72 114.93 109.11 1lm1 h MET 1132Ca 0.31 0.08 0.02 0.00 -3.44 0.00 0.00 59.70 56.66 1lm1 h MET 1132Cb 0.06 0.25 -0.03 0.00 -0.55 0.00 0.00 31.60 31.33 1lm1 h MET 1132CO -0.09 -0.74 -0.16 0.82 0.14 0.00 0.00 176.91 176.88 1lm1 h ILE 1133N -1.26 0.00 -1.41 1.77 1.08 0.02 0.29 117.51 117.99 1lm1 h ILE 1133Ca -0.12 0.00 0.41 0.00 -0.39 0.00 0.00 64.86 64.76 1lm1 h ILE 1133Cb 0.89 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.59 1lm1 h ILE 1133CO 0.19 0.00 1.16 0.00 -0.69 0.00 0.00 178.15 178.82 1lm1 n ALA 1134N -2.89 1.35 0.92 1.87 0.00 0.69 0.38 120.51 122.83 1lm1 n ALA 1134Ca -0.01 0.47 0.10 0.00 0.00 0.00 0.00 53.44 54.00 1lm1 n ALA 1134Cb 0.09 -0.81 0.31 0.00 0.00 0.00 0.00 19.45 19.04 1lm1 n ALA 1134CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1lm1 n GLU 1135N -3.40 1.96 0.00 0.00 1.02 0.99 -4.62 120.64 116.59 1lm1 n GLU 1135Ca 0.32 -1.45 0.00 0.00 -0.02 0.00 0.00 57.16 56.00 1lm1 n GLU 1135Cb 1.59 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 31.59 1lm1 n GLU 1135CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lm1 n GLY 1136N 1.23 1.24 3.65 0.62 0.00 1.22 -4.29 105.19 108.86 1lm1 n GLY 1136Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 1lm1 n GLY 1136CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 n ILE 1138N 2.14 0.00 -3.17 0.00 5.41 -1.26 -4.53 119.36 117.94 1lm1 n ILE 1138Ca 0.14 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.69 1lm1 n ILE 1138Cb 0.29 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.18 1lm1 n ILE 1138CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 1lm1 n MET 1139N 0.00 0.90 -0.27 0.38 2.81 -1.26 -4.84 117.12 114.83 1lm1 n MET 1139Ca 0.00 -3.28 0.08 0.00 -1.81 0.00 0.00 57.70 52.69 1lm1 n MET 1139Cb 0.00 -1.55 0.23 0.00 -0.71 0.00 0.00 33.22 31.19 1lm1 n MET 1139CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1lm1 h ALA 1140N 3.29 1.17 -4.08 3.04 0.00 -1.99 -3.44 119.26 117.25 1lm1 h ALA 1140Ca 0.08 0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1lm1 h ALA 1140Cb 0.95 0.15 0.10 0.00 0.00 0.00 0.00 17.79 18.98 1lm1 h ALA 1140CO 0.48 -0.29 -0.42 0.54 0.00 0.00 0.00 179.25 179.56 1lm1 n ARG 1141N -5.06 -2.23 -0.86 0.00 1.74 -1.26 -4.96 116.66 104.03 1lm1 n ARG 1141Ca 0.17 0.44 0.01 0.00 -0.77 0.00 0.00 57.85 57.71 1lm1 n ARG 1141Cb 0.51 -3.98 0.01 0.00 -1.02 0.00 0.00 32.46 27.98 1lm1 n ARG 1141CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1lm1 n VAL 1142N -2.50 0.00 -0.20 1.55 0.31 -1.26 -4.80 118.33 111.43 1lm1 n VAL 1142Ca -0.09 -0.36 -0.07 0.00 -0.01 0.00 0.00 64.34 63.81 1lm1 n VAL 1142Cb 0.57 0.67 0.03 0.00 -0.91 0.00 0.00 33.84 34.20 1lm1 n VAL 1142CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lm1 n HIS 1144N -4.57 0.00 -0.04 0.00 1.44 -0.69 -3.34 115.22 108.02 1lm1 n HIS 1144Ca 0.03 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.73 1lm1 n HIS 1144Cb 0.11 -0.17 -0.14 0.00 0.12 0.00 0.00 29.99 29.90 1lm1 n HIS 1144CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 1lm1 n THR 1145N -1.17 0.98 -1.18 0.61 -1.04 0.00 -4.88 114.28 107.60 1lm1 n THR 1145Ca 0.03 -0.72 -0.06 0.00 -2.04 0.00 0.00 64.05 61.26 1lm1 n THR 1145Cb 0.03 -0.43 -0.03 0.00 -1.82 0.00 0.00 70.33 68.08 1lm1 n THR 1145CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1lm1 n ASN 1146N -2.67 -3.77 -1.07 8.00 5.15 -1.21 -4.96 115.26 114.73 1lm1 n ASN 1146Ca -0.18 0.15 0.10 0.00 -0.60 0.00 0.00 54.58 54.04 1lm1 n ASN 1146Cb 0.91 -1.81 0.24 0.00 -0.53 0.00 0.00 39.78 38.60 1lm1 n ASN 1146CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1lm1 n ASN 1147N 0.93 3.49 -4.58 1.20 3.02 -1.26 -4.62 115.26 113.44 1lm1 n ASN 1147Ca -0.06 -1.98 -0.59 0.00 -0.03 0.00 0.00 54.58 51.92 1lm1 n ASN 1147Cb 0.21 -0.36 -0.08 0.00 -0.61 0.00 0.00 39.78 38.94 1lm1 n ASN 1147CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lm1 n PRO 1149N 2.47 0.55 0.00 0.00 -0.04 -1.26 -3.83 135.00 132.89 1lm1 n PRO 1149Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1lm1 n PRO 1149Cb 0.09 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1lm1 n PRO 1149CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1lm1 n VAL 1150N -0.98 0.03 -0.34 0.52 3.14 -1.26 -4.92 118.33 114.52 1lm1 n VAL 1150Ca 0.13 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1lm1 n VAL 1150Cb 0.06 1.48 0.00 0.00 -1.06 0.00 0.00 33.84 34.32 1lm1 n VAL 1150CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1lm1 n GLY 1151N -0.01 0.82 0.03 7.55 0.00 -1.24 -3.68 105.19 108.65 1lm1 n GLY 1151Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1lm1 n GLY 1151CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1lm1 n VAL 1152N -2.31 0.54 -1.29 1.61 0.31 -1.26 -4.45 118.33 111.49 1lm1 n VAL 1152Ca 0.00 0.38 -0.33 0.00 -0.01 0.00 0.00 64.34 64.38 1lm1 n VAL 1152Cb 0.00 -1.83 0.08 0.00 -0.91 0.00 0.00 33.84 31.18 1lm1 n VAL 1152CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lm1 n ALA 1153N -2.95 6.22 -2.37 3.52 0.00 -1.26 0.27 120.51 123.95 1lm1 n ALA 1153Ca -0.04 -3.30 -0.19 0.00 0.00 0.00 0.00 53.44 49.91 1lm1 n ALA 1153Cb 0.14 -1.74 -0.10 0.00 0.00 0.00 0.00 19.45 17.75 1lm1 n ALA 1153CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1lm1 s THR 1154N -4.57 1.51 -0.62 0.00 2.01 -1.26 -4.45 115.64 108.26 1lm1 s THR 1154Ca 0.62 -2.13 0.20 0.00 0.31 0.00 0.00 61.69 60.69 1lm1 s THR 1154Cb 0.48 -2.26 -0.25 0.00 0.01 0.00 0.00 72.50 70.48 1lm1 s THR 1154CO -0.01 -0.43 0.70 0.00 -0.69 0.00 0.00 174.62 174.19 1lm1 n GLN 1155N -0.46 0.52 -1.69 4.92 1.13 -1.26 -3.47 117.38 117.08 1lm1 n GLN 1155Ca -0.06 -0.07 -0.42 0.00 -1.94 0.00 0.00 57.00 54.51 1lm1 n GLN 1155Cb 0.62 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 29.49 1lm1 n GLN 1155CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1lm1 n GLN 1156N -1.73 2.83 0.01 -1.09 6.02 -1.26 -4.86 117.38 117.30 1lm1 n GLN 1156Ca 0.01 1.03 -0.10 0.00 -0.01 0.00 0.00 57.00 57.94 1lm1 n GLN 1156Cb 0.39 -2.94 -0.03 0.00 1.02 0.00 0.00 30.24 28.67 1lm1 n GLN 1156CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1lm1 h GLU 1157N 8.93 -0.24 -0.73 -1.09 5.08 -1.98 0.11 114.58 124.65 1lm1 h GLU 1157Ca -0.47 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.05 1lm1 h GLU 1157Cb 1.22 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.39 1lm1 h GLU 1157CO 0.95 -0.16 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.50 1lm1 h ARG 1158N -0.25 -0.02 -0.18 2.33 2.43 -2.00 0.44 114.38 117.14 1lm1 h ARG 1158Ca 0.09 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.07 1lm1 h ARG 1158Cb 0.39 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1lm1 h ARG 1158CO -0.26 -0.01 -0.66 -0.07 -1.51 0.00 0.00 179.97 177.46 1lm1 h LEU 1159N -0.02 0.89 -0.50 3.80 3.38 -1.63 -3.00 115.31 118.23 1lm1 h LEU 1159Ca 0.34 -0.61 0.07 0.00 0.09 0.00 0.00 57.88 57.78 1lm1 h LEU 1159Cb 0.54 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1lm1 h LEU 1159CO -0.76 1.34 0.15 0.03 0.09 0.00 0.00 178.44 179.30 1lm1 h ARG 1160N 0.49 0.31 -0.10 1.13 3.08 0.88 0.14 114.38 120.30 1lm1 h ARG 1160Ca -0.03 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.03 1lm1 h ARG 1160Cb 1.29 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 1lm1 h ARG 1160CO 0.14 0.20 0.34 1.96 -1.07 0.00 0.00 179.97 181.54 1lm1 h GLN 1161N 0.32 0.00 -0.00 0.04 4.20 -0.84 0.43 115.11 119.26 1lm1 h GLN 1161Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1lm1 h GLN 1161Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1lm1 h GLN 1161CO -0.27 0.00 -0.06 0.54 -0.67 0.00 0.00 178.83 178.37 1lm1 n ARG 1162N -3.13 0.79 -1.89 1.46 5.12 0.49 -4.80 116.66 114.70 1lm1 n ARG 1162Ca 0.00 -0.22 -0.39 0.00 -1.93 0.00 0.00 57.85 55.31 1lm1 n ARG 1162Cb 0.42 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.20 1lm1 n ARG 1162CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1lm1 s PHE 1163N -2.36 1.51 0.74 -1.55 5.36 0.15 -4.70 117.98 117.13 1lm1 s PHE 1163Ca 0.33 0.95 -0.11 0.00 -0.96 0.00 0.00 56.93 57.13 1lm1 s PHE 1163Cb 0.20 -3.96 0.03 0.00 -0.34 0.00 0.00 43.02 38.96 1lm1 s PHE 1163CO 0.44 -2.58 1.08 0.15 -1.46 0.00 0.00 175.22 172.85 1lm1 s LYS 1164N 7.05 2.59 0.00 10.12 1.02 -1.26 -5.02 119.74 134.24 1lm1 s LYS 1164Ca 0.79 0.67 0.00 0.00 0.02 0.00 0.00 55.97 57.45 1lm1 s LYS 1164Cb -0.17 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1lm1 s LYS 1164CO 0.25 -1.27 0.00 0.41 -0.92 0.00 0.00 175.35 173.82 1lm1 n GLY 1165N -2.36 3.37 3.03 -3.33 0.00 -1.26 -4.72 105.19 99.91 1lm1 n GLY 1165Ca 0.07 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 1lm1 n GLY 1165CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1lm1 s VAL 1166N 0.00 0.55 0.29 1.61 -7.23 -1.26 -4.72 120.40 109.65 1lm1 s VAL 1166Ca 0.00 -0.68 0.02 0.00 -1.81 0.00 0.00 61.98 59.51 1lm1 s VAL 1166Cb 0.00 -0.54 0.33 0.00 0.56 0.00 0.00 36.38 36.73 1lm1 s VAL 1166CO 0.00 -0.11 1.63 -0.65 -0.31 0.00 0.00 175.10 175.66 1lm1 h PRO 1167N 5.24 0.15 -1.04 4.82 0.11 -1.80 0.64 132.00 140.12 1lm1 h PRO 1167Ca -0.32 -0.01 0.27 0.00 0.11 0.00 0.00 66.00 66.04 1lm1 h PRO 1167Cb 1.19 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.18 1lm1 h PRO 1167CO 0.45 0.10 0.67 0.78 -0.21 0.00 0.00 178.00 179.79 1lm1 h GLY 1168N 0.15 1.25 1.12 -0.55 0.00 -1.92 0.18 103.07 103.30 1lm1 h GLY 1168Ca 0.56 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 1lm1 h GLY 1168CO -0.71 -0.15 0.10 1.46 0.00 0.00 0.00 176.54 177.24 1lm1 h GLN 1169N 0.40 1.07 0.06 4.80 4.20 0.01 -0.58 115.11 125.07 1lm1 h GLN 1169Ca 0.60 -0.28 -0.29 0.00 0.06 0.00 0.00 58.65 58.74 1lm1 h GLN 1169Cb 1.51 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 29.14 1lm1 h GLN 1169CO -0.31 0.98 -1.51 -0.39 -0.67 0.00 0.00 178.83 176.93 1lm1 h VAL 1170N 1.00 1.14 -0.74 -0.54 -1.51 -0.80 -2.50 116.25 112.30 1lm1 h VAL 1170Ca 0.20 -2.86 0.17 0.00 -1.23 0.00 0.00 66.70 62.97 1lm1 h VAL 1170Cb 0.44 2.66 -0.12 0.00 -2.13 0.00 0.00 31.29 32.14 1lm1 h VAL 1170CO 0.01 0.75 0.07 0.58 -1.23 0.00 0.00 177.57 177.76 1lm1 h VAL 1171N 0.03 0.41 -0.35 7.19 2.07 -0.68 -0.62 116.25 124.31 1lm1 h VAL 1171Ca -0.22 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1lm1 h VAL 1171Cb 1.97 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1lm1 h VAL 1171CO 0.13 0.03 0.10 0.78 0.02 0.00 0.00 177.57 178.62 1lm1 h ASN 1172N 0.16 0.52 -0.88 0.57 4.21 -1.08 -2.92 115.58 116.16 1lm1 h ASN 1172Ca 0.41 -0.22 0.09 0.00 1.21 0.00 0.00 56.30 57.79 1lm1 h ASN 1172Cb 0.72 -0.14 -0.07 0.00 -1.12 0.00 0.00 38.32 37.71 1lm1 h ASN 1172CO -0.60 0.60 0.52 0.15 -1.29 0.00 0.00 177.43 176.82 1lm1 h PHE 1173N 0.41 0.96 -0.03 1.19 3.57 -0.67 -0.28 116.94 122.08 1lm1 h PHE 1173Ca 0.11 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.49 1lm1 h PHE 1173Cb 0.28 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1lm1 h PHE 1173CO 0.01 0.41 -0.65 0.74 -2.23 0.00 0.00 178.31 176.59 1lm1 h PHE 1174N 0.88 0.18 -0.45 0.41 -1.00 -1.26 -1.69 116.94 114.02 1lm1 h PHE 1174Ca 0.42 -0.08 -0.08 0.00 2.81 0.00 0.00 57.97 61.05 1lm1 h PHE 1174Cb 0.35 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.86 1lm1 h PHE 1174CO -0.04 0.75 -0.03 1.88 -1.61 0.00 0.00 178.31 179.26 1lm1 h TYR 1175N 0.10 0.80 -0.21 -0.55 0.99 -0.90 0.15 116.97 117.35 1lm1 h TYR 1175Ca -0.01 -0.12 0.05 0.00 2.00 0.00 0.00 58.73 60.65 1lm1 h TYR 1175Cb 1.17 -0.22 -0.05 0.00 1.00 0.00 0.00 36.73 38.63 1lm1 h TYR 1175CO 0.01 0.77 -0.08 0.74 -0.00 0.00 0.00 178.16 179.60 1lm1 h PHE 1176N 0.70 -0.19 -0.30 4.88 0.05 -0.93 0.21 116.94 121.35 1lm1 h PHE 1176Ca 0.13 0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.87 1lm1 h PHE 1176Cb 0.47 0.12 -0.02 0.00 2.00 0.00 0.00 35.95 38.53 1lm1 h PHE 1176CO 0.02 -0.13 -0.15 0.82 -0.18 0.00 0.00 178.31 178.69 1lm1 h ILE 1177N -0.05 1.24 0.24 -0.55 2.04 -0.60 -0.46 117.51 119.36 1lm1 h ILE 1177Ca 0.11 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1lm1 h ILE 1177Cb 0.21 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1lm1 h ILE 1177CO -0.25 0.36 -0.11 0.00 0.00 0.00 0.00 178.15 178.15 1lm1 h ALA 1178N 1.36 -0.32 -0.84 1.87 0.00 -0.18 -2.37 119.26 118.78 1lm1 h ALA 1178Ca 0.08 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.00 1lm1 h ALA 1178Cb 0.54 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.34 1lm1 h ALA 1178CO 0.03 -0.47 0.32 0.93 0.00 0.00 0.00 179.25 180.07 1lm1 h GLU 1179N -0.74 0.36 -0.54 0.00 4.39 -0.46 0.35 114.58 117.94 1lm1 h GLU 1179Ca -0.03 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1lm1 h GLU 1179Cb 0.50 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1lm1 h GLU 1179CO 0.05 0.24 0.23 1.49 -1.16 0.00 0.00 179.01 179.86 1lm1 h GLU 1180N 0.37 0.77 0.42 2.33 4.81 -1.01 -2.66 114.58 119.61 1lm1 h GLU 1180Ca 0.51 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 1lm1 h GLU 1180Cb 0.92 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1lm1 h GLU 1180CO -0.52 0.62 -0.20 0.28 -0.73 0.00 0.00 179.01 178.46 1lm1 h VAL 1181N 0.77 0.53 -0.98 0.32 2.07 0.09 -3.15 116.25 115.90 1lm1 h VAL 1181Ca 0.19 -0.45 0.29 0.00 0.82 0.00 0.00 66.70 67.55 1lm1 h VAL 1181Cb 0.12 0.72 -0.14 0.00 -1.52 0.00 0.00 31.29 30.47 1lm1 h VAL 1181CO -0.02 0.07 0.51 0.03 0.02 0.00 0.00 177.57 178.18 1lm1 h ARG 1182N -0.84 0.35 0.00 1.57 3.08 -0.39 0.32 114.38 118.47 1lm1 h ARG 1182Ca -0.06 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1lm1 h ARG 1182Cb 0.55 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1lm1 h ARG 1182CO 0.09 0.23 -0.37 0.66 -1.07 0.00 0.00 179.97 179.51 1lm1 h SER 1183N 0.36 0.00 -0.03 7.04 4.64 -1.52 -2.24 113.55 121.80 1lm1 h SER 1183Ca 0.68 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.82 1lm1 h SER 1183Cb 1.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1lm1 h SER 1183CO -0.59 0.37 -0.60 -0.07 -0.87 0.00 0.00 176.83 175.07 1lm1 h LEU 1184N 0.00 0.72 -2.28 5.97 3.38 -0.38 -2.15 115.31 120.57 1lm1 h LEU 1184Ca -0.00 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1lm1 h LEU 1184Cb 1.15 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1lm1 h LEU 1184CO 0.05 1.16 -0.04 -0.07 0.09 0.00 0.00 178.44 179.62 1lm1 h LEU 1185N 0.48 0.00 0.02 1.67 3.38 -0.63 -1.56 115.31 118.67 1lm1 h LEU 1185Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1lm1 h LEU 1185Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1lm1 h LEU 1185CO 0.12 0.04 -0.26 0.00 0.09 0.00 0.00 178.44 178.43 1lm1 h ALA 1186N 1.96 0.02 -0.67 1.53 0.00 -1.19 0.75 119.26 121.67 1lm1 h ALA 1186Ca -0.00 -0.61 0.06 0.00 0.00 0.00 0.00 54.91 54.36 1lm1 h ALA 1186Cb 0.21 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1lm1 h ALA 1186CO 0.00 0.14 0.44 1.25 0.00 0.00 0.00 179.25 181.08 1lm1 h HIS 1187N -0.90 0.69 0.02 0.00 -0.00 -0.98 -0.79 115.15 113.20 1lm1 h HIS 1187Ca -0.06 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.26 1lm1 h HIS 1187Cb 1.13 -0.23 0.01 0.00 -0.00 0.00 0.00 27.41 28.32 1lm1 h HIS 1187CO 0.25 0.38 -0.27 -0.07 -0.00 0.00 0.00 177.93 178.21 1lm1 h LEU 1188N 0.69 0.20 0.00 0.26 3.38 -1.36 -3.39 115.31 115.10 1lm1 h LEU 1188Ca 0.28 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1lm1 h LEU 1188Cb 0.24 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1lm1 h LEU 1188CO -0.09 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.08 1lm1 n GLY 1189N 1.26 1.19 3.86 0.83 0.00 0.24 -4.25 105.19 108.31 1lm1 n GLY 1189Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1lm1 n GLY 1189CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lm1 s TYR 1190N -2.00 3.37 0.26 1.61 1.51 0.34 -4.82 117.35 117.62 1lm1 s TYR 1190Ca 0.00 0.16 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1lm1 s TYR 1190Cb 0.00 -1.69 0.35 0.00 -0.11 0.00 0.00 41.96 40.51 1lm1 s TYR 1190CO 0.00 0.55 1.67 0.00 -1.11 0.00 0.00 175.55 176.66 1lm1 h ARG 1191N 3.07 0.44 -3.14 -0.62 3.08 -1.90 -3.39 114.38 111.91 1lm1 h ARG 1191Ca -0.46 -0.20 -0.15 0.00 0.07 0.00 0.00 59.98 59.24 1lm1 h ARG 1191Cb 1.17 -0.01 -0.24 0.00 0.08 0.00 0.00 29.97 30.97 1lm1 h ARG 1191CO 0.71 0.74 -0.40 0.45 -1.07 0.00 0.00 179.97 180.40 1lm1 s SER 1192N -6.85 -0.22 0.28 7.04 0.15 -1.26 -0.74 113.70 112.10 1lm1 s SER 1192Ca -0.06 0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.95 1lm1 s SER 1192Cb 0.13 0.45 0.57 0.00 -1.71 0.00 0.00 66.02 65.46 1lm1 s SER 1192CO 0.80 -0.19 1.82 0.25 1.20 0.00 0.00 173.24 177.12 1lm1 h LEU 1193N 5.19 0.88 -1.67 3.45 5.85 -1.98 1.24 115.31 128.27 1lm1 h LEU 1193Ca -0.27 0.06 0.38 0.00 0.84 0.00 0.00 57.88 58.88 1lm1 h LEU 1193Cb 1.19 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1lm1 h LEU 1193CO 0.36 0.45 1.12 -0.78 -0.34 0.00 0.00 178.44 179.24 1lm1 h ASP 1194N 0.94 0.00 0.60 1.25 -0.00 -1.99 0.39 116.42 117.60 1lm1 h ASP 1194Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.53 1lm1 h ASP 1194Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.87 1lm1 h ASP 1194CO -0.28 0.00 -0.13 0.47 -0.00 0.00 0.00 179.24 179.29 1lm1 n ASP 1195N -3.72 0.28 -0.01 2.28 8.00 0.43 -4.41 116.55 119.40 1lm1 n ASP 1195Ca 0.29 -0.15 0.04 0.00 0.71 0.00 0.00 54.79 55.67 1lm1 n ASP 1195Cb 1.52 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 42.39 1lm1 n ASP 1195CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1lm1 n ILE 1196N -1.25 0.04 -1.74 0.53 2.08 0.14 -4.88 119.36 114.27 1lm1 n ILE 1196Ca 0.11 -0.20 -0.42 0.00 0.56 0.00 0.00 62.75 62.79 1lm1 n ILE 1196Cb 0.30 0.23 -0.03 0.00 -0.75 0.00 0.00 39.64 39.39 1lm1 n ILE 1196CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1lm1 s ILE 1197N -2.56 2.25 -0.64 1.39 1.01 -1.22 0.17 121.20 121.61 1lm1 s ILE 1197Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1lm1 s ILE 1197Cb 0.05 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1lm1 s ILE 1197CO 0.35 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1lm1 n GLY 1198N 4.06 0.57 2.30 6.18 0.00 0.51 -4.85 105.19 113.95 1lm1 n GLY 1198Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1lm1 n GLY 1198CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lm1 n ARG 1199N 0.00 2.78 0.19 1.61 5.12 0.13 -4.53 116.66 121.96 1lm1 n ARG 1199Ca -0.06 -1.64 0.18 0.00 -1.93 0.00 0.00 57.85 54.39 1lm1 n ARG 1199Cb 0.54 -2.47 0.82 0.00 -1.16 0.00 0.00 32.46 30.20 1lm1 n ARG 1199CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1lm1 h THR 1200N 2.83 0.40 0.00 0.55 2.02 -1.82 0.06 112.91 116.95 1lm1 h THR 1200Ca 0.58 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.76 1lm1 h THR 1200Cb 0.57 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1lm1 h THR 1200CO 1.26 0.00 0.00 -2.24 0.37 0.00 0.00 175.52 174.91 1lm1 h ASP 1201N 0.00 0.00 0.54 4.18 2.03 -1.82 -1.41 116.42 119.93 1lm1 h ASP 1201Ca 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1lm1 h ASP 1201Cb 0.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 1lm1 h ASP 1201CO -0.00 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.39 1lm1 n LEU 1202N -2.36 0.00 -4.82 0.15 4.77 0.01 -4.78 117.00 109.96 1lm1 n LEU 1202Ca 0.00 0.33 -0.35 0.00 -0.03 0.00 0.00 56.01 55.96 1lm1 n LEU 1202Cb 0.14 -0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 1lm1 n LEU 1202CO 0.16 -0.06 -0.21 -0.76 -1.33 0.00 0.00 177.39 175.18 1lm1 s LEU 1203N -2.65 4.11 0.23 2.23 1.43 -0.53 0.16 118.68 123.66 1lm1 s LEU 1203Ca 0.21 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1lm1 s LEU 1203Cb 0.16 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1lm1 s LEU 1203CO 0.39 0.35 0.02 -1.59 0.23 0.00 0.00 176.35 175.75 1lm1 s LYS 1204N -1.27 1.33 0.17 1.70 -2.85 -1.08 -4.85 119.74 112.89 1lm1 s LYS 1204Ca 0.18 -1.68 -0.24 0.00 -1.00 0.00 0.00 55.97 53.22 1lm1 s LYS 1204Cb -0.12 -0.51 -0.08 0.00 -2.06 0.00 0.00 37.83 35.06 1lm1 s LYS 1204CO 0.08 -0.14 0.76 0.08 0.10 0.00 0.00 175.35 176.23 1lm1 s VAL 1205N -3.51 4.41 0.33 1.79 1.01 -1.26 -1.70 120.40 121.47 1lm1 s VAL 1205Ca 0.30 1.63 -0.29 0.00 0.00 0.00 0.00 61.98 63.62 1lm1 s VAL 1205Cb 0.06 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 1lm1 s VAL 1205CO 0.09 0.48 1.32 -0.13 0.00 0.00 0.00 175.10 176.86 1lm1 s ARG 1206N -1.27 4.34 0.23 2.72 0.52 0.58 -4.80 118.95 121.27 1lm1 s ARG 1206Ca 0.37 2.24 -0.01 0.00 -0.52 0.00 0.00 55.73 57.81 1lm1 s ARG 1206Cb -0.22 -3.07 0.23 0.00 0.52 0.00 0.00 34.95 32.41 1lm1 s ARG 1206CO 0.25 -0.21 1.59 0.77 0.02 0.00 0.00 175.30 177.71 1lm1 h SER 1207N 3.41 0.55 0.04 0.23 0.02 -1.95 -3.39 113.55 112.46 1lm1 h SER 1207Ca -0.49 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.21 1lm1 h SER 1207Cb 1.23 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1lm1 h SER 1207CO 0.66 0.91 -0.02 0.44 -1.14 0.00 0.00 176.83 177.68 1lm1 h ASP 1208N 0.42 -0.05 -0.92 3.07 3.32 -1.97 -3.47 116.42 116.83 1lm1 h ASP 1208Ca 0.03 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.37 1lm1 h ASP 1208Cb 0.93 0.01 0.05 0.00 0.22 0.00 0.00 39.33 40.55 1lm1 h ASP 1208CO 0.08 -0.01 -0.00 0.52 -1.72 0.00 0.00 179.24 178.11 1lm1 n VAL 1209N -2.28 0.20 -3.97 -1.35 0.31 -1.26 -5.03 118.33 104.94 1lm1 n VAL 1209Ca -0.01 -0.05 -0.11 0.00 -0.01 0.00 0.00 64.34 64.16 1lm1 n VAL 1209Cb 0.02 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.83 1lm1 n VAL 1209CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1lm1 s GLN 1210N -0.10 0.24 0.54 5.55 -0.44 -1.26 -5.07 119.66 119.12 1lm1 s GLN 1210Ca 0.81 -0.35 0.09 0.00 -2.50 0.00 0.00 55.36 53.40 1lm1 s GLN 1210Cb -1.13 -0.05 0.07 0.00 -1.64 0.00 0.00 33.01 30.26 1lm1 s GLN 1210CO 0.52 0.00 0.75 -0.51 0.50 0.00 0.00 175.29 176.55 1lm1 s LEU 1211N -0.77 3.24 0.11 3.68 1.43 -1.26 -5.02 118.68 120.09 1lm1 s LEU 1211Ca -0.07 -0.71 0.24 0.00 -1.03 0.00 0.00 54.13 52.56 1lm1 s LEU 1211Cb -0.05 -1.92 0.34 0.00 0.03 0.00 0.00 46.19 44.59 1lm1 s LEU 1211CO -0.00 -1.22 1.31 -1.20 0.23 0.00 0.00 176.35 175.46 1lm1 n SER 1212N -2.18 0.68 -0.02 2.29 7.64 -1.26 -4.46 113.62 116.32 1lm1 n SER 1212Ca 0.14 0.09 -0.01 0.00 1.01 0.00 0.00 58.87 60.10 1lm1 n SER 1212Cb 0.61 0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.97 1lm1 n SER 1212CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1lm1 n LYS 1213N -2.07 2.28 -3.94 1.43 5.02 -1.26 -5.05 118.16 114.56 1lm1 n LYS 1213Ca 0.03 -0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.22 1lm1 n LYS 1213Cb 0.43 -1.11 -0.08 0.00 -0.02 0.00 0.00 35.03 34.25 1lm1 n LYS 1213CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1lm1 s THR 1214N -2.17 0.16 0.05 -0.18 2.01 -1.26 -4.73 115.64 109.52 1lm1 s THR 1214Ca -0.02 -1.40 -0.27 0.00 0.31 0.00 0.00 61.69 60.31 1lm1 s THR 1214Cb 0.02 -1.44 -0.14 0.00 0.01 0.00 0.00 72.50 70.95 1lm1 s THR 1214CO 0.18 -0.74 1.42 1.56 -0.69 0.00 0.00 174.62 176.35 1lm1 h GLN 1215N 2.87 -0.86 0.00 4.92 4.20 -1.91 -3.37 115.11 120.95 1lm1 h GLN 1215Ca -0.34 0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.29 1lm1 h GLN 1215Cb 1.18 0.19 -0.03 0.00 0.30 0.00 0.00 27.48 29.13 1lm1 h GLN 1215CO 0.59 -0.57 -0.00 0.27 -0.67 0.00 0.00 178.83 178.44 1lm1 n ASN 1216N -4.69 -1.20 -3.99 1.46 2.04 -1.26 -4.57 115.26 103.05 1lm1 n ASN 1216Ca -0.11 -2.28 -0.17 0.00 -0.44 0.00 0.00 54.58 51.58 1lm1 n ASN 1216Cb 0.37 2.13 -0.14 0.00 -2.53 0.00 0.00 39.78 39.61 1lm1 n ASN 1216CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1lm1 s LEU 1217N 0.00 2.04 0.01 -4.53 1.02 -1.26 -4.76 118.68 111.20 1lm1 s LEU 1217Ca 0.18 -0.16 -0.30 0.00 0.02 0.00 0.00 54.13 53.86 1lm1 s LEU 1217Cb -0.02 -0.33 -0.05 0.00 0.02 0.00 0.00 46.19 45.81 1lm1 s LEU 1217CO 0.13 0.06 1.18 -0.89 0.02 0.00 0.00 176.35 176.84 1lm1 s THR 1218N -0.27 4.19 -0.14 5.49 2.01 0.04 -4.91 115.64 122.05 1lm1 s THR 1218Ca 0.02 1.56 0.18 0.00 0.31 0.00 0.00 61.69 63.76 1lm1 s THR 1218Cb -0.03 -4.00 0.32 0.00 0.01 0.00 0.00 72.50 68.80 1lm1 s THR 1218CO -0.00 0.08 1.18 0.18 -0.69 0.00 0.00 174.62 175.37 1lm1 n LEU 1219N 4.37 2.53 -0.33 4.42 4.77 -1.26 -4.34 117.00 127.15 1lm1 n LEU 1219Ca 0.09 -3.15 0.16 0.00 -0.03 0.00 0.00 56.01 53.08 1lm1 n LEU 1219Cb 0.47 -0.45 0.36 0.00 -2.33 0.00 0.00 43.42 41.47 1lm1 n LEU 1219CO 0.55 0.76 1.13 0.44 -1.33 0.00 0.00 177.39 178.95 1lm1 h ASP 1220N 0.24 0.60 0.37 -1.43 5.19 -1.91 -0.48 116.42 119.00 1lm1 h ASP 1220Ca 0.00 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1lm1 h ASP 1220Cb 1.05 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1lm1 h ASP 1220CO 0.02 0.09 0.00 0.00 -3.12 0.00 0.00 179.24 176.23 1lm1 n LEU 1222N -2.99 0.26 -0.02 0.00 4.77 -0.29 -4.67 117.00 114.06 1lm1 n LEU 1222Ca -0.01 -0.20 -0.17 0.00 -0.03 0.00 0.00 56.01 55.59 1lm1 n LEU 1222Cb 0.15 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 1lm1 n LEU 1222CO 0.22 0.06 -0.79 0.18 -1.33 0.00 0.00 177.39 175.73 1lm1 n LEU 1223N -1.70 2.02 -4.46 2.23 4.77 -0.63 -4.74 117.00 114.49 1lm1 n LEU 1223Ca -0.00 0.23 -0.44 0.00 -0.03 0.00 0.00 56.01 55.77 1lm1 n LEU 1223Cb 0.30 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.73 1lm1 n LEU 1223CO 0.28 0.71 1.19 0.20 -1.33 0.00 0.00 177.39 178.44 1lm1 s ASN 1224N -6.64 6.82 0.26 -1.43 0.01 -0.21 -4.58 114.94 109.17 1lm1 s ASN 1224Ca -0.18 -2.44 0.07 0.00 -0.71 0.00 0.00 52.86 49.60 1lm1 s ASN 1224Cb 0.07 -2.41 -0.05 0.00 0.41 0.00 0.00 41.25 39.27 1lm1 s ASN 1224CO 0.77 -0.94 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.57 1lm1 s LEU 1225N 2.30 2.50 -0.13 0.60 1.43 -1.26 -4.92 118.68 119.20 1lm1 s LEU 1225Ca 0.38 -1.13 -0.39 0.00 -1.03 0.00 0.00 54.13 51.95 1lm1 s LEU 1225Cb -0.04 -0.66 -0.16 0.00 0.03 0.00 0.00 46.19 45.36 1lm1 s LEU 1225CO -0.05 -0.28 1.55 -2.65 0.23 0.00 0.00 176.35 175.15 1lm1 n PRO 1226N -0.52 1.06 -1.66 1.29 -0.02 -1.26 -4.80 135.00 129.08 1lm1 n PRO 1226Ca -0.06 0.39 -0.49 0.00 -2.02 0.00 0.00 63.50 61.31 1lm1 n PRO 1226Cb 0.62 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 32.02 1lm1 n PRO 1226CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1lm1 n ASP 1227N 3.99 2.87 -0.81 2.55 -0.08 -1.26 -4.89 116.55 118.93 1lm1 n ASP 1227Ca 0.23 1.05 0.10 0.00 -1.51 0.00 0.00 54.79 54.67 1lm1 n ASP 1227Cb 0.15 -1.34 0.08 0.00 2.34 0.00 0.00 41.12 42.35 1lm1 n ASP 1227CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1lm1 n THR 1228N 3.92 0.00 -0.34 5.18 -1.04 -1.26 -4.65 114.28 116.10 1lm1 n THR 1228Ca 0.20 -0.49 0.02 0.00 -2.04 0.00 0.00 64.05 61.74 1lm1 n THR 1228Cb 0.26 1.42 0.08 0.00 -1.82 0.00 0.00 70.33 70.27 1lm1 n THR 1228CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1lm1 n LYS 1229N 1.10 -0.15 -0.05 -2.82 4.01 -1.26 -3.78 118.16 115.21 1lm1 n LYS 1229Ca 0.12 1.41 -0.07 0.00 -0.51 0.00 0.00 58.31 59.26 1lm1 n LYS 1229Cb 0.51 -2.10 -0.05 0.00 -0.51 0.00 0.00 35.03 32.89 1lm1 n LYS 1229CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1lm1 n GLN 1230N -5.41 0.25 -2.21 1.97 6.02 -1.26 -4.88 117.38 111.86 1lm1 n GLN 1230Ca 0.12 0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.76 1lm1 n GLN 1230Cb 0.41 -1.20 -0.03 0.00 1.02 0.00 0.00 30.24 30.44 1lm1 n GLN 1230CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1lm1 s ASN 1231N -4.99 5.82 -0.10 1.08 0.01 -1.25 -4.66 114.94 110.85 1lm1 s ASN 1231Ca -0.14 0.47 0.14 0.00 -0.71 0.00 0.00 52.86 52.62 1lm1 s ASN 1231Cb 0.04 -2.54 0.30 0.00 0.41 0.00 0.00 41.25 39.46 1lm1 s ASN 1231CO 0.23 -1.92 1.14 0.54 -1.51 0.00 0.00 177.10 175.58 1lm1 n ARG 1232N 8.80 0.82 0.10 -0.60 1.74 -1.26 -4.75 116.66 121.52 1lm1 n ARG 1232Ca 0.17 -2.34 -0.04 0.00 -0.77 0.00 0.00 57.85 54.86 1lm1 n ARG 1232Cb 0.50 -0.99 0.14 0.00 -1.02 0.00 0.00 32.46 31.09 1lm1 n ARG 1232CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1lm1 h GLN 1233N 0.52 0.17 0.00 5.56 4.20 -1.97 -2.78 115.11 120.81 1lm1 h GLN 1233Ca -0.05 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1lm1 h GLN 1233Cb 1.28 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1lm1 h GLN 1233CO 0.02 0.71 0.21 -2.67 -0.67 0.00 0.00 178.83 176.43 1lm1 n TRP 1234N -3.87 0.52 1.59 2.96 4.27 -1.26 -0.87 117.44 120.78 1lm1 n TRP 1234Ca -0.02 0.27 0.15 0.00 -3.89 0.00 0.00 57.50 54.01 1lm1 n TRP 1234Cb 0.61 -0.79 0.75 0.00 -1.36 0.00 0.00 31.31 30.51 1lm1 n TRP 1234CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 1lm1 n LEU 1235N -2.09 0.27 -4.28 5.67 7.94 -1.05 -3.99 117.00 119.48 1lm1 n LEU 1235Ca -0.01 0.05 -0.44 0.00 -1.11 0.00 0.00 56.01 54.50 1lm1 n LEU 1235Cb 0.23 -0.15 -0.06 0.00 0.53 0.00 0.00 43.42 43.98 1lm1 n LEU 1235CO 0.07 0.05 0.14 0.20 -1.11 0.00 0.00 177.39 176.73 1lm1 s ASN 1236N -2.33 6.11 0.21 1.96 0.01 -0.05 -5.08 114.94 115.76 1lm1 s ASN 1236Ca 0.35 -2.00 -0.01 0.00 -0.71 0.00 0.00 52.86 50.49 1lm1 s ASN 1236Cb 0.21 -2.14 -0.04 0.00 0.41 0.00 0.00 41.25 39.68 1lm1 s ASN 1236CO 0.43 -0.75 0.39 -1.00 -1.51 0.00 0.00 177.10 174.66 1lm1 s HIS 1237N 1.25 3.48 0.80 2.20 3.76 -1.26 -4.94 115.29 120.58 1lm1 s HIS 1237Ca 0.07 0.34 -0.12 0.00 -0.15 0.00 0.00 55.06 55.19 1lm1 s HIS 1237Cb -0.26 -1.85 0.08 0.00 1.11 0.00 0.00 32.58 31.66 1lm1 s HIS 1237CO -0.00 0.37 1.14 -1.83 -0.85 0.00 0.00 174.74 173.57 1lm1 s GLU 1238N -3.36 1.89 0.33 1.40 -1.05 -1.26 -4.90 118.70 111.75 1lm1 s GLU 1238Ca 0.38 1.45 0.01 0.00 -0.15 0.00 0.00 54.97 56.67 1lm1 s GLU 1238Cb -0.11 -1.83 0.57 0.00 -0.44 0.00 0.00 34.13 32.32 1lm1 s GLU 1238CO 0.29 -1.96 1.97 -1.00 0.95 0.00 0.00 175.26 175.51 1lm1 h PRO 1239N -1.04 0.93 -1.84 -4.83 0.13 -2.01 -3.45 132.00 119.89 1lm1 h PRO 1239Ca -0.45 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1lm1 h PRO 1239Cb 1.26 -0.21 -0.23 0.00 0.13 0.00 0.00 31.00 31.95 1lm1 h PRO 1239CO 0.48 0.62 0.21 0.08 -0.23 0.00 0.00 178.00 179.16 1lm1 s VAL 1240N -5.82 0.00 0.34 1.56 1.01 -1.26 -4.78 120.40 111.44 1lm1 s VAL 1240Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 1lm1 s VAL 1240Cb 0.18 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.47 1lm1 s VAL 1240CO 0.78 0.00 0.98 -1.00 0.00 0.00 0.00 175.10 175.86 1lm1 s HIS 1241N 0.82 3.59 0.04 5.22 3.76 -1.26 -5.04 115.29 122.42 1lm1 s HIS 1241Ca -0.03 1.75 -0.10 0.00 -0.15 0.00 0.00 55.06 56.53 1lm1 s HIS 1241Cb -0.05 -3.00 -0.05 0.00 1.11 0.00 0.00 32.58 30.59 1lm1 s HIS 1241CO -0.09 -0.04 0.36 0.45 -0.85 0.00 0.00 174.74 174.57 1lm1 s SER 1242N -1.54 6.63 0.00 1.40 0.15 -1.26 -4.97 113.70 114.10 1lm1 s SER 1242Ca 0.51 0.75 0.29 0.00 0.70 0.00 0.00 55.95 58.20 1lm1 s SER 1242Cb -0.20 -2.16 1.61 0.00 -1.71 0.00 0.00 66.02 63.55 1lm1 s SER 1242CO 0.26 0.23 2.03 0.59 1.20 0.00 0.00 173.24 177.55 1lm1 n ASN 1243N 1.19 0.00 -0.09 5.45 3.02 -1.26 -5.03 115.26 118.54 1lm1 n ASN 1243Ca -0.11 -0.60 0.01 0.00 -0.03 0.00 0.00 54.58 53.86 1lm1 n ASN 1243Cb 0.53 -0.11 -0.00 0.00 -0.61 0.00 0.00 39.78 39.58 1lm1 n ASN 1243CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lm1 n GLY 1244N 0.92 -1.99 2.92 7.41 0.00 -1.26 -4.84 105.19 108.35 1lm1 n GLY 1244Ca 0.18 -1.47 -0.53 0.00 0.00 0.00 0.00 46.02 44.20 1lm1 n GLY 1244CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1lm1 n PRO 1245N -2.62 0.00 -4.20 1.61 -0.02 -1.26 -4.98 135.00 123.54 1lm1 n PRO 1245Ca -0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.29 1lm1 n PRO 1245Cb 0.04 -1.19 -0.12 0.00 -0.02 0.00 0.00 33.50 32.22 1lm1 n PRO 1245CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1lm1 s VAL 1246N 2.63 1.10 0.28 -1.45 1.01 -1.26 -5.03 120.40 117.68 1lm1 s VAL 1246Ca 0.84 -1.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 1lm1 s VAL 1246Cb -1.19 -1.05 0.29 0.00 0.00 0.00 0.00 36.38 34.43 1lm1 s VAL 1246CO 0.63 -0.19 1.66 0.25 0.00 0.00 0.00 175.10 177.45 1lm1 h LEU 1247N 4.39 0.02 -1.26 3.92 5.85 -1.94 1.31 115.31 127.61 1lm1 h LEU 1247Ca -0.40 0.18 0.27 0.00 0.84 0.00 0.00 57.88 58.77 1lm1 h LEU 1247Cb 1.19 0.24 -0.10 0.00 0.37 0.00 0.00 40.66 42.35 1lm1 h LEU 1247CO 0.41 -0.11 0.65 0.44 -0.34 0.00 0.00 178.44 179.49 1lm1 h ASP 1248N 0.24 0.50 -0.33 1.25 5.19 -1.95 -0.65 116.42 120.68 1lm1 h ASP 1248Ca 0.51 0.10 0.03 0.00 -0.62 0.00 0.00 57.03 57.05 1lm1 h ASP 1248Cb 0.98 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.50 1lm1 h ASP 1248CO -0.61 0.08 0.22 0.44 -3.12 0.00 0.00 179.24 176.25 1lm1 h ASP 1249N 0.43 0.28 0.07 6.45 3.32 0.13 0.17 116.42 127.27 1lm1 h ASP 1249Ca 0.62 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.52 1lm1 h ASP 1249Cb 1.48 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1lm1 h ASP 1249CO -0.36 0.19 -0.69 0.44 -1.72 0.00 0.00 179.24 177.10 1lm1 h ASP 1250N 0.32 0.25 -0.88 6.45 3.32 -1.35 -3.27 116.42 121.25 1lm1 h ASP 1250Ca 0.14 -0.91 0.24 0.00 0.02 0.00 0.00 57.03 56.52 1lm1 h ASP 1250Cb 0.14 -0.08 -0.14 0.00 0.22 0.00 0.00 39.33 39.47 1lm1 h ASP 1250CO -0.03 1.31 0.24 0.40 -1.72 0.00 0.00 179.24 179.44 1lm1 h ILE 1251N -0.64 0.30 -0.18 0.35 1.08 0.27 0.75 117.51 119.45 1lm1 h ILE 1251Ca -0.14 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1lm1 h ILE 1251Cb 1.41 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 1lm1 h ILE 1251CO 0.05 0.04 0.00 0.18 -0.69 0.00 0.00 178.15 177.72 1lm1 n LEU 1252N -5.23 1.44 -0.10 1.44 4.77 0.45 -4.02 117.00 115.75 1lm1 n LEU 1252Ca 0.22 -0.73 -0.14 0.00 -0.03 0.00 0.00 56.01 55.33 1lm1 n LEU 1252Cb 0.70 -0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 1lm1 n LEU 1252CO 0.06 0.29 -1.18 0.00 -1.33 0.00 0.00 177.39 175.22 1lm1 n ALA 1253N 0.10 1.54 -1.00 -1.18 0.00 0.26 -4.62 120.51 115.61 1lm1 n ALA 1253Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1lm1 n ALA 1253Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1lm1 n ALA 1253CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1lm1 n ASP 1254N -3.08 0.00 -1.88 0.00 5.75 -1.23 -4.67 116.55 111.44 1lm1 n ASP 1254Ca -0.37 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.41 1lm1 n ASP 1254Cb 0.91 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 1lm1 n ASP 1254CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1lm1 n PRO 1255N 0.00 0.14 -0.10 0.11 -0.04 -1.26 -3.76 135.00 130.09 1lm1 n PRO 1255Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 1lm1 n PRO 1255Cb 0.00 -1.43 -0.09 0.00 -0.04 0.00 0.00 33.50 31.94 1lm1 n PRO 1255CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1lm1 n ASP 1256N 1.88 2.23 0.00 3.54 2.03 -1.26 -4.12 116.55 120.85 1lm1 n ASP 1256Ca 0.00 -0.03 0.01 0.00 0.52 0.00 0.00 54.79 55.30 1lm1 n ASP 1256Cb 0.07 -0.39 0.06 0.00 -0.72 0.00 0.00 41.12 40.15 1lm1 n ASP 1256CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1lm1 n ILE 1257N -3.29 0.10 -0.08 5.18 -5.35 -1.25 -0.88 119.36 113.80 1lm1 n ILE 1257Ca -0.37 0.03 -0.12 0.00 -0.27 0.00 0.00 62.75 62.01 1lm1 n ILE 1257Cb 0.86 -0.99 -0.07 0.00 -1.74 0.00 0.00 39.64 37.71 1lm1 n ILE 1257CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1lm1 h GLN 1258N 0.00 0.00 -0.97 6.28 1.08 -1.86 -2.76 115.11 116.88 1lm1 h GLN 1258Ca 0.00 0.00 0.27 0.00 -1.45 0.00 0.00 58.65 57.47 1lm1 h GLN 1258Cb 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 1lm1 h GLN 1258CO 0.00 0.51 0.68 1.05 -0.95 0.00 0.00 178.83 180.12 1lm1 h GLU 1259N -1.00 0.09 0.00 1.46 9.09 -1.16 0.53 114.58 123.59 1lm1 h GLU 1259Ca -0.15 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.26 1lm1 h GLU 1259Cb 0.83 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.91 1lm1 h GLU 1259CO -0.09 0.06 0.00 0.00 0.05 0.00 0.00 179.01 179.03 1lm1 n ALA 1260N -2.67 -0.02 -0.06 1.06 0.00 -0.49 -3.81 120.51 114.51 1lm1 n ALA 1260Ca 0.21 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.88 1lm1 n ALA 1260Cb 0.98 0.00 0.70 0.00 0.00 0.00 0.00 19.45 21.13 1lm1 n ALA 1260CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1lm1 h ILE 1261N 0.00 0.66 -2.59 0.00 2.04 -1.14 -2.87 117.51 113.62 1lm1 h ILE 1261Ca 0.00 0.00 -0.65 0.00 1.00 0.00 0.00 64.86 65.21 1lm1 h ILE 1261Cb 0.00 0.67 -0.15 0.00 -0.74 0.00 0.00 36.82 36.59 1lm1 h ILE 1261CO 0.00 0.00 0.59 0.20 0.00 0.00 0.00 178.15 178.94 1lm1 s ASN 1262N -5.99 6.27 0.55 1.72 0.01 0.18 -4.94 114.94 112.74 1lm1 s ASN 1262Ca -0.05 -1.24 0.26 0.00 -0.71 0.00 0.00 52.86 51.12 1lm1 s ASN 1262Cb 0.20 -2.41 1.44 0.00 0.41 0.00 0.00 41.25 40.89 1lm1 s ASN 1262CO 0.74 -1.35 2.01 -0.74 -1.51 0.00 0.00 177.10 176.25 1lm1 h HIS 1263N 9.40 0.00 -3.32 2.20 -0.00 -1.69 -3.25 115.15 118.49 1lm1 h HIS 1263Ca -0.19 0.00 -0.68 0.00 -0.00 0.00 0.00 60.37 59.50 1lm1 h HIS 1263Cb 1.06 0.00 -0.37 0.00 -0.00 0.00 0.00 27.41 28.10 1lm1 h HIS 1263CO 1.01 0.00 -0.27 -0.65 -0.00 0.00 0.00 177.93 178.01 1lm1 s GLN 1264N -4.91 2.91 -0.05 5.26 -0.21 -1.26 -2.49 119.66 118.91 1lm1 s GLN 1264Ca -0.05 -3.12 0.02 0.00 0.02 0.00 0.00 55.36 52.23 1lm1 s GLN 1264Cb 0.18 -3.77 0.01 0.00 1.00 0.00 0.00 33.01 30.44 1lm1 s GLN 1264CO 0.68 -1.24 -0.08 0.99 -2.12 0.00 0.00 175.29 173.51 1lm1 s THR 1265N -1.07 0.80 -0.04 -0.19 2.01 -1.23 -4.92 115.64 111.00 1lm1 s THR 1265Ca 0.24 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 1lm1 s THR 1265Cb -0.10 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 1lm1 s THR 1265CO -0.11 0.27 1.15 -0.89 -0.69 0.00 0.00 174.62 174.35 1lm1 s THR 1266N 0.66 4.37 0.04 -0.82 2.01 -1.25 -1.99 115.64 118.65 1lm1 s THR 1266Ca -0.11 1.68 0.04 0.00 0.31 0.00 0.00 61.69 63.61 1lm1 s THR 1266Cb -0.14 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 1lm1 s THR 1266CO 0.02 0.03 -0.11 0.00 -0.69 0.00 0.00 174.62 173.86 1lm1 s ALA 1267N 1.89 0.93 0.04 7.40 0.00 -0.98 -5.02 121.76 126.02 1lm1 s ALA 1267Ca 0.55 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.82 1lm1 s ALA 1267Cb -0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1lm1 s ALA 1267CO 0.23 0.14 -0.16 0.99 0.00 0.00 0.00 175.76 176.96 1lm1 s THR 1268N -0.91 1.30 -0.03 0.00 2.01 -1.26 -1.03 115.64 115.73 1lm1 s THR 1268Ca -0.01 -1.07 -0.11 0.00 0.31 0.00 0.00 61.69 60.81 1lm1 s THR 1268Cb -0.08 -1.16 0.02 0.00 0.01 0.00 0.00 72.50 71.29 1lm1 s THR 1268CO 0.01 0.07 0.24 -0.54 -0.69 0.00 0.00 174.62 173.71 1lm1 s LYS 1269N -1.15 0.50 0.07 4.92 -0.14 -0.95 -5.00 119.74 118.00 1lm1 s LYS 1269Ca 0.04 -0.11 0.08 0.00 -1.36 0.00 0.00 55.97 54.62 1lm1 s LYS 1269Cb -0.08 0.22 -0.03 0.00 -1.68 0.00 0.00 37.83 36.26 1lm1 s LYS 1269CO 0.01 -0.12 -0.21 0.99 -0.76 0.00 0.00 175.35 175.27 1lm1 s THR 1270N -0.93 1.67 0.00 2.17 2.01 -1.26 -1.09 115.64 118.21 1lm1 s THR 1270Ca -0.10 -1.37 -0.14 0.00 0.31 0.00 0.00 61.69 60.40 1lm1 s THR 1270Cb -0.05 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.99 1lm1 s THR 1270CO 0.02 0.07 0.29 -0.31 -0.69 0.00 0.00 174.62 174.00 1lm1 s TYR 1271N -0.98 -0.13 0.06 4.92 1.51 -0.82 -4.98 117.35 116.92 1lm1 s TYR 1271Ca 0.07 0.14 -0.26 0.00 -1.01 0.00 0.00 57.07 56.01 1lm1 s TYR 1271Cb -0.09 0.08 -0.05 0.00 -0.11 0.00 0.00 41.96 41.78 1lm1 s TYR 1271CO 0.03 -0.41 0.81 0.50 -1.11 0.00 0.00 175.55 175.37 1lm1 s ARG 1272N -1.67 4.54 -0.13 -0.62 6.06 -1.26 -1.51 118.95 124.37 1lm1 s ARG 1272Ca -0.11 1.16 -0.02 0.00 -2.50 0.00 0.00 55.73 54.26 1lm1 s ARG 1272Cb -0.04 -3.37 -0.02 0.00 0.06 0.00 0.00 34.95 31.57 1lm1 s ARG 1272CO 0.02 0.25 -0.07 -0.51 -2.50 0.00 0.00 175.30 172.49 1lm1 s LEU 1273N 0.01 3.08 0.31 -0.88 1.43 0.12 -4.85 118.68 117.90 1lm1 s LEU 1273Ca 0.41 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.43 1lm1 s LEU 1273Cb -0.21 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1lm1 s LEU 1273CO 0.25 0.22 0.13 0.54 0.23 0.00 0.00 176.35 177.71 1lm1 s VAL 1274N 0.07 3.43 -1.92 -1.59 0.11 -1.26 -3.36 120.40 115.88 1lm1 s VAL 1274Ca -0.02 -1.67 0.24 0.00 -2.93 0.00 0.00 61.98 57.60 1lm1 s VAL 1274Cb -0.14 -3.03 0.64 0.00 -1.53 0.00 0.00 36.38 32.32 1lm1 s VAL 1274CO 0.03 -0.26 1.79 -0.46 -3.33 0.00 0.00 175.10 172.87 1lm1 n ASN 1275N -1.11 0.00 0.14 3.54 0.23 -0.94 0.01 115.26 117.13 1lm1 n ASN 1275Ca -0.05 -0.65 0.12 0.00 -0.53 0.00 0.00 54.58 53.48 1lm1 n ASN 1275Cb 0.60 -0.04 0.49 0.00 -2.08 0.00 0.00 39.78 38.75 1lm1 n ASN 1275CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1lm1 h THR 1276N 0.00 0.00 -3.52 5.53 2.02 -1.87 -3.30 112.91 111.77 1lm1 h THR 1276Ca 0.00 -0.29 -0.56 0.00 0.77 0.00 0.00 66.41 66.32 1lm1 h THR 1276Cb 0.03 1.08 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 1lm1 h THR 1276CO 0.00 0.00 0.95 -1.81 0.37 0.00 0.00 175.52 175.03 1lm1 s ASP 1277N -4.42 6.63 0.06 4.18 1.01 0.10 -4.95 116.67 119.29 1lm1 s ASP 1277Ca 0.05 0.69 0.08 0.00 0.71 0.00 0.00 52.55 54.08 1lm1 s ASP 1277Cb 0.10 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 1lm1 s ASP 1277CO 0.43 -1.21 -0.21 -0.13 0.21 0.00 0.00 175.17 174.26 1lm1 s ARG 1278N 4.39 1.34 -1.51 8.23 0.52 -1.26 -1.57 118.95 129.09 1lm1 s ARG 1278Ca 0.51 -1.03 -0.13 0.00 -0.52 0.00 0.00 55.73 54.56 1lm1 s ARG 1278Cb -0.10 -1.52 0.08 0.00 0.52 0.00 0.00 34.95 33.93 1lm1 s ARG 1278CO 0.29 0.38 0.98 2.41 0.02 0.00 0.00 175.30 179.38 1lm1 n THR 1279N 1.60 -2.24 -2.52 0.02 -1.04 -0.06 -4.91 114.28 105.14 1lm1 n THR 1279Ca -0.18 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.39 1lm1 n THR 1279Cb 0.53 -2.97 -0.04 0.00 -1.82 0.00 0.00 70.33 66.02 1lm1 n THR 1279CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1lm1 s VAL 1280N -3.33 3.62 0.00 12.58 -7.23 -1.26 -3.14 120.40 121.64 1lm1 s VAL 1280Ca 0.62 1.60 0.00 0.00 -1.81 0.00 0.00 61.98 62.39 1lm1 s VAL 1280Cb -0.31 -4.02 0.00 0.00 0.56 0.00 0.00 36.38 32.62 1lm1 s VAL 1280CO 0.82 0.37 0.00 0.61 -0.31 0.00 0.00 175.10 176.59 1lm1 n GLY 1281N 1.36 3.05 0.27 2.32 0.00 -1.26 -1.50 105.19 109.42 1lm1 n GLY 1281Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1lm1 n GLY 1281CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1lm1 h THR 1282N 0.00 0.29 -0.56 2.61 2.02 -1.72 -1.49 112.91 114.06 1lm1 h THR 1282Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1lm1 h THR 1282Cb 0.00 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1lm1 h THR 1282CO 0.00 0.00 0.28 -0.09 0.37 0.00 0.00 175.52 176.08 1lm1 h ARG 1283N -0.01 0.80 -0.91 6.66 2.43 -1.79 0.87 114.38 122.44 1lm1 h ARG 1283Ca 0.33 -0.11 0.07 0.00 -0.81 0.00 0.00 59.98 59.45 1lm1 h ARG 1283Cb 0.51 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 1lm1 h ARG 1283CO -0.72 0.65 0.57 1.25 -1.51 0.00 0.00 179.97 180.22 1lm1 h LEU 1284N 0.76 0.90 -0.64 3.80 5.85 -1.64 0.18 115.31 124.53 1lm1 h LEU 1284Ca 0.19 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 1lm1 h LEU 1284Cb 0.10 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1lm1 h LEU 1284CO -0.03 0.57 0.05 -1.28 -0.34 0.00 0.00 178.44 177.41 1lm1 h SER 1285N 1.04 1.07 -0.75 1.25 0.87 -0.11 -0.26 113.55 116.66 1lm1 h SER 1285Ca 0.40 -0.29 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1lm1 h SER 1285Cb 0.19 -0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 1lm1 h SER 1285CO -0.18 1.09 0.49 1.23 -0.53 0.00 0.00 176.83 178.94 1lm1 h GLY 1286N 1.01 1.04 1.70 5.77 0.00 -0.53 -1.42 103.07 110.65 1lm1 h GLY 1286Ca 0.19 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 1lm1 h GLY 1286CO 0.02 0.32 -0.51 0.00 0.00 0.00 0.00 176.54 176.37 1lm1 h ALA 1287N 1.56 0.90 -0.15 3.60 0.00 0.71 0.13 119.26 126.01 1lm1 h ALA 1287Ca 0.30 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1lm1 h ALA 1287Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1lm1 h ALA 1287CO -0.08 0.67 -0.38 0.82 0.00 0.00 0.00 179.25 180.28 1lm1 h ILE 1288N 0.25 1.35 -0.49 0.00 2.04 -1.08 -3.31 117.51 116.29 1lm1 h ILE 1288Ca 0.01 -1.65 -0.13 0.00 1.00 0.00 0.00 64.86 64.09 1lm1 h ILE 1288Cb 0.99 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1lm1 h ILE 1288CO 0.08 0.50 -0.20 0.00 0.00 0.00 0.00 178.15 178.53 1lm1 h ALA 1289N 0.54 0.72 -0.34 1.87 0.00 -0.65 0.20 119.26 121.61 1lm1 h ALA 1289Ca -0.00 -0.39 0.10 0.00 0.00 0.00 0.00 54.91 54.62 1lm1 h ALA 1289Cb 0.99 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1lm1 h ALA 1289CO 0.08 0.67 0.28 -0.22 0.00 0.00 0.00 179.25 180.07 1lm1 h LYS 1290N 0.85 0.00 0.00 0.00 3.64 -0.86 1.03 116.57 121.23 1lm1 h LYS 1290Ca 0.11 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.24 1lm1 h LYS 1290Cb 0.78 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.55 1lm1 h LYS 1290CO 0.06 0.00 -1.95 1.63 -2.27 0.00 0.00 179.45 176.92 1lm1 n LYS 1291N -4.14 1.36 0.00 1.90 5.02 -0.87 -4.69 118.16 116.74 1lm1 n LYS 1291Ca 0.05 0.03 0.06 0.00 -2.02 0.00 0.00 58.31 56.43 1lm1 n LYS 1291Cb 0.45 -1.35 0.04 0.00 -0.02 0.00 0.00 35.03 34.15 1lm1 n LYS 1291CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1lm1 n TYR 1292N -2.66 0.00 -3.78 2.13 4.02 0.65 -5.07 117.16 112.46 1lm1 n TYR 1292Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.64 1lm1 n TYR 1292Cb 0.91 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.23 1lm1 n TYR 1292CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1lm1 n GLY 1293N 0.72 0.91 0.16 2.72 0.00 0.35 -2.58 105.19 107.47 1lm1 n GLY 1293Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1lm1 n GLY 1293CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1lm1 h ASN 1294N 3.07 0.00 0.00 1.61 4.21 -1.93 -3.36 115.58 119.18 1lm1 h ASN 1294Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1lm1 h ASN 1294Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1lm1 h ASN 1294CO 0.00 0.52 -0.39 0.59 -1.29 0.00 0.00 177.43 176.85 1lm1 n ASN 1295N -3.89 0.47 -0.15 5.81 3.02 -1.25 -4.33 115.26 114.94 1lm1 n ASN 1295Ca -0.01 -2.21 0.14 0.00 -0.03 0.00 0.00 54.58 52.47 1lm1 n ASN 1295Cb 0.53 -0.24 0.64 0.00 -0.61 0.00 0.00 39.78 40.10 1lm1 n ASN 1295CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lm1 n GLY 1296N -0.29 -0.81 3.21 7.41 0.00 -1.07 -4.81 105.19 108.84 1lm1 n GLY 1296Ca 0.03 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1lm1 n GLY 1296CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lm1 s PHE 1297N -2.34 3.14 -0.36 1.61 5.36 -1.26 -4.95 117.98 119.18 1lm1 s PHE 1297Ca 0.33 -1.56 0.07 0.00 -0.96 0.00 0.00 56.93 54.80 1lm1 s PHE 1297Cb 0.20 -2.10 0.58 0.00 -0.34 0.00 0.00 43.02 41.36 1lm1 s PHE 1297CO 0.44 -0.73 1.66 0.39 -1.46 0.00 0.00 175.22 175.52 1lm1 n GLU 1298N 4.69 2.04 -0.02 10.12 1.02 -1.26 -4.62 120.64 132.61 1lm1 n GLU 1298Ca -0.15 -3.12 0.00 0.00 -0.02 0.00 0.00 57.16 53.87 1lm1 n GLU 1298Cb 0.46 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1lm1 n GLU 1298CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lm1 n GLY 1299N -1.12 -0.66 3.15 0.62 0.00 -1.04 -4.68 105.19 101.46 1lm1 n GLY 1299Ca 0.44 -1.67 0.05 0.00 0.00 0.00 0.00 46.02 44.84 1lm1 n GLY 1299CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lm1 s ASN 1300N -1.00 -1.00 -0.25 1.61 2.47 -0.84 -4.54 114.94 111.40 1lm1 s ASN 1300Ca 0.00 0.16 -0.09 0.00 0.42 0.00 0.00 52.86 53.35 1lm1 s ASN 1300Cb 0.00 1.65 -0.04 0.00 -1.45 0.00 0.00 41.25 41.41 1lm1 s ASN 1300CO 0.00 -0.18 0.11 -0.63 -3.72 0.00 0.00 177.10 172.68 1lm1 s ILE 1301N 2.90 4.74 -0.29 -5.21 1.01 -0.80 -2.32 121.20 121.23 1lm1 s ILE 1301Ca 0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 1lm1 s ILE 1301Cb -0.06 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 1lm1 s ILE 1301CO -0.24 0.32 0.11 -0.89 0.00 0.00 0.00 174.94 174.25 1lm1 s THR 1302N 1.49 4.41 -0.23 2.92 2.01 -0.20 -0.52 115.64 125.53 1lm1 s THR 1302Ca 0.06 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 1lm1 s THR 1302Cb -0.15 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 1lm1 s THR 1302CO 0.06 0.16 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.38 1lm1 s LEU 1303N 1.60 3.09 -0.01 4.42 1.43 -0.18 -2.24 118.68 126.79 1lm1 s LEU 1303Ca 0.05 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1lm1 s LEU 1303Cb -0.16 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1lm1 s LEU 1303CO 0.05 -0.05 -0.06 0.20 0.23 0.00 0.00 176.35 176.71 1lm1 s ASN 1304N 1.48 4.66 0.06 2.29 0.01 -0.25 0.11 114.94 123.31 1lm1 s ASN 1304Ca 0.05 -0.10 0.02 0.00 -0.71 0.00 0.00 52.86 52.11 1lm1 s ASN 1304Cb -0.15 -1.12 -0.03 0.00 0.41 0.00 0.00 41.25 40.36 1lm1 s ASN 1304CO -0.02 0.30 -0.07 -0.36 -1.51 0.00 0.00 177.10 175.45 1lm1 s PHE 1305N -0.96 0.73 -0.06 2.20 0.40 0.34 -1.95 117.98 118.69 1lm1 s PHE 1305Ca 0.16 -0.72 -0.00 0.00 -0.60 0.00 0.00 56.93 55.77 1lm1 s PHE 1305Cb -0.11 -0.44 0.03 0.00 0.51 0.00 0.00 43.02 43.01 1lm1 s PHE 1305CO 0.06 -0.14 -0.02 -1.14 0.70 0.00 0.00 175.22 174.69 1lm1 s GLN 1306N -2.69 0.66 0.00 0.44 0.74 -0.57 -0.78 119.66 117.47 1lm1 s GLN 1306Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.43 1lm1 s GLN 1306Cb -0.02 -0.87 0.00 0.00 1.10 0.00 0.00 33.01 33.21 1lm1 s GLN 1306CO -0.03 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.92 1lm1 n GLY 1307N 4.63 0.42 3.67 2.59 0.00 -0.30 0.13 105.19 116.33 1lm1 n GLY 1307Ca -0.16 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.52 1lm1 n GLY 1307CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 s ALA 1308N -1.76 3.50 -0.15 4.61 0.00 -1.21 -2.45 121.76 124.29 1lm1 s ALA 1308Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 1lm1 s ALA 1308Cb 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1lm1 s ALA 1308CO 0.00 0.22 0.04 0.00 0.00 0.00 0.00 175.76 176.01 1lm1 s ALA 1309N 0.23 3.35 0.98 0.00 0.00 0.18 -2.22 121.76 124.27 1lm1 s ALA 1309Ca 0.05 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 1lm1 s ALA 1309Cb -0.12 -1.75 0.14 0.00 0.00 0.00 0.00 23.12 21.39 1lm1 s ALA 1309CO -0.00 0.33 0.84 0.41 0.00 0.00 0.00 175.76 177.34 1lm1 n GLY 1310N 3.04 -1.25 3.36 0.00 0.00 -0.61 -0.61 105.19 109.12 1lm1 n GLY 1310Ca -0.18 -1.71 -0.45 0.00 0.00 0.00 0.00 46.02 43.68 1lm1 n GLY 1310CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lm1 n GLN 1311N -2.77 0.04 -1.58 1.61 1.13 -1.26 -3.02 117.38 111.53 1lm1 n GLN 1311Ca 0.11 0.01 -0.18 0.00 -1.94 0.00 0.00 57.00 55.00 1lm1 n GLN 1311Cb 0.37 -1.03 -0.07 0.00 0.11 0.00 0.00 30.24 29.62 1lm1 n GLN 1311CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1lm1 n SER 1312N 2.12 -5.18 -4.69 1.08 7.64 0.25 -0.88 113.62 113.96 1lm1 n SER 1312Ca 0.14 0.42 -0.61 0.00 1.01 0.00 0.00 58.87 59.83 1lm1 n SER 1312Cb 0.33 -4.28 -0.08 0.00 -1.01 0.00 0.00 64.21 59.17 1lm1 n SER 1312CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1lm1 n PHE 1313N -2.58 1.71 -2.84 1.43 7.35 -1.17 -1.94 117.46 119.42 1lm1 n PHE 1313Ca -0.18 0.86 -0.14 0.00 -0.76 0.00 0.00 57.45 57.23 1lm1 n PHE 1313Cb 0.60 -2.31 0.03 0.00 0.35 0.00 0.00 39.48 38.15 1lm1 n PHE 1313CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1lm1 n GLY 1314N 3.63 -0.05 3.68 7.13 0.00 -0.56 -0.41 105.19 118.60 1lm1 n GLY 1314Ca 0.27 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1lm1 n GLY 1314CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 s ALA 1315N -3.00 1.07 -0.50 4.61 0.00 -0.82 -3.54 121.76 119.58 1lm1 s ALA 1315Ca 0.23 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 1lm1 s ALA 1315Cb -0.10 -3.14 0.06 0.00 0.00 0.00 0.00 23.12 19.94 1lm1 s ALA 1315CO 0.29 -2.74 0.16 1.19 0.00 0.00 0.00 175.76 174.65 1lm1 n PHE 1316N -4.13 -0.45 -2.07 0.00 3.01 0.71 -4.26 117.46 110.27 1lm1 n PHE 1316Ca 0.06 0.18 -0.36 0.00 1.01 0.00 0.00 57.45 58.34 1lm1 n PHE 1316Cb 0.57 -0.57 0.02 0.00 -0.01 0.00 0.00 39.48 39.49 1lm1 n PHE 1316CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1lm1 s ASN 1317N -1.53 5.47 0.44 4.37 2.47 -1.23 -4.60 114.94 120.33 1lm1 s ASN 1317Ca 0.22 2.40 0.04 0.00 0.42 0.00 0.00 52.86 55.94 1lm1 s ASN 1317Cb -0.13 -2.60 -0.04 0.00 -1.45 0.00 0.00 41.25 37.03 1lm1 s ASN 1317CO 0.27 -1.40 0.03 -0.76 -3.72 0.00 0.00 177.10 171.53 1lm1 s LEU 1318N -3.74 2.39 0.41 3.21 1.43 0.54 -0.86 118.68 122.06 1lm1 s LEU 1318Ca 0.73 -1.54 -0.24 0.00 -1.03 0.00 0.00 54.13 52.05 1lm1 s LEU 1318Cb -0.31 -0.63 -0.08 0.00 0.03 0.00 0.00 46.19 45.21 1lm1 s LEU 1318CO 0.35 -0.72 1.14 -1.81 0.23 0.00 0.00 176.35 175.53 1lm1 s ASP 1319N -3.73 6.49 -1.49 2.29 1.11 -1.22 -2.11 116.67 118.00 1lm1 s ASP 1319Ca 0.21 2.26 -0.08 0.00 0.18 0.00 0.00 52.55 55.11 1lm1 s ASP 1319Cb 0.05 -2.60 0.06 0.00 1.07 0.00 0.00 42.92 41.50 1lm1 s ASP 1319CO 0.11 -0.69 0.73 0.61 1.18 0.00 0.00 175.17 177.11 1lm1 n GLY 1320N 0.52 -0.37 2.78 0.21 0.00 -1.26 -4.78 105.19 102.28 1lm1 n GLY 1320Ca 0.05 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1lm1 n GLY 1320CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lm1 s MET 1321N -6.54 0.84 -0.02 1.61 0.00 -0.93 -1.90 119.30 112.36 1lm1 s MET 1321Ca 0.37 -0.43 0.06 0.00 0.00 0.00 0.00 55.69 55.69 1lm1 s MET 1321Cb -0.19 -2.03 -0.02 0.00 0.00 0.00 0.00 34.83 32.59 1lm1 s MET 1321CO 0.86 -0.58 -0.20 0.99 0.00 0.00 0.00 175.02 176.09 1lm1 s THR 1322N 1.80 2.55 -0.13 10.11 2.01 0.32 -2.21 115.64 130.10 1lm1 s THR 1322Ca -0.01 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 1lm1 s THR 1322Cb -0.17 -1.97 0.04 0.00 0.01 0.00 0.00 72.50 70.41 1lm1 s THR 1322CO -0.07 0.53 0.00 -0.76 -0.69 0.00 0.00 174.62 173.63 1lm1 s LEU 1323N -0.83 0.94 -0.29 4.42 1.43 -0.38 -1.01 118.68 122.97 1lm1 s LEU 1323Ca 0.11 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 1lm1 s LEU 1323Cb -0.10 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 1lm1 s LEU 1323CO 0.01 -0.22 0.18 -1.00 0.23 0.00 0.00 176.35 175.54 1lm1 s HIS 1324N 1.88 3.20 -0.33 0.29 3.76 0.31 -0.16 115.29 124.23 1lm1 s HIS 1324Ca 0.03 -0.05 -0.03 0.00 -0.15 0.00 0.00 55.06 54.86 1lm1 s HIS 1324Cb -0.14 -2.37 0.06 0.00 1.11 0.00 0.00 32.58 31.23 1lm1 s HIS 1324CO -0.07 -0.23 0.06 -1.17 -0.85 0.00 0.00 174.74 172.48 1lm1 s LEU 1325N 1.73 4.24 -0.53 0.89 2.96 0.62 0.13 118.68 128.71 1lm1 s LEU 1325Ca 0.07 -1.37 -0.24 0.00 -0.22 0.00 0.00 54.13 52.36 1lm1 s LEU 1325Cb -0.16 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.80 1lm1 s LEU 1325CO 0.10 -0.33 0.91 -1.10 -1.32 0.00 0.00 176.35 174.61 1lm1 s GLN 1326N 1.27 3.35 0.00 1.98 -0.21 0.04 -0.40 119.66 125.69 1lm1 s GLN 1326Ca -0.02 -0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.13 1lm1 s GLN 1326Cb -0.20 -4.03 0.00 0.00 1.00 0.00 0.00 33.01 29.78 1lm1 s GLN 1326CO -0.01 -1.41 0.00 0.41 -2.12 0.00 0.00 175.29 172.16 1lm1 n GLY 1327N 5.09 0.86 3.58 3.09 0.00 0.33 -1.15 105.19 116.99 1lm1 n GLY 1327Ca 0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1lm1 n GLY 1327CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1lm1 s GLU 1328N 0.00 0.57 0.46 1.61 -1.05 -1.03 -4.15 118.70 115.11 1lm1 s GLU 1328Ca 0.00 0.16 0.06 0.00 -0.15 0.00 0.00 54.97 55.04 1lm1 s GLU 1328Cb 0.00 0.27 -0.02 0.00 -0.44 0.00 0.00 34.13 33.93 1lm1 s GLU 1328CO 0.00 -0.17 0.22 0.00 0.95 0.00 0.00 175.26 176.25 1lm1 s ALA 1329N -1.05 3.87 0.00 -0.84 0.00 -0.62 -0.65 121.76 122.47 1lm1 s ALA 1329Ca -0.01 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1lm1 s ALA 1329Cb -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1lm1 s ALA 1329CO 0.01 -0.22 0.00 0.09 0.00 0.00 0.00 175.76 175.64 1lm1 n ASN 1330N -1.38 0.10 -4.69 0.00 3.02 0.22 -4.20 115.26 108.34 1lm1 n ASN 1330Ca -0.03 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.20 1lm1 n ASN 1330Cb 0.65 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.96 1lm1 n ASN 1330CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1lm1 s ASP 1331N -0.76 3.27 -1.45 6.41 1.01 -1.26 -2.77 116.67 121.12 1lm1 s ASP 1331Ca 0.00 2.26 0.00 0.00 0.71 0.00 0.00 52.55 55.52 1lm1 s ASP 1331Cb 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1lm1 s ASP 1331CO 0.00 -2.88 0.00 -1.22 0.21 0.00 0.00 175.17 171.28 1lm1 n TYR 1332N -3.80 -0.44 -1.74 4.23 0.53 -0.59 -0.58 117.16 114.78 1lm1 n TYR 1332Ca 0.12 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.59 1lm1 n TYR 1332Cb 0.51 -3.00 -0.01 0.00 -1.03 0.00 0.00 39.34 35.82 1lm1 n TYR 1332CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 1lm1 n VAL 1333N -3.42 1.72 -2.00 -0.72 0.31 -1.26 -1.69 118.33 111.27 1lm1 n VAL 1333Ca -0.17 -0.43 -0.18 0.00 -0.01 0.00 0.00 64.34 63.55 1lm1 n VAL 1333Cb 0.59 -1.81 -0.04 0.00 -0.91 0.00 0.00 33.84 31.67 1lm1 n VAL 1333CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lm1 n GLY 1334N 1.03 0.50 3.71 2.92 0.00 0.45 -0.89 105.19 112.91 1lm1 n GLY 1334Ca 0.05 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1lm1 n GLY 1334CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1lm1 n LYS 1335N -2.62 2.69 -1.25 1.61 4.81 -0.68 -1.20 118.16 121.52 1lm1 n LYS 1335Ca -0.20 0.97 -0.09 0.00 -0.87 0.00 0.00 58.31 58.12 1lm1 n LYS 1335Cb 0.63 -2.80 -0.04 0.00 0.02 0.00 0.00 35.03 32.84 1lm1 n LYS 1335CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lm1 n GLY 1336N 3.75 0.97 3.69 3.14 0.00 -1.26 -0.21 105.19 115.27 1lm1 n GLY 1336Ca 0.16 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 1lm1 n GLY 1336CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1lm1 n MET 1337N -1.79 2.32 -0.01 1.61 1.56 -0.34 -3.98 117.12 116.49 1lm1 n MET 1337Ca -0.09 0.83 0.04 0.00 -0.27 0.00 0.00 57.70 58.22 1lm1 n MET 1337Cb 0.40 -2.59 -0.09 0.00 2.15 0.00 0.00 33.22 33.10 1lm1 n MET 1337CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1lm1 n ASN 1338N 2.90 2.34 0.00 6.12 5.15 -0.04 0.70 115.26 132.44 1lm1 n ASN 1338Ca 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 1lm1 n ASN 1338Cb 0.32 1.42 0.00 0.00 -0.53 0.00 0.00 39.78 40.99 1lm1 n ASN 1338CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lm1 n GLY 1339N 1.91 2.93 3.79 8.20 0.00 -0.58 -2.86 105.19 118.58 1lm1 n GLY 1339Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1lm1 n GLY 1339CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm1 n GLY 1340N -0.87 -1.50 3.03 -0.02 0.00 -0.90 -0.34 105.19 104.61 1lm1 n GLY 1340Ca 0.00 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 1lm1 n GLY 1340CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lm1 s GLU 1341N 0.00 0.34 -0.16 1.61 2.02 -0.94 -1.09 118.70 120.48 1lm1 s GLU 1341Ca 0.00 -0.35 -0.03 0.00 0.02 0.00 0.00 54.97 54.61 1lm1 s GLU 1341Cb 0.00 0.14 0.05 0.00 0.10 0.00 0.00 34.13 34.42 1lm1 s GLU 1341CO 0.00 -0.07 0.06 0.42 0.02 0.00 0.00 175.26 175.68 1lm1 s ILE 1342N -1.08 0.21 -0.13 -1.63 1.01 -0.43 -1.25 121.20 117.89 1lm1 s ILE 1342Ca -0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 1lm1 s ILE 1342Cb -0.07 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 1lm1 s ILE 1342CO 0.00 -0.15 -0.09 -0.69 0.00 0.00 0.00 174.94 174.01 1lm1 s VAL 1343N 2.01 3.42 -0.05 2.92 1.01 0.77 0.13 120.40 130.60 1lm1 s VAL 1343Ca 0.01 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1lm1 s VAL 1343Cb -0.16 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1lm1 s VAL 1343CO -0.08 0.52 -0.05 -0.63 0.00 0.00 0.00 175.10 174.86 1lm1 s ILE 1344N 0.19 0.63 -0.01 2.22 1.01 0.19 -0.28 121.20 125.15 1lm1 s ILE 1344Ca -0.05 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.44 1lm1 s ILE 1344Cb -0.15 -0.64 -0.00 0.00 0.01 0.00 0.00 42.46 41.68 1lm1 s ILE 1344CO 0.04 0.25 -0.05 -0.69 0.00 0.00 0.00 174.94 174.49 1lm1 s VAL 1345N 0.93 0.42 1.05 2.92 1.01 0.47 -1.49 120.40 125.71 1lm1 s VAL 1345Ca -0.11 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 1lm1 s VAL 1345Cb -0.14 -0.37 0.10 0.00 0.00 0.00 0.00 36.38 35.97 1lm1 s VAL 1345CO 0.00 0.12 0.28 -2.65 0.00 0.00 0.00 175.10 172.86 1lm1 n PRO 1346N 3.01 -1.14 -2.58 2.72 -0.02 -1.26 0.12 135.00 135.86 1lm1 n PRO 1346Ca -0.14 -0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 60.62 1lm1 n PRO 1346Cb 0.58 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 1lm1 n PRO 1346CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1lm1 s HIS 1347N -2.32 3.54 0.63 6.00 2.46 -1.26 -3.94 115.29 120.41 1lm1 s HIS 1347Ca 0.58 1.51 0.28 0.00 0.47 0.00 0.00 55.06 57.90 1lm1 s HIS 1347Cb -0.17 -3.26 1.47 0.00 -0.13 0.00 0.00 32.58 30.49 1lm1 s HIS 1347CO 0.66 -0.60 1.85 -1.00 -2.47 0.00 0.00 174.74 173.19 1lm1 h PRO 1348N 6.83 0.00 0.00 2.88 0.13 -1.99 0.26 132.00 140.11 1lm1 h PRO 1348Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1lm1 h PRO 1348Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1lm1 h PRO 1348CO 0.78 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.59 1lm1 n GLN 1349N -3.20 0.45 -2.63 0.86 6.02 -1.26 -4.69 117.38 112.94 1lm1 n GLN 1349Ca 0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.61 1lm1 n GLN 1349Cb 0.54 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.26 1lm1 n GLN 1349CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lm1 s ALA 1350N -2.00 3.36 -0.81 -1.58 0.00 0.92 -3.88 121.76 117.77 1lm1 s ALA 1350Ca 0.21 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.91 1lm1 s ALA 1350Cb 0.10 -3.27 0.34 0.00 0.00 0.00 0.00 23.12 20.28 1lm1 s ALA 1350CO 0.16 0.02 1.49 -1.13 0.00 0.00 0.00 175.76 176.30 1lm1 n SER 1351N 1.65 6.19 -4.23 0.00 3.41 -1.26 -5.03 113.62 114.34 1lm1 n SER 1351Ca -0.01 -3.71 -0.13 0.00 -0.26 0.00 0.00 58.87 54.76 1lm1 n SER 1351Cb 0.46 -0.89 -0.10 0.00 -0.26 0.00 0.00 64.21 63.42 1lm1 n SER 1351CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1lm1 s PHE 1352N -3.95 1.20 -0.76 7.33 -0.12 -1.26 -4.85 117.98 115.56 1lm1 s PHE 1352Ca 0.45 -1.15 -0.27 0.00 -0.05 0.00 0.00 56.93 55.91 1lm1 s PHE 1352Cb 0.27 -0.67 0.03 0.00 -0.63 0.00 0.00 43.02 42.01 1lm1 s PHE 1352CO -0.17 -0.36 1.29 0.00 -0.05 0.00 0.00 175.22 175.92 1lm1 s ALA 1353N -3.83 2.76 0.15 1.99 0.00 -1.26 -4.93 121.76 116.63 1lm1 s ALA 1353Ca 0.29 -1.45 -0.29 0.00 0.00 0.00 0.00 51.96 50.51 1lm1 s ALA 1353Cb 0.07 -4.27 -0.06 0.00 0.00 0.00 0.00 23.12 18.86 1lm1 s ALA 1353CO 0.07 -3.30 1.42 -2.30 0.00 0.00 0.00 175.76 171.65 1lm1 n PRO 1354N 9.30 -0.40 -0.21 0.00 -0.02 -1.26 0.14 135.00 142.55 1lm1 n PRO 1354Ca 0.05 1.40 0.03 0.00 -2.02 0.00 0.00 63.50 62.96 1lm1 n PRO 1354Cb 0.49 -2.05 0.08 0.00 -0.02 0.00 0.00 33.50 32.00 1lm1 n PRO 1354CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1lm1 n GLU 1355N -5.16 -0.05 -0.09 -0.52 4.71 -1.26 -0.02 120.64 118.25 1lm1 n GLU 1355Ca 0.02 0.89 0.10 0.00 -0.01 0.00 0.00 57.16 58.16 1lm1 n GLU 1355Cb 0.24 -1.33 0.34 0.00 -1.01 0.00 0.00 31.44 29.69 1lm1 n GLU 1355CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1lm1 n ASP 1356N -4.93 1.67 -3.97 1.62 8.00 0.12 -4.46 116.55 114.60 1lm1 n ASP 1356Ca 0.09 -1.75 -0.24 0.00 0.71 0.00 0.00 54.79 53.61 1lm1 n ASP 1356Cb 0.28 -0.12 -0.17 0.00 -0.02 0.00 0.00 41.12 41.10 1lm1 n ASP 1356CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1lm1 s ASN 1357N -1.48 1.59 0.21 -2.24 0.01 0.97 -4.83 114.94 109.17 1lm1 s ASN 1357Ca 0.31 -0.25 -0.32 0.00 -0.71 0.00 0.00 52.86 51.89 1lm1 s ASN 1357Cb 0.17 -0.72 -0.12 0.00 0.41 0.00 0.00 41.25 40.98 1lm1 s ASN 1357CO 0.25 -0.01 1.68 0.52 -1.51 0.00 0.00 177.10 178.03 1lm1 n VAL 1358N 4.02 0.12 0.00 1.60 0.31 -0.53 -1.00 118.33 122.84 1lm1 n VAL 1358Ca -0.22 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1lm1 n VAL 1358Cb 0.51 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1lm1 n VAL 1358CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lm1 n ILE 1359N 3.67 0.00 -4.06 2.52 3.06 0.39 -4.72 119.36 120.22 1lm1 n ILE 1359Ca 0.15 -0.24 -0.09 0.00 -2.50 0.00 0.00 62.75 60.07 1lm1 n ILE 1359Cb 0.34 0.83 -0.11 0.00 0.54 0.00 0.00 39.64 41.25 1lm1 n ILE 1359CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1lm1 s ILE 1360N -0.79 0.29 0.00 9.51 1.01 -1.07 -1.59 121.20 128.56 1lm1 s ILE 1360Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.26 1lm1 s ILE 1360Cb 0.00 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.53 1lm1 s ILE 1360CO 0.00 -0.71 0.00 0.61 0.00 0.00 0.00 174.94 174.84 1lm1 n GLY 1361N 0.84 1.34 3.70 6.18 0.00 -1.12 -2.48 105.19 113.65 1lm1 n GLY 1361Ca -0.19 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.47 1lm1 n GLY 1361CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lm1 n ASN 1362N -1.47 1.77 -2.88 1.61 3.02 -1.26 -2.18 115.26 113.87 1lm1 n ASN 1362Ca 0.00 0.82 -0.18 0.00 -0.03 0.00 0.00 54.58 55.20 1lm1 n ASN 1362Cb 0.00 -1.52 0.06 0.00 -0.61 0.00 0.00 39.78 37.72 1lm1 n ASN 1362CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1lm1 n THR 1363N -1.86 -2.68 -3.03 3.41 -1.04 -0.00 -1.54 114.28 107.53 1lm1 n THR 1363Ca 0.15 -0.06 -0.33 0.00 -2.04 0.00 0.00 64.05 61.77 1lm1 n THR 1363Cb 0.48 -3.58 -0.06 0.00 -1.82 0.00 0.00 70.33 65.34 1lm1 n THR 1363CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1lm1 n LEU 1365N -0.37 -1.38 0.00 0.00 4.77 -0.07 0.22 117.00 120.17 1lm1 n LEU 1365Ca 0.04 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1lm1 n LEU 1365Cb 0.53 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.03 1lm1 n LEU 1365CO 0.40 -0.90 0.17 0.00 -1.33 0.00 0.00 177.39 175.73 1lm1 n TYR 1366N -2.60 0.00 -1.73 -1.77 -0.00 -1.23 0.71 117.16 110.54 1lm1 n TYR 1366Ca -0.19 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.42 1lm1 n TYR 1366Cb 0.61 -0.16 0.05 0.00 -0.00 0.00 0.00 39.34 39.84 1lm1 n TYR 1366CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1lm1 n GLY 1367N -0.96 6.13 3.64 2.98 0.00 -1.26 -0.26 105.19 115.46 1lm1 n GLY 1367Ca 0.00 -2.51 -0.49 0.00 0.00 0.00 0.00 46.02 43.02 1lm1 n GLY 1367CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 n ALA 1368N -0.79 0.37 0.01 4.61 0.00 0.22 -4.50 120.51 120.43 1lm1 n ALA 1368Ca 0.53 0.46 0.07 0.00 0.00 0.00 0.00 53.44 54.50 1lm1 n ALA 1368Cb 0.80 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.89 1lm1 n ALA 1368CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1lm1 n THR 1369N 3.19 0.00 -2.94 0.00 5.66 0.22 0.39 114.28 120.80 1lm1 n THR 1369Ca 0.18 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1lm1 n THR 1369Cb 0.24 0.18 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1lm1 n THR 1369CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1lm1 n GLY 1370N 1.65 1.49 0.00 1.09 0.00 -0.29 -4.24 105.19 104.90 1lm1 n GLY 1370Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1lm1 n GLY 1370CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm1 n GLY 1371N 0.00 -0.96 2.76 -0.02 0.00 -1.20 -3.41 105.19 102.36 1lm1 n GLY 1371Ca 0.00 -1.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 1lm1 n GLY 1371CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lm1 s ASN 1372N -2.94 0.41 -0.10 1.61 0.02 -0.25 -1.35 114.94 112.34 1lm1 s ASN 1372Ca 0.00 0.09 0.00 0.00 -1.02 0.00 0.00 52.86 51.93 1lm1 s ASN 1372Cb 0.00 -0.05 -0.02 0.00 0.02 0.00 0.00 41.25 41.19 1lm1 s ASN 1372CO 0.00 -0.17 -0.10 -0.22 0.02 0.00 0.00 177.10 176.63 1lm1 s LEU 1373N 1.48 2.94 -0.11 0.60 2.96 -0.63 -1.32 118.68 124.59 1lm1 s LEU 1373Ca -0.04 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1lm1 s LEU 1373Cb -0.13 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.92 1lm1 s LEU 1373CO -0.03 0.25 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.76 1lm1 s TYR 1374N -0.14 2.20 -0.23 5.38 1.51 0.34 -0.92 117.35 125.48 1lm1 s TYR 1374Ca 0.00 -1.04 -0.04 0.00 -1.01 0.00 0.00 57.07 54.99 1lm1 s TYR 1374Cb -0.13 -1.54 0.09 0.00 -0.11 0.00 0.00 41.96 40.27 1lm1 s TYR 1374CO 0.03 -0.50 0.18 0.00 -1.11 0.00 0.00 175.55 174.15 1lm1 s ALA 1375N 0.87 0.05 -0.17 3.71 0.00 0.94 0.53 121.76 127.70 1lm1 s ALA 1375Ca -0.08 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.48 1lm1 s ALA 1375Cb -0.15 -1.35 -0.16 0.00 0.00 0.00 0.00 23.12 21.46 1lm1 s ALA 1375CO -0.01 -1.38 1.42 -1.71 0.00 0.00 0.00 175.76 174.08 1lm1 n ASN 1376N 5.29 1.12 0.00 0.00 5.15 -0.56 -3.16 115.26 123.11 1lm1 n ASN 1376Ca -0.05 -2.28 0.00 0.00 -0.60 0.00 0.00 54.58 51.64 1lm1 n ASN 1376Cb 0.47 -0.62 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 1lm1 n ASN 1376CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lm1 n GLY 1377N 4.39 -2.22 3.84 8.20 0.00 -1.26 -4.60 105.19 113.55 1lm1 n GLY 1377Ca 0.27 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 1lm1 n GLY 1377CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lm1 s ARG 1378N -1.92 3.38 0.26 1.61 0.52 -0.17 -0.30 118.95 122.34 1lm1 s ARG 1378Ca 0.00 0.91 0.02 0.00 -0.52 0.00 0.00 55.73 56.14 1lm1 s ARG 1378Cb 0.00 -2.05 -0.05 0.00 0.52 0.00 0.00 34.95 33.37 1lm1 s ARG 1378CO 0.00 -0.74 0.08 0.00 0.02 0.00 0.00 175.30 174.66 1lm1 s ALA 1379N -2.96 1.79 0.98 2.13 0.00 0.37 -0.46 121.76 123.60 1lm1 s ALA 1379Ca 0.58 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1lm1 s ALA 1379Cb -0.13 0.94 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1lm1 s ALA 1379CO 0.49 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1lm1 n GLY 1380N -0.48 0.69 3.93 0.00 0.00 -0.93 -2.69 105.19 105.72 1lm1 n GLY 1380Ca -0.01 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 1lm1 n GLY 1380CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lm1 s GLU 1381N 0.00 1.37 -0.51 1.61 0.41 -1.26 -0.41 118.70 119.90 1lm1 s GLU 1381Ca 0.00 -0.29 0.00 0.00 -0.41 0.00 0.00 54.97 54.27 1lm1 s GLU 1381Cb 0.00 -1.97 0.00 0.00 -1.78 0.00 0.00 34.13 30.38 1lm1 s GLU 1381CO 0.00 -1.90 0.00 0.54 -0.49 0.00 0.00 175.26 173.41 1lm1 n ARG 1382N -3.42 -2.55 -1.70 1.61 3.00 -0.61 -0.82 116.66 112.17 1lm1 n ARG 1382Ca 0.12 0.29 -0.57 0.00 -0.01 0.00 0.00 57.85 57.68 1lm1 n ARG 1382Cb 0.60 -4.82 -0.07 0.00 0.00 0.00 0.00 32.46 28.17 1lm1 n ARG 1382CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1lm1 n PHE 1383N -2.85 1.97 -3.08 -1.55 7.35 -1.26 -2.72 117.46 115.32 1lm1 n PHE 1383Ca -0.07 0.58 -0.14 0.00 -0.76 0.00 0.00 57.45 57.07 1lm1 n PHE 1383Cb 0.53 -2.43 0.06 0.00 0.35 0.00 0.00 39.48 38.00 1lm1 n PHE 1383CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1lm1 n ALA 1384N 4.95 -2.24 -0.03 3.13 0.00 0.61 -1.27 120.51 125.65 1lm1 n ALA 1384Ca 0.26 0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.67 1lm1 n ALA 1384Cb 0.13 -5.02 -0.10 0.00 0.00 0.00 0.00 19.45 14.46 1lm1 n ALA 1384CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1lm1 h VAL 1385N -1.02 1.48 -0.64 0.00 2.07 -1.60 -2.82 116.25 113.71 1lm1 h VAL 1385Ca -0.54 -1.64 -0.45 0.00 0.82 0.00 0.00 66.70 64.89 1lm1 h VAL 1385Cb 1.28 2.45 -0.40 0.00 -1.52 0.00 0.00 31.29 33.10 1lm1 h VAL 1385CO 0.40 0.45 -0.88 0.54 0.02 0.00 0.00 177.57 178.10 1lm1 n ARG 1386N -4.60 3.06 -1.65 1.57 5.12 0.64 0.78 116.66 121.59 1lm1 n ARG 1386Ca -0.09 -3.96 -0.51 0.00 -1.93 0.00 0.00 57.85 51.37 1lm1 n ARG 1386Cb 0.41 -2.07 -0.06 0.00 -1.16 0.00 0.00 32.46 29.59 1lm1 n ARG 1386CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1lm1 n ASN 1387N -0.69 2.96 0.00 0.55 5.15 -1.06 -4.20 115.26 117.97 1lm1 n ASN 1387Ca 0.34 0.89 -0.22 0.00 -0.60 0.00 0.00 54.58 54.99 1lm1 n ASN 1387Cb 0.92 -1.30 -0.14 0.00 -0.53 0.00 0.00 39.78 38.74 1lm1 n ASN 1387CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1lm1 h SER 1388N 9.39 0.39 0.00 1.20 0.02 -0.26 0.10 113.55 124.41 1lm1 h SER 1388Ca -0.44 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 59.60 1lm1 h SER 1388Cb 1.29 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1lm1 h SER 1388CO 0.96 1.81 0.00 0.52 -1.14 0.00 0.00 176.83 178.99 1lm1 n VAL 1389N -3.61 0.00 -1.48 2.27 0.31 -0.52 -2.73 118.33 112.57 1lm1 n VAL 1389Ca -0.31 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.68 1lm1 n VAL 1389Cb 1.01 0.38 0.08 0.00 -0.91 0.00 0.00 33.84 34.40 1lm1 n VAL 1389CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1lm1 s GLY 1390N 0.00 2.23 0.23 2.92 0.00 -1.24 -4.34 107.32 107.12 1lm1 s GLY 1390Ca 0.00 0.75 0.11 0.00 0.00 0.00 0.00 44.72 45.58 1lm1 s GLY 1390CO 0.00 1.14 -0.17 0.54 0.00 0.00 0.00 173.10 174.61 1lm1 s LYS 1391N -4.03 1.76 0.00 2.90 1.02 -0.45 -3.43 119.74 117.51 1lm1 s LYS 1391Ca 0.71 -1.54 -0.25 0.00 0.02 0.00 0.00 55.97 54.91 1lm1 s LYS 1391Cb -0.26 -1.92 0.06 0.00 -0.52 0.00 0.00 37.83 35.19 1lm1 s LYS 1391CO 0.45 0.38 0.57 0.00 -0.92 0.00 0.00 175.35 175.83 1lm1 s ALA 1392N -2.02 -1.47 -0.14 5.17 0.00 -0.61 -1.61 121.76 121.08 1lm1 s ALA 1392Ca 0.26 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.11 1lm1 s ALA 1392Cb -0.07 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.26 1lm1 s ALA 1392CO 0.14 -0.42 -0.17 0.08 0.00 0.00 0.00 175.76 175.38 1lm1 s VAL 1393N -1.79 1.73 0.32 0.00 1.01 -0.10 -1.97 120.40 119.60 1lm1 s VAL 1393Ca -0.09 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1lm1 s VAL 1393Cb -0.01 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1lm1 s VAL 1393CO 0.04 0.49 0.12 0.27 0.00 0.00 0.00 175.10 176.01 1lm1 s ILE 1394N 1.17 0.61 -0.30 2.22 -4.36 -0.93 -0.04 121.20 119.57 1lm1 s ILE 1394Ca -0.01 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 1lm1 s ILE 1394Cb -0.14 -2.56 0.16 0.00 1.25 0.00 0.00 42.46 41.17 1lm1 s ILE 1394CO -0.07 0.00 1.12 -0.62 0.24 0.00 0.00 174.94 175.61 1lm1 n GLU 1395N -0.64 2.76 0.00 0.37 1.02 0.59 -1.69 120.64 123.05 1lm1 n GLU 1395Ca -0.01 -1.88 0.00 0.00 -0.02 0.00 0.00 57.16 55.25 1lm1 n GLU 1395Cb 0.66 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1lm1 n GLU 1395CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lm1 n GLY 1396N -0.32 2.18 3.48 0.62 0.00 -1.20 -2.52 105.19 107.43 1lm1 n GLY 1396Ca 0.07 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 1lm1 n GLY 1396CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 s ALA 1397N -2.00 -1.64 0.65 4.61 0.00 -0.66 -0.48 121.76 122.24 1lm1 s ALA 1397Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1lm1 s ALA 1397Cb 0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1lm1 s ALA 1397CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1lm1 n GLY 1398N -0.35 0.94 3.76 0.00 0.00 0.45 -2.72 105.19 107.26 1lm1 n GLY 1398Ca -0.14 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 1lm1 n GLY 1398CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lm1 s ASP 1399N -1.00 3.12 -1.42 1.61 1.01 -1.26 -0.44 116.67 118.29 1lm1 s ASP 1399Ca 0.00 0.95 0.00 0.00 0.71 0.00 0.00 52.55 54.21 1lm1 s ASP 1399Cb 0.00 -1.50 0.00 0.00 1.01 0.00 0.00 42.92 42.43 1lm1 s ASP 1399CO 0.00 -2.80 0.00 1.41 0.21 0.00 0.00 175.17 173.99 1lm1 n HIS 1400N -3.92 -0.41 -1.67 4.23 8.25 -0.40 -1.57 115.22 119.73 1lm1 n HIS 1400Ca 0.07 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.08 1lm1 n HIS 1400Cb 0.59 -2.92 -0.03 0.00 1.12 0.00 0.00 29.99 28.74 1lm1 n HIS 1400CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lm1 n GLU 1403N -2.54 0.00 -1.83 0.00 2.13 -0.03 -1.68 120.64 116.68 1lm1 n GLU 1403Ca -0.15 0.42 -0.36 0.00 0.66 0.00 0.00 57.16 57.73 1lm1 n GLU 1403Cb 0.52 -0.74 0.04 0.00 0.27 0.00 0.00 31.44 31.53 1lm1 n GLU 1403CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1lm1 n TYR 1404N -1.45 3.09 -2.47 4.31 4.02 4.11 -3.17 117.16 125.61 1lm1 n TYR 1404Ca 0.00 -2.61 -0.32 0.00 -0.01 0.00 0.00 57.90 54.96 1lm1 n TYR 1404Cb 0.00 -1.07 -0.03 0.00 -0.02 0.00 0.00 39.34 38.21 1lm1 n TYR 1404CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1lm1 s MET 1405N -3.91 3.91 0.00 -0.72 1.75 -0.68 -4.45 119.30 115.19 1lm1 s MET 1405Ca 0.55 0.86 0.00 0.00 -1.25 0.00 0.00 55.69 55.85 1lm1 s MET 1405Cb 0.45 -2.18 0.00 0.00 2.84 0.00 0.00 34.83 35.94 1lm1 s MET 1405CO -0.25 -0.24 0.01 2.41 -0.65 0.00 0.00 175.02 176.30 1lm1 n THR 1406N -1.56 0.00 0.00 10.11 -1.04 0.36 0.12 114.28 122.26 1lm1 n THR 1406Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1lm1 n THR 1406Cb 0.54 1.62 0.00 0.00 -1.82 0.00 0.00 70.33 70.67 1lm1 n THR 1406CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lm1 n GLY 1407N 0.00 1.29 2.26 3.41 0.00 -0.97 -4.07 105.19 107.11 1lm1 n GLY 1407Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1lm1 n GLY 1407CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lm1 n GLY 1408N -0.94 -2.49 2.86 -0.02 0.00 -1.20 -3.85 105.19 99.56 1lm1 n GLY 1408Ca 0.00 -1.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.11 1lm1 n GLY 1408CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lm1 s VAL 1409N -0.47 0.41 -0.08 1.61 1.01 -1.22 -0.83 120.40 120.83 1lm1 s VAL 1409Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1lm1 s VAL 1409Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1lm1 s VAL 1409CO 0.00 0.20 -0.19 -0.63 0.00 0.00 0.00 175.10 174.48 1lm1 s ILE 1410N 1.01 1.69 -0.11 2.22 -1.09 -0.44 -1.58 121.20 122.90 1lm1 s ILE 1410Ca -0.10 -0.81 0.02 0.00 -2.23 0.00 0.00 60.65 57.53 1lm1 s ILE 1410Cb -0.14 -1.48 0.01 0.00 -1.58 0.00 0.00 42.46 39.27 1lm1 s ILE 1410CO -0.01 0.48 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.32 1lm1 s VAL 1411N 0.44 1.63 -0.10 2.92 1.01 -0.83 -0.96 120.40 124.50 1lm1 s VAL 1411Ca -0.16 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1lm1 s VAL 1411Cb -0.17 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1lm1 s VAL 1411CO 0.07 0.47 -0.13 -0.69 0.00 0.00 0.00 175.10 174.82 1lm1 s VAL 1412N 0.88 1.29 -0.66 2.92 1.01 -0.62 -2.18 120.40 123.04 1lm1 s VAL 1412Ca -0.08 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1lm1 s VAL 1412Cb -0.15 -1.21 0.38 0.00 0.00 0.00 0.00 36.38 35.40 1lm1 s VAL 1412CO -0.01 0.40 1.55 0.18 0.00 0.00 0.00 175.10 177.23 1lm1 n LEU 1413N 4.29 6.10 0.00 3.92 4.77 -0.68 -3.69 117.00 131.70 1lm1 n LEU 1413Ca -0.19 -5.08 0.00 0.00 -0.03 0.00 0.00 56.01 50.71 1lm1 n LEU 1413Cb 0.51 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1lm1 n LEU 1413CO 0.22 2.02 0.00 0.61 -1.33 0.00 0.00 177.39 178.92 1lm1 n GLY 1414N -0.47 1.32 3.23 -0.72 0.00 -1.05 -4.59 105.19 102.91 1lm1 n GLY 1414Ca 0.46 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 1lm1 n GLY 1414CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1lm1 n PRO 1415N -0.54 -2.69 -3.60 1.61 -0.02 -1.26 -4.48 135.00 124.03 1lm1 n PRO 1415Ca 0.00 -0.78 -0.15 0.00 -2.02 0.00 0.00 63.50 60.55 1lm1 n PRO 1415Cb 0.00 -1.78 -0.07 0.00 -0.02 0.00 0.00 33.50 31.63 1lm1 n PRO 1415CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1lm1 s VAL 1416N -2.20 0.00 0.00 -1.45 1.01 -1.25 -1.66 120.40 114.85 1lm1 s VAL 1416Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1lm1 s VAL 1416Cb -0.13 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1lm1 s VAL 1416CO 0.56 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1lm1 n GLY 1417N 2.11 -2.54 1.48 4.51 0.00 0.41 -4.93 105.19 106.23 1lm1 n GLY 1417Ca -0.15 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 1lm1 n GLY 1417CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1lm1 n ARG 1418N -1.40 -0.10 -4.19 1.61 1.85 -1.26 -4.42 116.66 108.75 1lm1 n ARG 1418Ca 0.00 -0.90 -0.36 0.00 -1.00 0.00 0.00 57.85 55.59 1lm1 n ARG 1418Cb 0.00 -0.39 -0.02 0.00 -1.05 0.00 0.00 32.46 30.99 1lm1 n ARG 1418CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1lm1 n ASN 1419N -3.16 -3.39 0.00 2.89 5.03 -0.05 -1.28 115.26 115.31 1lm1 n ASN 1419Ca 0.06 -0.99 0.05 0.00 0.87 0.00 0.00 54.58 54.58 1lm1 n ASN 1419Cb 0.22 -2.88 0.28 0.00 -1.02 0.00 0.00 39.78 36.39 1lm1 n ASN 1419CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1lm1 n VAL 1420N -4.42 0.53 -0.08 2.41 0.31 -1.18 -3.06 118.33 112.85 1lm1 n VAL 1420Ca 0.06 0.13 -0.10 0.00 -0.01 0.00 0.00 64.34 64.43 1lm1 n VAL 1420Cb 0.50 -0.96 -0.15 0.00 -0.91 0.00 0.00 33.84 32.31 1lm1 n VAL 1420CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lm1 n GLY 1421N -0.38 -0.99 3.25 2.92 0.00 -1.26 -4.59 105.19 104.15 1lm1 n GLY 1421Ca 0.06 -0.25 -0.53 0.00 0.00 0.00 0.00 46.02 45.30 1lm1 n GLY 1421CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lm1 n ALA 1422N -2.70 -3.28 -0.28 4.61 0.00 -1.17 -1.41 120.51 116.26 1lm1 n ALA 1422Ca -0.28 0.52 -0.00 0.00 0.00 0.00 0.00 53.44 53.68 1lm1 n ALA 1422Cb 1.13 -1.61 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 1lm1 n ALA 1422CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lm1 n GLY 1423N 1.52 0.01 3.73 0.00 0.00 -1.25 -4.15 105.19 105.05 1lm1 n GLY 1423Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1lm1 n GLY 1423CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lm1 s MET 1424N -0.57 4.39 0.00 1.61 0.00 -0.50 -3.99 119.30 120.24 1lm1 s MET 1424Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 55.69 57.71 1lm1 s MET 1424Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 34.83 31.61 1lm1 s MET 1424CO 0.00 -0.27 0.03 -2.37 0.00 0.00 0.00 175.02 172.41 1lm1 n THR 1425N 2.96 0.00 -3.78 10.11 5.66 0.32 -4.52 114.28 125.03 1lm1 n THR 1425Ca 0.07 -0.18 -0.04 0.00 -3.05 0.00 0.00 64.05 60.85 1lm1 n THR 1425Cb 0.43 1.10 -0.01 0.00 -1.55 0.00 0.00 70.33 70.30 1lm1 n THR 1425CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1lm1 s GLY 1426N -0.31 -0.17 0.00 1.09 0.00 -1.11 -4.79 107.32 102.04 1lm1 s GLY 1426Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1lm1 s GLY 1426CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.88 1lm1 n GLY 1427N -0.49 -2.12 3.72 0.20 0.00 -1.26 -2.30 105.19 102.94 1lm1 n GLY 1427Ca -0.06 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 1lm1 n GLY 1427CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lm1 s LEU 1428N -4.40 3.65 -0.02 0.99 1.43 -0.01 -4.45 118.68 115.87 1lm1 s LEU 1428Ca 0.00 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 1lm1 s LEU 1428Cb 0.00 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1lm1 s LEU 1428CO 0.00 0.29 -0.15 0.00 0.23 0.00 0.00 176.35 176.71 1lm1 s ALA 1429N -1.10 1.30 -0.05 4.21 0.00 -1.21 -1.33 121.76 123.58 1lm1 s ALA 1429Ca 0.20 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.56 1lm1 s ALA 1429Cb -0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 1lm1 s ALA 1429CO 0.11 0.29 -0.20 0.71 0.00 0.00 0.00 175.76 176.67 1lm1 s TYR 1430N -0.24 1.97 0.00 0.00 1.51 -0.13 -0.01 117.35 120.44 1lm1 s TYR 1430Ca 0.03 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 1lm1 s TYR 1430Cb -0.07 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.46 1lm1 s TYR 1430CO -0.00 -0.20 0.00 1.19 -1.11 0.00 0.00 175.55 175.43 1lm1 n PHE 1431N 3.13 0.00 0.00 2.71 3.01 -0.02 -1.59 117.46 124.70 1lm1 n PHE 1431Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1lm1 n PHE 1431Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 1lm1 n PHE 1431CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1lm1 n LEU 1432N 0.00 0.00 -3.75 4.37 7.94 -1.24 -4.15 117.00 120.16 1lm1 n LEU 1432Ca 0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 1lm1 n LEU 1432Cb 0.00 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 1lm1 n LEU 1432CO 0.00 0.00 -0.15 -1.81 -1.11 0.00 0.00 177.39 174.32 1lm1 s ASP 1433N 0.00 3.79 0.43 1.96 1.11 -1.26 -4.15 116.67 118.54 1lm1 s ASP 1433Ca 0.00 -3.35 0.22 0.00 0.18 0.00 0.00 52.55 49.60 1lm1 s ASP 1433Cb 0.00 -1.25 1.19 0.00 1.07 0.00 0.00 42.92 43.93 1lm1 s ASP 1433CO 0.00 -0.16 1.79 -0.33 1.18 0.00 0.00 175.17 177.65 1lm1 h GLU 1434N 5.83 0.30 0.00 8.23 5.08 -1.98 -1.98 114.58 130.08 1lm1 h GLU 1434Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1lm1 h GLU 1434Cb 0.84 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1lm1 h GLU 1434CO 0.59 0.20 0.16 0.28 -1.00 0.00 0.00 179.01 179.25 1lm1 n VAL 1435N -4.53 1.16 -0.91 3.13 0.31 -1.26 -4.80 118.33 111.42 1lm1 n VAL 1435Ca 0.24 0.60 0.00 0.00 -0.01 0.00 0.00 64.34 65.18 1lm1 n VAL 1435Cb 0.92 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 1lm1 n VAL 1435CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lm1 n GLY 1436N -1.33 0.54 0.70 2.92 0.00 -0.74 -4.90 105.19 102.38 1lm1 n GLY 1436Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1lm1 n GLY 1436CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lm1 n ASP 1437N -0.13 2.35 -0.28 1.61 5.75 -1.26 -4.64 116.55 119.95 1lm1 n ASP 1437Ca 0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 1lm1 n ASP 1437Cb 0.07 0.15 0.07 0.00 -1.03 0.00 0.00 41.12 40.38 1lm1 n ASP 1437CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1lm1 h LEU 1438N 3.44 -0.97 -1.67 -2.12 5.85 -1.91 -1.11 115.31 116.82 1lm1 h LEU 1438Ca 0.00 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1lm1 h LEU 1438Cb 0.82 0.57 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1lm1 h LEU 1438CO 0.00 -0.28 0.00 -0.65 -0.34 0.00 0.00 178.44 177.17 1lm1 h PRO 1439N -0.04 0.00 0.00 5.25 0.11 -1.96 0.58 132.00 135.93 1lm1 h PRO 1439Ca 0.35 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.41 1lm1 h PRO 1439Cb 0.59 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1lm1 h PRO 1439CO -0.83 0.00 -0.22 1.49 -0.21 0.00 0.00 178.00 178.23 1lm1 h GLU 1440N 0.00 0.00 0.02 1.05 4.81 -1.56 -3.32 114.58 115.59 1lm1 h GLU 1440Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 1lm1 h GLU 1440Cb 0.22 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 1lm1 h GLU 1440CO 0.00 0.22 -2.09 1.63 -0.73 0.00 0.00 179.01 178.04 1lm1 n LYS 1441N -3.57 0.67 -1.76 1.92 5.02 0.20 -4.89 118.16 115.76 1lm1 n LYS 1441Ca -0.01 0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 1lm1 n LYS 1441Cb 0.37 -1.65 -0.01 0.00 -0.02 0.00 0.00 35.03 33.72 1lm1 n LYS 1441CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1lm1 n ILE 1442N -3.03 1.71 -2.55 -0.18 5.41 -1.07 -0.87 119.36 118.78 1lm1 n ILE 1442Ca -0.29 -0.43 -0.43 0.00 1.00 0.00 0.00 62.75 62.61 1lm1 n ILE 1442Cb 1.08 -1.91 -0.02 0.00 -0.71 0.00 0.00 39.64 38.08 1lm1 n ILE 1442CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1lm1 s ASN 1443N 0.03 6.53 0.39 4.38 3.84 -1.26 -4.71 114.94 124.13 1lm1 s ASN 1443Ca 0.57 0.44 0.26 0.00 0.21 0.00 0.00 52.86 54.33 1lm1 s ASN 1443Cb -0.50 -2.55 0.67 0.00 -0.55 0.00 0.00 41.25 38.32 1lm1 s ASN 1443CO 0.59 -1.35 1.72 1.55 -2.79 0.00 0.00 177.10 176.82 1lm1 h PRO 1444N 9.60 0.00 -1.01 0.43 0.13 -1.92 -3.28 132.00 135.95 1lm1 h PRO 1444Ca -0.24 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.12 1lm1 h PRO 1444Cb 1.07 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.08 1lm1 h PRO 1444CO 1.14 0.00 0.60 0.93 -0.23 0.00 0.00 178.00 180.44 1lm1 h GLU 1445N 0.00 0.59 0.00 0.86 5.08 -1.98 -3.41 114.58 115.72 1lm1 h GLU 1445Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1lm1 h GLU 1445Cb 0.81 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1lm1 h GLU 1445CO 0.00 0.39 -0.30 1.51 -1.00 0.00 0.00 179.01 179.61 1lm1 n ILE 1446N -4.84 0.09 -0.49 3.13 3.06 -1.23 -5.10 119.36 113.96 1lm1 n ILE 1446Ca 0.26 0.03 -0.28 0.00 -2.50 0.00 0.00 62.75 60.26 1lm1 n ILE 1446Cb 0.72 -0.88 0.26 0.00 0.54 0.00 0.00 39.64 40.29 1lm1 n ILE 1446CO 0.00 0.00 0.00 -0.51 -2.50 0.00 0.00 176.55 173.54 1lm1 s ILE 1447N -2.00 1.96 0.02 9.51 2.07 -1.26 -4.46 121.20 127.04 1lm1 s ILE 1447Ca 0.00 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.26 1lm1 s ILE 1447Cb 0.00 -2.04 -0.01 0.00 0.13 0.00 0.00 42.46 40.54 1lm1 s ILE 1447CO 0.00 0.00 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.06 1lm1 s THR 1448N -2.41 0.59 -0.47 4.00 2.01 0.12 -4.87 115.64 114.60 1lm1 s THR 1448Ca 0.69 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 1lm1 s THR 1448Cb -0.25 -0.56 0.08 0.00 0.01 0.00 0.00 72.50 71.78 1lm1 s THR 1448CO 0.65 -0.05 0.40 -0.22 -0.69 0.00 0.00 174.62 174.71 1lm1 s LEU 1449N -0.74 5.65 0.22 4.42 2.96 -1.26 0.08 118.68 130.00 1lm1 s LEU 1449Ca -0.02 -1.38 0.02 0.00 -0.22 0.00 0.00 54.13 52.54 1lm1 s LEU 1449Cb -0.06 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1lm1 s LEU 1449CO 0.00 -0.66 0.36 -1.10 -1.32 0.00 0.00 176.35 173.64 1lm1 s GLN 1450N 1.62 3.46 0.24 1.98 -0.21 0.38 -4.91 119.66 122.23 1lm1 s GLN 1450Ca 0.04 -0.57 -0.06 0.00 0.02 0.00 0.00 55.36 54.79 1lm1 s GLN 1450Cb -0.25 -2.88 -0.06 0.00 1.00 0.00 0.00 33.01 30.83 1lm1 s GLN 1450CO 0.06 0.42 0.50 1.03 -2.12 0.00 0.00 175.29 175.18 1lm1 s ARG 1451N -3.65 3.66 0.18 2.91 0.52 -1.26 -0.33 118.95 120.98 1lm1 s ARG 1451Ca 0.36 0.02 -0.32 0.00 -0.52 0.00 0.00 55.73 55.27 1lm1 s ARG 1451Cb -0.10 -2.70 -0.11 0.00 0.52 0.00 0.00 34.95 32.55 1lm1 s ARG 1451CO 0.30 0.31 1.71 0.42 0.02 0.00 0.00 175.30 178.06 1lm1 s ILE 1452N -1.91 2.25 0.00 1.52 1.01 -1.26 -4.83 121.20 117.97 1lm1 s ILE 1452Ca 0.44 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1lm1 s ILE 1452Cb -0.11 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1lm1 s ILE 1452CO 0.27 0.01 0.00 0.41 0.00 0.00 0.00 174.94 175.62 1lm1 n THR 1453N 4.14 0.00 -2.78 2.92 -1.04 -1.26 -5.03 114.28 111.23 1lm1 n THR 1453Ca 0.16 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.75 1lm1 n THR 1453Cb 0.36 -0.77 -0.03 0.00 -1.82 0.00 0.00 70.33 68.07 1lm1 n THR 1453CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1lm1 s ALA 1454N -1.84 3.55 0.42 2.41 0.00 -1.26 -4.85 121.76 120.19 1lm1 s ALA 1454Ca 0.00 0.13 0.21 0.00 0.00 0.00 0.00 51.96 52.30 1lm1 s ALA 1454Cb 0.00 -3.37 1.17 0.00 0.00 0.00 0.00 23.12 20.92 1lm1 s ALA 1454CO 0.00 -0.78 1.79 0.66 0.00 0.00 0.00 175.76 177.43 1lm1 h SER 1455N 7.35 0.37 0.36 0.00 4.64 -1.87 0.34 113.55 124.75 1lm1 h SER 1455Ca -0.26 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 1lm1 h SER 1455Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1lm1 h SER 1455CO 0.88 0.08 -0.09 0.50 -0.87 0.00 0.00 176.83 177.33 1lm1 h LYS 1456N 0.34 0.00 -0.00 4.77 1.63 -1.88 0.19 116.57 121.61 1lm1 h LYS 1456Ca 0.57 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.37 1lm1 h LYS 1456Cb 1.56 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.19 1lm1 h LYS 1456CO -0.24 0.09 -0.00 0.78 -3.45 0.00 0.00 179.45 176.63 1lm1 h GLY 1457N 0.82 0.01 -0.04 5.01 0.00 -0.49 -1.11 103.07 107.26 1lm1 h GLY 1457Ca -0.00 -0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.40 1lm1 h GLY 1457CO 0.01 0.01 -0.27 -2.09 0.00 0.00 0.00 176.54 174.20 1lm1 h GLU 1458N -0.56 -0.22 -0.97 4.80 4.81 -1.21 0.43 114.58 121.66 1lm1 h GLU 1458Ca 0.00 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.43 1lm1 h GLU 1458Cb 0.57 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.91 1lm1 h GLU 1458CO 0.00 -0.14 0.61 0.93 -0.73 0.00 0.00 179.01 179.68 1lm1 h GLU 1459N -0.22 0.66 -0.06 1.92 4.39 -0.98 0.89 114.58 121.18 1lm1 h GLU 1459Ca 0.17 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1lm1 h GLU 1459Cb 0.50 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1lm1 h GLU 1459CO -0.49 0.43 -0.01 0.37 -1.16 0.00 0.00 179.01 178.16 1lm1 h GLN 1460N 0.68 0.11 0.17 2.33 4.15 0.48 -2.10 115.11 120.93 1lm1 h GLN 1460Ca 0.53 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.91 1lm1 h GLN 1460Cb 0.94 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.62 1lm1 h GLN 1460CO -0.30 0.43 -0.12 1.25 -1.93 0.00 0.00 178.83 178.17 1lm1 h LEU 1461N -0.23 -0.31 -0.86 -2.39 5.85 0.10 -2.85 115.31 114.62 1lm1 h LEU 1461Ca 0.01 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1lm1 h LEU 1461Cb 0.39 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 41.40 1lm1 h LEU 1461CO 0.01 -0.18 -0.45 1.17 -0.34 0.00 0.00 178.44 178.65 1lm1 n LYS 1462N -2.97 -0.32 -0.31 1.25 4.81 0.18 0.10 118.16 120.90 1lm1 n LYS 1462Ca -0.03 1.31 0.11 0.00 -0.87 0.00 0.00 58.31 58.82 1lm1 n LYS 1462Cb 0.12 -1.93 0.28 0.00 0.02 0.00 0.00 35.03 33.51 1lm1 n LYS 1462CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1lm1 h SER 1463N 0.00 0.55 0.01 3.14 0.87 -1.24 1.34 113.55 118.22 1lm1 h SER 1463Ca 0.19 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1lm1 h SER 1463Cb 0.41 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1lm1 h SER 1463CO -0.83 0.17 -0.00 -0.07 -0.53 0.00 0.00 176.83 175.57 1lm1 h LEU 1464N 0.60 -0.01 -1.07 2.23 4.07 -0.98 -0.78 115.31 119.36 1lm1 h LEU 1464Ca 0.52 -0.82 0.15 0.00 0.08 0.00 0.00 57.88 57.82 1lm1 h LEU 1464Cb 0.84 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.50 1lm1 h LEU 1464CO -0.41 0.85 0.62 0.40 -1.08 0.00 0.00 178.44 178.82 1lm1 h ILE 1465N -0.91 0.82 0.65 1.22 2.04 0.24 0.18 117.51 121.75 1lm1 h ILE 1465Ca -0.00 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1lm1 h ILE 1465Cb 0.83 -0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1lm1 h ILE 1465CO 0.00 0.15 -0.31 0.74 0.00 0.00 0.00 178.15 178.73 1lm1 h THR 1466N 0.84 0.26 -0.44 -0.27 2.02 0.16 -3.13 112.91 112.36 1lm1 h THR 1466Ca 0.52 -0.22 0.13 0.00 0.77 0.00 0.00 66.41 67.61 1lm1 h THR 1466Cb 0.70 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1lm1 h THR 1466CO -0.30 0.02 0.34 0.00 0.37 0.00 0.00 175.52 175.95 1lm1 h ALA 1467N -0.82 2.36 -0.18 6.16 0.00 0.82 0.45 119.26 128.06 1lm1 h ALA 1467Ca -0.09 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1lm1 h ALA 1467Cb 0.71 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1lm1 h ALA 1467CO 0.15 -0.56 0.02 1.25 0.00 0.00 0.00 179.25 180.11 1lm1 h HIS 1468N 0.00 0.04 -0.53 0.00 6.17 -1.05 0.24 115.15 120.02 1lm1 h HIS 1468Ca 0.21 0.01 -0.10 0.00 0.71 0.00 0.00 60.37 61.20 1lm1 h HIS 1468Cb 0.88 0.01 -0.02 0.00 2.52 0.00 0.00 27.41 30.80 1lm1 h HIS 1468CO 0.00 0.01 -0.07 0.28 0.71 0.00 0.00 177.93 178.86 1lm1 h VAL 1469N 0.09 1.26 -0.36 5.26 2.07 -0.12 0.48 116.25 124.93 1lm1 h VAL 1469Ca 0.08 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1lm1 h VAL 1469Cb 0.08 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1lm1 h VAL 1469CO -0.12 0.42 0.11 -0.33 0.02 0.00 0.00 177.57 177.68 1lm1 h GLU 1470N 0.87 0.52 0.00 1.57 4.39 -0.63 -2.01 114.58 119.28 1lm1 h GLU 1470Ca 0.15 -0.07 -0.19 0.00 0.34 0.00 0.00 59.36 59.58 1lm1 h GLU 1470Cb 0.60 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1lm1 h GLU 1470CO 0.04 0.46 -1.36 0.45 -1.16 0.00 0.00 179.01 177.44 1lm1 h HIS 1471N 0.51 0.00 0.00 4.33 3.86 -0.03 -3.45 115.15 120.37 1lm1 h HIS 1471Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1lm1 h HIS 1471Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1lm1 h HIS 1471CO 0.01 0.68 0.00 2.41 0.86 0.00 0.00 177.93 181.89 1lm1 n THR 1472N -2.98 0.00 0.00 2.45 -1.04 0.16 -4.99 114.28 107.88 1lm1 n THR 1472Ca -0.09 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1lm1 n THR 1472Cb 0.88 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1lm1 n THR 1472CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lm1 n GLY 1473N 3.52 1.16 0.00 3.41 0.00 -0.77 -5.00 105.19 107.51 1lm1 n GLY 1473Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1lm1 n GLY 1473CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lm1 n SER 1474N 0.00 0.00 -0.22 1.61 2.88 -1.26 -4.61 113.62 112.02 1lm1 n SER 1474Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1lm1 n SER 1474Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 1lm1 n SER 1474CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1lm1 h PRO 1475N 0.00 0.20 -0.14 -1.46 0.11 -1.99 0.99 132.00 129.71 1lm1 h PRO 1475Ca 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1lm1 h PRO 1475Cb 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1lm1 h PRO 1475CO 0.00 0.13 -0.05 -0.22 -0.21 0.00 0.00 178.00 177.65 1lm1 h LYS 1476N 0.20 0.21 -0.10 1.05 1.63 -1.98 -0.51 116.57 117.07 1lm1 h LYS 1476Ca 0.35 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.11 1lm1 h LYS 1476Cb 0.57 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1lm1 h LYS 1476CO -0.49 0.28 0.06 0.78 -3.45 0.00 0.00 179.45 176.63 1lm1 h GLY 1477N 0.56 0.16 1.34 5.01 0.00 -1.21 -3.12 103.07 105.81 1lm1 h GLY 1477Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 1lm1 h GLY 1477CO 0.01 0.07 -0.19 0.50 0.00 0.00 0.00 176.54 176.93 1lm1 h LYS 1478N 0.08 0.76 0.60 4.80 1.57 -0.38 -2.52 116.57 121.48 1lm1 h LYS 1478Ca 0.04 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1lm1 h LYS 1478Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1lm1 h LYS 1478CO -0.01 0.90 -0.41 0.00 -0.57 0.00 0.00 179.45 179.36 1lm1 h ALA 1479N 1.11 -1.01 -0.63 3.86 0.00 -1.14 -2.91 119.26 118.54 1lm1 h ALA 1479Ca 0.10 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1lm1 h ALA 1479Cb 0.69 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1lm1 h ALA 1479CO 0.05 -1.09 0.38 0.82 0.00 0.00 0.00 179.25 179.41 1lm1 h ILE 1480N -0.97 1.05 -0.93 0.00 2.04 -1.57 -2.41 117.51 114.72 1lm1 h ILE 1480Ca -0.07 -0.25 0.17 0.00 1.00 0.00 0.00 64.86 65.70 1lm1 h ILE 1480Cb 0.80 0.25 -0.10 0.00 -0.74 0.00 0.00 36.82 37.03 1lm1 h ILE 1480CO 0.04 0.13 0.52 -0.07 0.00 0.00 0.00 178.15 178.78 1lm1 h LEU 1481N 0.74 0.66 0.00 1.44 3.38 -1.33 0.56 115.31 120.76 1lm1 h LEU 1481Ca 0.26 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1lm1 h LEU 1481Cb 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1lm1 h LEU 1481CO -0.12 0.26 -0.44 0.00 0.09 0.00 0.00 178.44 178.22 1lm1 n ALA 1482N -2.38 2.98 -1.52 1.53 0.00 -1.11 -3.47 120.51 116.54 1lm1 n ALA 1482Ca 0.20 -0.24 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 1lm1 n ALA 1482Cb 0.49 -1.22 0.19 0.00 0.00 0.00 0.00 19.45 18.91 1lm1 n ALA 1482CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1lm1 n ASN 1483N -1.85 2.56 -0.40 0.00 3.02 -0.68 -4.87 115.26 113.04 1lm1 n ASN 1483Ca 0.05 -3.82 0.32 0.00 -0.03 0.00 0.00 54.58 51.10 1lm1 n ASN 1483Cb 0.39 -0.61 0.50 0.00 -0.61 0.00 0.00 39.78 39.45 1lm1 n ASN 1483CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1lm1 n TRP 1484N -1.10 0.00 1.04 3.10 -0.00 0.19 -0.71 117.44 119.95 1lm1 n TRP 1484Ca 0.32 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.94 1lm1 n TRP 1484Cb 0.97 -0.30 0.04 0.00 -0.00 0.00 0.00 31.31 32.03 1lm1 n TRP 1484CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1lm1 n SER 1485N -3.14 1.80 -0.04 5.87 7.64 -1.26 -4.14 113.62 120.35 1lm1 n SER 1485Ca 0.27 -1.38 -0.04 0.00 1.01 0.00 0.00 58.87 58.73 1lm1 n SER 1485Cb 1.32 0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 64.97 1lm1 n SER 1485CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1lm1 n ASP 1486N -0.23 0.85 -0.17 6.43 8.00 0.11 -4.43 116.55 127.10 1lm1 n ASP 1486Ca 0.09 0.14 0.08 0.00 0.71 0.00 0.00 54.79 55.81 1lm1 n ASP 1486Cb 0.44 -0.58 0.38 0.00 -0.02 0.00 0.00 41.12 41.34 1lm1 n ASP 1486CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1lm1 h TYR 1487N -0.42 0.72 -0.49 1.24 -1.99 -1.83 -2.29 116.97 111.91 1lm1 h TYR 1487Ca 0.00 0.02 0.14 0.00 2.00 0.00 0.00 58.73 60.89 1lm1 h TYR 1487Cb 0.42 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 1lm1 h TYR 1487CO -0.18 0.36 0.35 1.25 -0.00 0.00 0.00 178.16 179.94 1lm1 h LEU 1488N 0.69 0.00 0.00 3.88 6.46 -1.82 -3.41 115.31 121.12 1lm1 h LEU 1488Ca 0.32 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.95 1lm1 h LEU 1488Cb 0.35 0.00 0.07 0.00 -0.73 0.00 0.00 40.66 40.36 1lm1 h LEU 1488CO -0.11 0.00 -0.06 0.61 -0.62 0.00 0.00 178.44 178.26 1lm1 n GLY 1489N -1.63 -3.42 3.14 3.75 0.00 -0.86 -4.48 105.19 101.69 1lm1 n GLY 1489Ca 0.09 -1.12 -0.57 0.00 0.00 0.00 0.00 46.02 44.42 1lm1 n GLY 1489CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1lm1 n LYS 1490N -2.99 0.00 0.00 1.61 4.81 -1.26 -4.87 118.16 115.46 1lm1 n LYS 1490Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1lm1 n LYS 1490Cb 0.21 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 33.99 1lm1 n LYS 1490CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1lm1 n PHE 1491N 3.15 0.00 -2.04 5.64 7.35 -1.26 -4.72 117.46 125.58 1lm1 n PHE 1491Ca 0.25 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.61 1lm1 n PHE 1491Cb -0.04 0.00 0.01 0.00 0.35 0.00 0.00 39.48 39.81 1lm1 n PHE 1491CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1lm1 s TRP 1492N 0.00 2.88 -0.11 -5.13 0.52 -1.26 -4.38 118.94 111.47 1lm1 s TRP 1492Ca 0.00 1.53 0.03 0.00 0.02 0.00 0.00 56.10 57.68 1lm1 s TRP 1492Cb 0.00 -3.07 0.01 0.00 -1.15 0.00 0.00 33.47 29.26 1lm1 s TRP 1492CO 0.00 -1.25 -0.20 -1.14 0.02 0.00 0.00 176.95 174.37 1lm1 s GLN 1493N -3.95 2.69 -0.36 4.98 0.74 0.55 -0.84 119.66 123.47 1lm1 s GLN 1493Ca 0.65 -0.75 -0.17 0.00 0.05 0.00 0.00 55.36 55.15 1lm1 s GLN 1493Cb -0.18 -2.12 -0.00 0.00 1.10 0.00 0.00 33.01 31.81 1lm1 s GLN 1493CO 0.36 0.07 0.44 0.00 -0.55 0.00 0.00 175.29 175.61 1lm1 s ALA 1494N 0.61 3.47 -0.17 1.58 0.00 0.98 -0.47 121.76 127.77 1lm1 s ALA 1494Ca -0.14 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 50.62 1lm1 s ALA 1494Cb -0.17 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1lm1 s ALA 1494CO 0.04 -1.24 -0.09 0.08 0.00 0.00 0.00 175.76 174.56 1lm1 s VAL 1495N 2.21 3.25 0.36 0.00 1.01 0.11 -3.32 120.40 124.01 1lm1 s VAL 1495Ca 0.15 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 1lm1 s VAL 1495Cb -0.16 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.71 1lm1 s VAL 1495CO 0.13 0.48 1.07 -2.84 0.00 0.00 0.00 175.10 173.94 1lm1 s PRO 1496N 0.82 4.32 0.12 2.72 0.02 -1.26 0.11 135.00 141.86 1lm1 s PRO 1496Ca -0.03 1.61 -0.31 0.00 0.02 0.00 0.00 61.00 62.29 1lm1 s PRO 1496Cb -0.15 -2.76 -0.08 0.00 0.02 0.00 0.00 34.50 31.53 1lm1 s PRO 1496CO 0.01 -0.02 1.43 -1.25 -0.33 0.00 0.00 177.00 176.83 1lm1 s PRO 1497N -2.13 4.30 0.00 5.54 0.04 -1.26 0.59 135.00 142.07 1lm1 s PRO 1497Ca 0.53 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1lm1 s PRO 1497Cb -0.25 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1lm1 s PRO 1497CO 0.32 -0.48 0.00 0.45 0.04 0.00 0.00 177.00 177.34 1lm1 n SER 1498N 4.00 0.00 0.00 6.66 2.88 -1.26 -4.82 113.62 121.07 1lm1 n SER 1498Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1lm1 n SER 1498Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1lm1 n SER 1498CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1lm1 n GLU 1499N 0.00 2.34 -0.01 -1.46 -0.58 0.20 -4.79 120.64 116.33 1lm1 n GLU 1499Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1lm1 n GLU 1499Cb 0.00 -0.79 -0.00 0.00 -0.57 0.00 0.00 31.44 30.08 1lm1 n GLU 1499CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1lm1 n LYS 1500N -1.19 -0.01 -2.97 3.49 5.02 -1.19 -1.23 118.16 120.08 1lm1 n LYS 1500Ca 0.00 0.04 -0.36 0.00 -2.02 0.00 0.00 58.31 55.96 1lm1 n LYS 1500Cb 0.00 -0.05 -0.01 0.00 -0.02 0.00 0.00 35.03 34.94 1lm1 n LYS 1500CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1lm1 n ASP 1501N -4.03 5.84 -4.62 4.39 8.00 -1.26 -4.12 116.55 120.74 1lm1 n ASP 1501Ca 0.00 -3.55 -0.28 0.00 0.71 0.00 0.00 54.79 51.67 1lm1 n ASP 1501Cb 0.01 -0.99 -0.10 0.00 -0.02 0.00 0.00 41.12 40.01 1lm1 n ASP 1501CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1lm1 s SER 1502N -2.11 3.77 0.00 -2.24 1.04 -0.37 -5.00 113.70 108.79 1lm1 s SER 1502Ca 0.38 -1.43 0.08 0.00 0.48 0.00 0.00 55.95 55.47 1lm1 s SER 1502Cb 0.15 -0.19 0.48 0.00 0.10 0.00 0.00 66.02 66.56 1lm1 s SER 1502CO -0.03 -0.54 0.92 -2.65 0.98 0.00 0.00 173.24 171.92 1lm1 n PRO 1503N -0.99 0.47 -0.13 4.02 -0.02 -1.26 -2.45 135.00 134.64 1lm1 n PRO 1503Ca -0.07 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.42 1lm1 n PRO 1503Cb 0.67 -1.27 0.01 0.00 -0.02 0.00 0.00 33.50 32.89 1lm1 n PRO 1503CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1lm1 n GLU 1504N -0.77 0.59 0.00 -0.52 0.00 -1.26 -4.08 120.64 114.59 1lm1 n GLU 1504Ca 0.06 -0.94 0.00 0.00 0.00 0.00 0.00 57.16 56.28 1lm1 n GLU 1504Cb 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 31.44 30.81 1lm1 n GLU 1504CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1lm1 n ALA 1505N -0.19 0.79 -2.87 -1.84 0.00 -1.12 -4.21 120.51 111.07 1lm1 n ALA 1505Ca 0.01 -0.35 -0.15 0.00 0.00 0.00 0.00 53.44 52.95 1lm1 n ALA 1505Cb 0.52 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 1lm1 n ALA 1505CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1lm1 s ASN 1506N -0.08 0.46 0.00 0.00 -0.87 -1.02 -4.79 114.94 108.64 1lm1 s ASN 1506Ca 0.00 -0.07 0.00 0.00 -1.57 0.00 0.00 52.86 51.22 1lm1 s ASN 1506Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.16 1lm1 s ASN 1506CO 0.00 0.04 0.00 0.59 -2.57 0.00 0.00 177.10 175.16