#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1m n THR 2 N 0.00 0.00 -2.09 1.12 -1.04 -1.26 -4.71 114.28 106.30 1s1m n THR 2 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 1s1m n THR 2 Cb 0.00 -0.18 -0.02 0.00 -1.82 0.00 0.00 70.33 68.31 1s1m n THR 2 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1s1m s THR 3 N 2.02 2.66 -0.08 12.58 2.01 -1.26 -4.90 115.64 128.66 1s1m s THR 3 Ca 0.43 0.66 0.02 0.00 0.31 0.00 0.00 61.69 63.11 1s1m s THR 3 Cb -0.55 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 1s1m s THR 3 CO 0.25 0.15 -0.12 0.20 -0.69 0.00 0.00 174.62 174.41 1s1m s ASN 4 N -0.49 4.17 -0.09 3.53 0.01 -0.10 -4.87 114.94 117.10 1s1m s ASN 4 Ca 0.50 -0.20 0.04 0.00 -0.71 0.00 0.00 52.86 52.49 1s1m s ASN 4 Cb -0.40 -1.17 -0.01 0.00 0.41 0.00 0.00 41.25 40.09 1s1m s ASN 4 CO 0.53 0.29 -0.21 -0.31 -1.51 0.00 0.00 177.10 175.89 1s1m s TYR 5 N -0.38 2.58 -0.29 2.20 1.51 0.11 0.69 117.35 123.76 1s1m s TYR 5 Ca 0.04 -0.82 0.01 0.00 -1.01 0.00 0.00 57.07 55.29 1s1m s TYR 5 Cb -0.12 -1.70 0.06 0.00 -0.11 0.00 0.00 41.96 40.09 1s1m s TYR 5 CO 0.02 -0.28 -0.03 0.42 -1.11 0.00 0.00 175.55 174.57 1s1m s ILE 6 N 0.14 2.61 -0.38 2.71 1.01 -0.09 -1.60 121.20 125.59 1s1m s ILE 6 Ca -0.11 -1.61 -0.25 0.00 0.00 0.00 0.00 60.65 58.67 1s1m s ILE 6 Cb -0.16 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1s1m s ILE 6 CO 0.06 -0.15 0.89 -0.36 0.00 0.00 0.00 174.94 175.38 1s1m s PHE 7 N 1.15 3.06 -0.31 3.97 0.40 0.53 -0.42 117.98 126.37 1s1m s PHE 7 Ca -0.05 0.65 -0.10 0.00 -0.60 0.00 0.00 56.93 56.84 1s1m s PHE 7 Cb -0.20 -3.63 -0.01 0.00 0.51 0.00 0.00 43.02 39.68 1s1m s PHE 7 CO -0.03 -0.85 0.16 0.08 0.70 0.00 0.00 175.22 175.28 1s1m s VAL 8 N 3.42 4.70 0.37 -0.44 1.01 0.26 -0.23 120.40 129.49 1s1m s VAL 8 Ca 0.36 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.08 1s1m s VAL 8 Cb -0.12 -3.37 -0.07 0.00 0.00 0.00 0.00 36.38 32.82 1s1m s VAL 8 CO 0.19 0.10 0.01 0.42 0.00 0.00 0.00 175.10 175.82 1s1m s THR 9 N 1.64 1.76 0.02 3.92 -4.23 0.15 0.22 115.64 119.12 1s1m s THR 9 Ca 0.05 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 1s1m s THR 9 Cb -0.17 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 1s1m s THR 9 CO 0.07 -0.05 -0.08 -0.83 -0.54 0.00 0.00 174.62 173.19 1s1m s GLY 10 N -3.61 0.44 0.28 3.99 0.00 -1.26 -0.66 107.32 106.51 1s1m s GLY 10 Ca 0.35 -0.57 0.02 0.00 0.00 0.00 0.00 44.72 44.52 1s1m s GLY 10 CO 0.17 -0.57 0.07 -0.32 0.00 0.00 0.00 173.10 172.45 1s1m s GLY 11 N -0.97 1.86 0.00 0.20 0.00 0.15 -1.03 107.32 107.53 1s1m s GLY 11 Ca -0.04 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.74 1s1m s GLY 11 CO 0.00 -1.69 0.00 -0.62 0.00 0.00 0.00 173.10 170.80 1s1m n VAL 12 N -0.55 0.00 -4.04 1.40 0.31 -1.26 -3.97 118.33 110.21 1s1m n VAL 12 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.23 1s1m n VAL 12 Cb 0.66 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.50 1s1m n VAL 12 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1s1m s VAL 13 N 0.00 0.15 0.83 2.52 -7.23 -1.26 -5.05 120.40 110.36 1s1m s VAL 13 Ca 0.00 -1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 58.40 1s1m s VAL 13 Cb 0.00 -1.68 0.12 0.00 0.56 0.00 0.00 36.38 35.39 1s1m s VAL 13 CO 0.00 -0.68 1.17 -0.94 -0.31 0.00 0.00 175.10 174.34 1s1m s SER 14 N -2.95 4.06 -0.86 4.85 1.04 -1.26 -4.46 113.70 114.11 1s1m s SER 14 Ca 0.13 0.40 -0.06 0.00 0.48 0.00 0.00 55.95 56.90 1s1m s SER 14 Cb 0.07 -0.75 0.01 0.00 0.10 0.00 0.00 66.02 65.44 1s1m s SER 14 CO -0.05 -2.12 0.75 -1.20 0.98 0.00 0.00 173.24 171.59 1s1m n SER 15 N -3.33 -4.79 -0.32 7.02 7.64 -1.26 -4.91 113.62 113.67 1s1m n SER 15 Ca 0.11 -0.34 0.14 0.00 1.01 0.00 0.00 58.87 59.79 1s1m n SER 15 Cb 0.60 -3.38 0.50 0.00 -1.01 0.00 0.00 64.21 60.93 1s1m n SER 15 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1s1m n LEU 16 N -3.35 1.11 -0.40 -3.43 4.77 -1.26 -4.90 117.00 109.52 1s1m n LEU 16 Ca 0.01 -0.32 -0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1s1m n LEU 16 Cb 0.54 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1s1m n LEU 16 CO 0.41 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1s1m n GLY 17 N 1.24 0.84 0.29 -0.72 0.00 -1.26 -4.98 105.19 100.60 1s1m n GLY 17 Ca 0.16 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1s1m n GLY 17 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s1m h LYS 18 N -0.00 0.59 -0.23 1.61 3.64 -1.99 -1.82 116.57 118.36 1s1m h LYS 18 Ca -0.00 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1s1m h LYS 18 Cb 1.00 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1s1m h LYS 18 CO 0.00 0.55 -0.04 0.78 -2.27 0.00 0.00 179.45 178.48 1s1m h GLY 19 N 0.81 0.47 1.01 5.01 0.00 -1.98 -1.66 103.07 106.74 1s1m h GLY 19 Ca 0.13 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1s1m h GLY 19 CO -0.00 0.34 0.17 -2.22 0.00 0.00 0.00 176.54 174.84 1s1m h ILE 20 N 0.18 1.24 -0.49 2.60 2.04 -1.92 0.23 117.51 121.39 1s1m h ILE 20 Ca 0.06 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 65.02 1s1m h ILE 20 Cb 0.48 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1s1m h ILE 20 CO 0.02 0.32 0.05 0.00 0.00 0.00 0.00 178.15 178.54 1s1m h ALA 21 N 1.05 1.17 -0.22 1.87 0.00 -1.33 0.47 119.26 122.27 1s1m h ALA 21 Ca 0.19 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1s1m h ALA 21 Cb 0.30 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1s1m h ALA 21 CO -0.00 0.55 -0.64 0.00 0.00 0.00 0.00 179.25 179.16 1s1m h ALA 22 N 1.32 0.38 -0.18 0.00 0.00 -1.00 -2.18 119.26 117.59 1s1m h ALA 22 Ca 0.15 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1s1m h ALA 22 Cb 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1s1m h ALA 22 CO 0.01 0.66 0.11 0.00 0.00 0.00 0.00 179.25 180.03 1s1m h ALA 23 N 0.61 0.23 -0.59 0.00 0.00 -0.40 -0.82 119.26 118.29 1s1m h ALA 23 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1s1m h ALA 23 Cb 1.26 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1s1m h ALA 23 CO 0.14 -0.27 0.37 0.77 0.00 0.00 0.00 179.25 180.26 1s1m h SER 24 N 0.22 0.70 -0.41 0.00 0.02 -0.06 0.27 113.55 114.29 1s1m h SER 24 Ca 0.06 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 1s1m h SER 24 Cb 0.02 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1s1m h SER 24 CO -0.01 0.53 -0.30 0.25 -1.14 0.00 0.00 176.83 176.15 1s1m h LEU 25 N 0.81 0.99 -0.53 5.07 5.85 -1.02 -2.50 115.31 123.99 1s1m h LEU 25 Ca 0.22 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1s1m h LEU 25 Cb -0.05 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 1s1m h LEU 25 CO -0.04 1.21 0.32 0.00 -0.34 0.00 0.00 178.44 179.59 1s1m h ALA 26 N 0.85 0.67 -0.94 1.25 0.00 -0.05 -1.70 119.26 119.35 1s1m h ALA 26 Ca 0.08 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1s1m h ALA 26 Cb 0.89 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 1s1m h ALA 26 CO 0.08 0.15 0.60 0.00 0.00 0.00 0.00 179.25 180.08 1s1m h ALA 27 N 1.16 1.87 -0.01 0.00 0.00 -0.14 -0.27 119.26 121.86 1s1m h ALA 27 Ca 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1s1m h ALA 27 Cb -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1s1m h ALA 27 CO -0.04 -0.16 -0.01 0.82 0.00 0.00 0.00 179.25 179.86 1s1m h ILE 28 N 0.66 1.38 -0.78 0.00 2.04 -0.91 -2.06 117.51 117.85 1s1m h ILE 28 Ca 0.50 -1.15 0.07 0.00 1.00 0.00 0.00 64.86 65.28 1s1m h ILE 28 Cb 0.89 2.13 -0.06 0.00 -0.74 0.00 0.00 36.82 39.04 1s1m h ILE 28 CO -0.25 0.30 0.45 -0.07 0.00 0.00 0.00 178.15 178.58 1s1m h LEU 29 N -0.44 0.68 -0.62 1.44 3.38 -0.92 -1.20 115.31 117.64 1s1m h LEU 29 Ca 0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1s1m h LEU 29 Cb 0.50 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1s1m h LEU 29 CO 0.00 0.42 0.25 -0.08 0.09 0.00 0.00 178.44 179.12 1s1m h GLU 30 N 0.81 0.93 0.00 1.13 4.81 -1.06 -1.18 114.58 120.02 1s1m h GLU 30 Ca 0.35 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1s1m h GLU 30 Cb 0.24 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1s1m h GLU 30 CO -0.20 0.78 0.00 0.00 -0.73 0.00 0.00 179.01 178.86 1s1m n ALA 31 N -2.37 1.46 -0.43 2.92 0.00 -0.52 0.37 120.51 121.93 1s1m n ALA 31 Ca 0.04 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.55 1s1m n ALA 31 Cb 0.17 -1.11 0.31 0.00 0.00 0.00 0.00 19.45 18.81 1s1m n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s1m n ARG 32 N -1.34 3.05 -1.02 0.00 1.74 -0.49 -1.97 116.66 116.63 1s1m n ARG 32 Ca 0.03 -2.65 -0.01 0.00 -0.77 0.00 0.00 57.85 54.46 1s1m n ARG 32 Cb 0.06 -1.62 -0.00 0.00 -1.02 0.00 0.00 32.46 29.88 1s1m n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s1m n GLY 33 N 1.27 0.43 3.87 -0.13 0.00 0.16 -4.25 105.19 106.54 1s1m n GLY 33 Ca 0.23 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 1s1m n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s1m s LEU 34 N -0.13 3.96 -0.56 0.99 1.43 -0.90 -5.01 118.68 118.46 1s1m s LEU 34 Ca 0.00 1.09 -0.21 0.00 -1.03 0.00 0.00 54.13 53.98 1s1m s LEU 34 Cb 0.00 -3.93 0.06 0.00 0.03 0.00 0.00 46.19 42.35 1s1m s LEU 34 CO 0.00 -0.28 0.80 0.21 0.23 0.00 0.00 176.35 177.31 1s1m s ASN 35 N -2.83 6.25 0.07 2.29 2.47 -1.26 -4.44 114.94 117.49 1s1m s ASN 35 Ca 0.51 -0.80 0.08 0.00 0.42 0.00 0.00 52.86 53.06 1s1m s ASN 35 Cb -0.10 -2.36 -0.03 0.00 -1.45 0.00 0.00 41.25 37.30 1s1m s ASN 35 CO 0.26 -1.12 -0.21 -0.69 -3.72 0.00 0.00 177.10 171.62 1s1m s VAL 36 N 3.32 1.68 0.26 -5.21 1.01 -1.26 -0.02 120.40 120.18 1s1m s VAL 36 Ca 0.21 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1s1m s VAL 36 Cb -0.17 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1s1m s VAL 36 CO 0.13 0.09 0.12 0.28 0.00 0.00 0.00 175.10 175.72 1s1m s THR 37 N -0.95 0.41 0.01 3.92 -1.32 -0.77 -4.65 115.64 112.28 1s1m s THR 37 Ca 0.07 -2.00 -0.00 0.00 -1.21 0.00 0.00 61.69 58.55 1s1m s THR 37 Cb -0.09 -2.59 -0.01 0.00 -1.51 0.00 0.00 72.50 68.30 1s1m s THR 37 CO 0.03 0.00 -0.00 -0.63 -2.21 0.00 0.00 174.62 171.80 1s1m s ILE 38 N -3.79 0.04 0.05 5.08 1.01 -1.26 -1.10 121.20 121.22 1s1m s ILE 38 Ca 0.38 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.73 1s1m s ILE 38 Cb 0.07 -0.11 -0.02 0.00 0.01 0.00 0.00 42.46 42.40 1s1m s ILE 38 CO 0.14 -0.18 -0.11 0.00 0.00 0.00 0.00 174.94 174.79 1s1m s MET 39 N -0.54 0.69 -0.29 2.79 0.23 0.69 -4.86 119.30 118.00 1s1m s MET 39 Ca -0.06 -0.77 -0.06 0.00 -1.03 0.00 0.00 55.69 53.77 1s1m s MET 39 Cb -0.04 -0.60 0.01 0.00 -1.53 0.00 0.00 34.83 32.67 1s1m s MET 39 CO -0.00 0.13 0.07 0.21 -2.03 0.00 0.00 175.02 173.40 1s1m s LYS 40 N -1.42 3.05 -0.45 3.16 2.47 0.15 -0.83 119.74 125.88 1s1m s LYS 40 Ca -0.04 -0.88 -0.14 0.00 -1.56 0.00 0.00 55.97 53.35 1s1m s LYS 40 Cb -0.09 -3.33 0.07 0.00 -1.46 0.00 0.00 37.83 33.01 1s1m s LYS 40 CO 0.01 -0.45 0.34 -0.51 0.16 0.00 0.00 175.35 174.90 1s1m s LEU 41 N 1.48 5.39 -0.37 5.43 1.02 -0.70 -2.02 118.68 128.91 1s1m s LEU 41 Ca 0.02 -1.30 -0.14 0.00 0.02 0.00 0.00 54.13 52.73 1s1m s LEU 41 Cb -0.17 -2.12 -0.00 0.00 0.02 0.00 0.00 46.19 43.91 1s1m s LEU 41 CO 0.02 -0.58 0.29 -1.81 0.02 0.00 0.00 176.35 174.29 1s1m s ASP 42 N 2.31 6.11 -1.24 2.29 1.01 -0.36 0.26 116.67 127.05 1s1m s ASP 42 Ca 0.04 -0.55 -0.13 0.00 0.71 0.00 0.00 52.55 52.61 1s1m s ASP 42 Cb -0.23 -2.16 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1s1m s ASP 42 CO 0.06 -0.34 2.32 -0.81 0.21 0.00 0.00 175.17 176.60 1s1m n PRO 43 N 5.21 2.60 -4.03 8.23 -0.04 -1.26 -2.18 135.00 143.53 1s1m n PRO 43 Ca -0.11 -2.11 -0.12 0.00 -0.04 0.00 0.00 63.50 61.11 1s1m n PRO 43 Cb 0.49 -2.93 -0.12 0.00 -0.04 0.00 0.00 33.50 30.90 1s1m n PRO 43 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1s1m s TYR 44 N 3.40 0.41 0.01 0.54 -0.85 -1.26 -4.84 117.35 114.76 1s1m s TYR 44 Ca 0.54 -0.34 0.32 0.00 -0.52 0.00 0.00 57.07 57.07 1s1m s TYR 44 Cb 0.14 -0.26 1.26 0.00 0.38 0.00 0.00 41.96 43.48 1s1m s TYR 44 CO -0.02 -0.08 1.93 0.82 -1.52 0.00 0.00 175.55 176.68 1s1m h ILE 45 N 4.75 0.00 -2.37 -3.49 2.04 -1.92 -1.97 117.51 114.55 1s1m h ILE 45 Ca -0.31 -0.52 -0.59 0.00 1.00 0.00 0.00 64.86 64.44 1s1m h ILE 45 Cb 1.20 1.50 0.07 0.00 -0.74 0.00 0.00 36.82 38.85 1s1m h ILE 45 CO 0.44 0.00 0.70 0.59 0.00 0.00 0.00 178.15 179.89 1s1m n ASN 46 N -3.01 2.85 -0.02 1.72 3.02 -1.26 -3.70 115.26 114.86 1s1m n ASN 46 Ca 0.01 1.11 -0.17 0.00 -0.03 0.00 0.00 54.58 55.50 1s1m n ASN 46 Cb 0.32 -1.41 -0.08 0.00 -0.61 0.00 0.00 39.78 37.99 1s1m n ASN 46 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1s1m h VAL 47 N 3.38 1.34 -3.23 2.41 2.07 -1.88 -3.38 116.25 116.96 1s1m h VAL 47 Ca -0.45 -1.89 -0.55 0.00 0.82 0.00 0.00 66.70 64.63 1s1m h VAL 47 Cb 1.27 2.16 -0.37 0.00 -1.52 0.00 0.00 31.29 32.83 1s1m h VAL 47 CO 0.83 0.58 -0.81 -0.62 0.02 0.00 0.00 177.57 177.57 1s1m s ASP 48 N -6.81 2.55 0.52 0.57 2.15 -1.26 -4.45 116.67 109.94 1s1m s ASP 48 Ca -0.12 -0.48 0.33 0.00 0.43 0.00 0.00 52.55 52.71 1s1m s ASP 48 Cb 0.06 -0.95 1.48 0.00 -0.30 0.00 0.00 42.92 43.22 1s1m s ASP 48 CO 0.85 -0.13 1.82 -0.65 -0.17 0.00 0.00 175.17 176.89 1s1m h PRO 49 N 8.12 0.05 -0.02 4.34 0.11 -1.84 -2.24 132.00 140.52 1s1m h PRO 49 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1s1m h PRO 49 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1s1m h PRO 49 CO 0.43 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.66 1s1m n GLY 50 N -1.72 -0.01 0.00 -0.55 0.00 -1.26 -0.58 105.19 101.08 1s1m n GLY 50 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1s1m n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s1m n THR 51 N -0.15 0.00 -2.90 2.61 -2.24 -0.84 -5.07 114.28 105.69 1s1m n THR 51 Ca 0.00 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.24 1s1m n THR 51 Cb 0.01 1.38 -0.04 0.00 -2.10 0.00 0.00 70.33 69.58 1s1m n THR 51 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1s1m s MET 52 N -0.13 3.86 0.38 -0.78 -1.94 0.26 -5.05 119.30 115.89 1s1m s MET 52 Ca 0.00 0.57 -0.18 0.00 -1.71 0.00 0.00 55.69 54.38 1s1m s MET 52 Cb 0.00 -2.38 -0.10 0.00 2.01 0.00 0.00 34.83 34.36 1s1m s MET 52 CO 0.00 0.00 0.84 -1.54 -0.01 0.00 0.00 175.02 174.31 1s1m s SER 53 N -2.88 6.85 0.33 3.03 1.04 -1.26 -4.91 113.70 115.90 1s1m s SER 53 Ca 0.53 1.48 0.16 0.00 0.48 0.00 0.00 55.95 58.60 1s1m s SER 53 Cb -0.10 -2.45 0.48 0.00 0.10 0.00 0.00 66.02 64.04 1s1m s SER 53 CO 0.27 -0.29 1.64 -0.65 0.98 0.00 0.00 173.24 175.19 1s1m h PRO 54 N 2.07 0.00 -0.89 4.02 0.11 -1.91 0.45 132.00 135.84 1s1m h PRO 54 Ca -0.48 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.83 1s1m h PRO 54 Cb 1.18 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 1s1m h PRO 54 CO 0.63 0.47 0.42 0.82 -0.21 0.00 0.00 178.00 180.13 1s1m h ILE 55 N 0.00 0.56 0.00 4.15 5.03 -1.93 6.67 117.51 131.99 1s1m h ILE 55 Ca -0.00 -0.17 -0.13 0.00 -0.12 0.00 0.00 64.86 64.44 1s1m h ILE 55 Cb 1.06 0.03 -0.02 0.00 -3.03 0.00 0.00 36.82 34.86 1s1m h ILE 55 CO 0.06 0.09 -0.97 1.67 -0.68 0.00 0.00 178.15 178.32 1s1m n GLN 56 N -4.98 0.51 -0.04 2.37 7.27 -0.91 -4.54 117.38 117.07 1s1m n GLN 56 Ca 0.21 0.53 0.08 0.00 0.07 0.00 0.00 57.00 57.89 1s1m n GLN 56 Cb 0.60 -1.70 0.09 0.00 2.41 0.00 0.00 30.24 31.64 1s1m n GLN 56 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1s1m n HIS 57 N -4.51 0.11 0.00 3.69 -0.00 0.15 -5.06 115.22 109.60 1s1m n HIS 57 Ca -0.21 -0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.43 1s1m n HIS 57 Cb 0.49 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.48 1s1m n HIS 57 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1s1m n GLY 58 N 0.91 -0.61 3.65 1.57 0.00 2.15 -4.85 105.19 108.01 1s1m n GLY 58 Ca 0.11 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 1s1m n GLY 58 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1s1m n GLU 59 N -0.63 0.82 -3.37 1.61 0.28 0.87 -4.16 120.64 116.07 1s1m n GLU 59 Ca 0.00 0.33 -0.44 0.00 -0.16 0.00 0.00 57.16 56.89 1s1m n GLU 59 Cb 0.00 -2.29 -0.08 0.00 1.43 0.00 0.00 31.44 30.50 1s1m n GLU 59 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1s1m s VAL 60 N -1.58 5.17 0.47 3.84 1.01 -1.26 -3.98 120.40 124.08 1s1m s VAL 60 Ca 0.77 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 1s1m s VAL 60 Cb -0.38 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 31.84 1s1m s VAL 60 CO 0.46 -0.52 1.12 0.12 0.00 0.00 0.00 175.10 176.28 1s1m s PHE 61 N 1.86 2.91 -0.12 5.22 5.36 -0.76 -4.80 117.98 127.64 1s1m s PHE 61 Ca 0.07 1.56 0.02 0.00 -0.96 0.00 0.00 56.93 57.62 1s1m s PHE 61 Cb -0.21 -3.27 0.01 0.00 -0.34 0.00 0.00 43.02 39.21 1s1m s PHE 61 CO 0.09 -1.27 -0.18 0.08 -1.46 0.00 0.00 175.22 172.49 1s1m s VAL 62 N -1.68 1.69 0.71 3.12 1.01 -1.26 0.22 120.40 124.20 1s1m s VAL 62 Ca 0.65 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1s1m s VAL 62 Cb -0.24 -1.52 0.08 0.00 0.00 0.00 0.00 36.38 34.69 1s1m s VAL 62 CO 0.29 0.48 1.01 0.42 0.00 0.00 0.00 175.10 177.30 1s1m s THR 63 N 0.89 2.28 0.21 3.92 -4.23 -0.61 -4.93 115.64 113.16 1s1m s THR 63 Ca -0.08 -0.33 -0.10 0.00 -1.18 0.00 0.00 61.69 60.00 1s1m s THR 63 Cb -0.15 -2.95 0.14 0.00 1.34 0.00 0.00 72.50 70.88 1s1m s THR 63 CO -0.01 0.00 1.73 -0.33 -0.54 0.00 0.00 174.62 175.47 1s1m h GLU 64 N -0.60 0.34 0.00 3.99 5.08 -1.91 -0.30 114.58 121.18 1s1m h GLU 64 Ca -0.43 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1s1m h GLU 64 Cb 1.30 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1s1m h GLU 64 CO 0.55 0.22 0.00 -0.40 -1.00 0.00 0.00 179.01 178.39 1s1m n ASP 65 N -5.04 0.00 0.00 1.42 5.75 -1.26 -0.06 116.55 117.36 1s1m n ASP 65 Ca 0.08 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.76 1s1m n ASP 65 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1s1m n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s1m n GLY 66 N 0.31 1.49 3.75 6.12 0.00 -0.12 -4.84 105.19 111.90 1s1m n GLY 66 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1s1m n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1m n ALA 67 N -0.65 1.98 -2.81 4.61 0.00 -1.26 -4.58 120.51 117.80 1s1m n ALA 67 Ca 0.00 0.27 -0.36 0.00 0.00 0.00 0.00 53.44 53.35 1s1m n ALA 67 Cb 0.00 -2.38 -0.11 0.00 0.00 0.00 0.00 19.45 16.97 1s1m n ALA 67 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1s1m s GLU 68 N -2.34 3.89 0.21 0.00 2.02 -1.26 -1.58 118.70 119.64 1s1m s GLU 68 Ca 0.60 -0.36 0.03 0.00 0.02 0.00 0.00 54.97 55.25 1s1m s GLU 68 Cb -0.46 -3.40 -0.01 0.00 0.10 0.00 0.00 34.13 30.35 1s1m s GLU 68 CO 0.59 0.00 0.12 0.25 0.02 0.00 0.00 175.26 176.24 1s1m n THR 69 N 4.40 0.00 -2.26 3.63 -2.24 0.13 -4.42 114.28 113.52 1s1m n THR 69 Ca -0.16 -1.36 -0.40 0.00 -2.27 0.00 0.00 64.05 59.86 1s1m n THR 69 Cb 0.52 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 1s1m n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s1m s ASP 70 N -2.37 6.95 0.61 3.42 -1.08 -1.26 -1.83 116.67 121.11 1s1m s ASP 70 Ca 0.17 2.51 0.28 0.00 -0.52 0.00 0.00 52.55 54.98 1s1m s ASP 70 Cb 0.01 -2.64 1.41 0.00 -1.46 0.00 0.00 42.92 40.24 1s1m s ASP 70 CO 0.12 -0.39 1.82 0.17 0.52 0.00 0.00 175.17 177.40 1s1m h LEU 71 N 3.50 0.00 -2.07 -1.34 8.10 -1.89 -1.11 115.31 120.50 1s1m h LEU 71 Ca -0.48 0.00 0.06 0.00 0.11 0.00 0.00 57.88 57.57 1s1m h LEU 71 Cb 1.22 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.43 1s1m h LEU 71 CO 0.66 0.00 0.15 0.44 -4.11 0.00 0.00 178.44 175.58 1s1m h ASP 72 N 0.00 0.00 0.64 0.17 3.32 -1.93 0.18 116.42 118.79 1s1m h ASP 72 Ca 0.17 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1s1m h ASP 72 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1s1m h ASP 72 CO -0.00 0.00 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.33 1s1m h LEU 73 N 0.00 0.00 -0.51 1.55 4.07 -1.57 0.14 115.31 118.99 1s1m h LEU 73 Ca 0.09 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.94 1s1m h LEU 73 Cb 0.40 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1s1m h LEU 73 CO -0.00 0.12 -0.14 1.23 -1.08 0.00 0.00 178.44 178.57 1s1m h GLY 74 N 1.39 1.07 0.77 0.83 0.00 -0.83 -0.25 103.07 106.06 1s1m h GLY 74 Ca -0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 47.33 46.41 1s1m h GLY 74 CO 0.02 0.82 -0.00 0.45 0.00 0.00 0.00 176.54 177.82 1s1m h HIS 75 N 0.85 0.25 -0.55 5.60 3.86 -1.10 -1.23 115.15 122.83 1s1m h HIS 75 Ca 0.13 -0.04 0.11 0.00 -1.16 0.00 0.00 60.37 59.40 1s1m h HIS 75 Cb 0.70 -0.07 -0.09 0.00 1.06 0.00 0.00 27.41 29.02 1s1m h HIS 75 CO 0.05 0.47 0.01 1.88 0.86 0.00 0.00 177.93 181.20 1s1m h TYR 76 N -0.04 -0.02 -0.11 2.45 0.99 -0.45 -0.84 116.97 118.96 1s1m h TYR 76 Ca 0.04 0.04 -0.05 0.00 2.00 0.00 0.00 58.73 60.76 1s1m h TYR 76 Cb 0.37 0.10 -0.01 0.00 1.00 0.00 0.00 36.73 38.19 1s1m h TYR 76 CO 0.04 -0.13 -0.17 0.93 -0.00 0.00 0.00 178.16 178.83 1s1m h GLU 77 N 0.13 0.17 0.00 4.88 5.08 -0.78 -1.44 114.58 122.61 1s1m h GLU 77 Ca 0.28 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1s1m h GLU 77 Cb 0.44 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1s1m h GLU 77 CO -0.46 0.34 0.00 0.54 -1.00 0.00 0.00 179.01 178.43 1s1m n ARG 78 N -4.27 0.94 0.00 2.33 1.74 -0.34 -3.81 116.66 113.26 1s1m n ARG 78 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1s1m n ARG 78 Cb 0.28 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1s1m n ARG 78 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1s1m n PHE 79 N -0.98 0.00 -4.33 -1.55 3.01 -0.77 -4.55 117.46 108.29 1s1m n PHE 79 Ca 0.22 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.50 1s1m n PHE 79 Cb 0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.47 1s1m n PHE 79 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1s1m s ILE 80 N -1.82 1.46 -0.89 4.37 -4.36 -0.62 -4.27 121.20 115.07 1s1m s ILE 80 Ca 0.00 -2.13 0.23 0.00 -0.26 0.00 0.00 60.65 58.49 1s1m s ILE 80 Cb 0.00 -2.08 -0.09 0.00 1.25 0.00 0.00 42.46 41.53 1s1m s ILE 80 CO 0.00 -0.56 1.16 0.54 0.24 0.00 0.00 174.94 176.32 1s1m n ARG 81 N -0.36 0.08 -1.84 0.37 1.74 -1.26 -4.61 116.66 110.78 1s1m n ARG 81 Ca -0.08 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.59 1s1m n ARG 81 Cb 0.61 -1.53 -0.01 0.00 -1.02 0.00 0.00 32.46 30.52 1s1m n ARG 81 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1s1m s THR 82 N -3.05 2.17 0.22 0.55 2.01 -1.26 -4.96 115.64 111.32 1s1m s THR 82 Ca 0.08 0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.15 1s1m s THR 82 Cb 0.16 -3.10 -0.07 0.00 0.01 0.00 0.00 72.50 69.50 1s1m s THR 82 CO 0.78 0.03 0.52 -0.54 -0.69 0.00 0.00 174.62 174.72 1s1m s LYS 83 N -1.30 3.76 0.16 4.92 -0.14 -1.26 -4.83 119.74 121.05 1s1m s LYS 83 Ca 0.57 0.19 -0.13 0.00 -1.36 0.00 0.00 55.97 55.24 1s1m s LYS 83 Cb -0.46 -2.68 -0.07 0.00 -1.68 0.00 0.00 37.83 32.94 1s1m s LYS 83 CO 0.55 0.33 0.54 -1.64 -0.76 0.00 0.00 175.35 174.37 1s1m s MET 84 N -2.86 3.93 0.40 1.68 -1.94 -1.26 -5.05 119.30 114.20 1s1m s MET 84 Ca 0.46 0.43 0.02 0.00 -1.71 0.00 0.00 55.69 54.89 1s1m s MET 84 Cb -0.11 -2.87 -0.01 0.00 2.01 0.00 0.00 34.83 33.85 1s1m s MET 84 CO 0.22 0.45 0.08 -1.13 -0.01 0.00 0.00 175.02 174.63 1s1m n SER 85 N 0.60 1.98 0.24 3.03 3.41 -1.26 -4.11 113.62 117.50 1s1m n SER 85 Ca -0.04 -2.96 0.16 0.00 -0.26 0.00 0.00 58.87 55.77 1s1m n SER 85 Cb 0.52 0.70 0.79 0.00 -0.26 0.00 0.00 64.21 65.96 1s1m n SER 85 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1s1m h ARG 86 N 0.00 0.00 -0.03 4.33 0.11 -1.93 -1.45 114.38 115.41 1s1m h ARG 86 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 1s1m h ARG 86 Cb 1.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 1s1m h ARG 86 CO 0.52 0.00 0.00 2.89 0.10 0.00 0.00 179.97 183.48 1s1m n ARG 87 N -2.70 1.08 -0.09 0.08 1.85 -1.26 -3.29 116.66 112.33 1s1m n ARG 87 Ca -0.01 -0.12 0.07 0.00 -1.00 0.00 0.00 57.85 56.79 1s1m n ARG 87 Cb 0.15 -1.10 0.12 0.00 -1.05 0.00 0.00 32.46 30.57 1s1m n ARG 87 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1s1m n ASN 88 N -0.47 2.62 -3.72 2.89 4.13 -0.55 -4.62 115.26 115.54 1s1m n ASN 88 Ca 0.05 -1.77 -0.12 0.00 1.68 0.00 0.00 54.58 54.43 1s1m n ASN 88 Cb 0.05 -0.12 -0.12 0.00 -1.54 0.00 0.00 39.78 38.05 1s1m n ASN 88 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1s1m s ASN 89 N -1.12 -0.38 0.05 6.41 3.04 -1.21 0.33 114.94 122.06 1s1m s ASN 89 Ca 0.22 0.69 -0.24 0.00 0.04 0.00 0.00 52.86 53.58 1s1m s ASN 89 Cb 0.14 0.60 0.06 0.00 -1.54 0.00 0.00 41.25 40.50 1s1m s ASN 89 CO 0.19 -0.17 0.57 0.72 -3.04 0.00 0.00 177.10 175.37 1s1m s PHE 90 N 1.12 -0.49 0.37 0.43 -0.12 -0.86 -4.97 117.98 113.45 1s1m s PHE 90 Ca -0.08 0.57 0.08 0.00 -0.05 0.00 0.00 56.93 57.46 1s1m s PHE 90 Cb -0.08 0.40 -0.05 0.00 -0.63 0.00 0.00 43.02 42.66 1s1m s PHE 90 CO -0.09 -0.68 0.09 0.95 -0.05 0.00 0.00 175.22 175.45 1s1m s THR 91 N -2.46 2.56 0.21 -4.49 -4.23 -1.26 -1.23 115.64 104.74 1s1m s THR 91 Ca -0.05 -1.83 -0.09 0.00 -1.18 0.00 0.00 61.69 58.54 1s1m s THR 91 Cb -0.01 -2.91 0.15 0.00 1.34 0.00 0.00 72.50 71.07 1s1m s THR 91 CO -0.02 -0.12 1.74 0.74 -0.54 0.00 0.00 174.62 176.43 1s1m h THR 92 N 1.63 0.75 -0.82 3.99 2.02 -0.97 -1.04 112.91 118.47 1s1m h THR 92 Ca -0.43 -0.13 0.10 0.00 0.77 0.00 0.00 66.41 66.71 1s1m h THR 92 Cb 1.25 0.33 -0.07 0.00 -1.74 0.00 0.00 68.15 67.92 1s1m h THR 92 CO 0.68 0.07 0.46 1.23 0.37 0.00 0.00 175.52 178.34 1s1m h GLY 93 N 0.39 1.27 1.01 2.16 0.00 -1.45 0.61 103.07 107.06 1s1m h GLY 93 Ca 0.31 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1s1m h GLY 93 CO -0.32 0.12 0.55 -0.09 0.00 0.00 0.00 176.54 176.81 1s1m h ARG 94 N 0.78 1.12 0.29 4.80 9.65 -1.41 0.22 114.38 129.83 1s1m h ARG 94 Ca 0.40 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.19 1s1m h ARG 94 Cb 0.37 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1s1m h ARG 94 CO -0.25 0.75 -0.14 0.82 2.80 0.00 0.00 179.97 183.95 1s1m h ILE 95 N 1.15 0.75 -0.32 1.20 1.08 -0.49 0.13 117.51 121.01 1s1m h ILE 95 Ca 0.31 -0.38 0.02 0.00 -0.39 0.00 0.00 64.86 64.42 1s1m h ILE 95 Cb -0.12 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 1s1m h ILE 95 CO -0.07 0.08 0.16 1.88 -0.69 0.00 0.00 178.15 179.52 1s1m h TYR 96 N -0.59 0.30 -0.98 1.37 -1.99 -0.99 0.14 116.97 114.24 1s1m h TYR 96 Ca -0.04 0.01 0.17 0.00 2.00 0.00 0.00 58.73 60.87 1s1m h TYR 96 Cb 0.43 -0.09 -0.09 0.00 2.00 0.00 0.00 36.73 38.98 1s1m h TYR 96 CO -0.00 0.17 0.61 1.03 -0.00 0.00 0.00 178.16 179.96 1s1m h SER 97 N 0.34 0.75 0.17 3.88 0.87 -0.43 0.51 113.55 119.63 1s1m h SER 97 Ca 0.13 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1s1m h SER 97 Cb 0.04 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1s1m h SER 97 CO -0.08 0.32 -0.08 0.44 -0.53 0.00 0.00 176.83 176.89 1s1m h ASP 98 N 0.76 -0.19 -0.41 6.23 5.19 -0.27 -2.92 116.42 124.81 1s1m h ASP 98 Ca 0.53 -0.28 0.02 0.00 -0.62 0.00 0.00 57.03 56.68 1s1m h ASP 98 Cb 0.83 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.36 1s1m h ASP 98 CO -0.30 0.21 0.24 0.58 -3.12 0.00 0.00 179.24 176.84 1s1m h VAL 99 N -0.62 1.03 -0.35 -1.35 2.07 -0.02 -1.14 116.25 115.87 1s1m h VAL 99 Ca -0.02 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.41 1s1m h VAL 99 Cb 0.46 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 1s1m h VAL 99 CO 0.04 0.09 -0.27 -0.07 0.02 0.00 0.00 177.57 177.38 1s1m h LEU 100 N 0.48 -0.88 -0.62 2.57 3.38 -0.04 0.56 115.31 120.76 1s1m h LEU 100 Ca 0.16 0.17 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 1s1m h LEU 100 Cb 0.02 0.43 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1s1m h LEU 100 CO -0.08 -0.29 0.05 -0.09 0.09 0.00 0.00 178.44 178.12 1s1m h ARG 101 N -0.22 1.06 -0.64 1.13 2.43 -1.41 0.42 114.38 117.15 1s1m h ARG 101 Ca 0.17 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1s1m h ARG 101 Cb 0.49 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1s1m h ARG 101 CO -0.48 1.01 0.33 -0.22 -1.51 0.00 0.00 179.97 179.11 1s1m h LYS 102 N 0.96 0.90 -0.33 0.20 3.64 -0.44 -1.83 116.57 119.67 1s1m h LYS 102 Ca 0.18 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1s1m h LYS 102 Cb 0.50 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1s1m h LYS 102 CO 0.02 0.70 0.06 1.49 -2.27 0.00 0.00 179.45 179.45 1s1m h GLU 103 N 0.87 0.54 0.00 1.90 4.22 0.68 -2.27 114.58 120.52 1s1m h GLU 103 Ca 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 59.36 59.51 1s1m h GLU 103 Cb 0.07 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1s1m h GLU 103 CO -0.03 0.62 -0.04 0.00 -2.18 0.00 0.00 179.01 177.38 1s1m h ARG 104 N 0.38 0.00 -0.90 1.92 3.08 0.29 -1.51 114.38 117.63 1s1m h ARG 104 Ca 0.10 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.87 1s1m h ARG 104 Cb 0.33 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.21 1s1m h ARG 104 CO 0.00 0.04 0.36 2.89 -1.07 0.00 0.00 179.97 182.19 1s1m n ARG 105 N -3.40 2.66 -1.63 0.04 1.85 -0.73 -4.89 116.66 110.56 1s1m n ARG 105 Ca -0.02 -2.42 -0.19 0.00 -1.00 0.00 0.00 57.85 54.21 1s1m n ARG 105 Cb 0.16 -1.99 -0.08 0.00 -1.05 0.00 0.00 32.46 29.51 1s1m n ARG 105 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1s1m n GLY 106 N -0.40 1.66 0.28 2.89 0.00 -0.57 -4.85 105.19 104.21 1s1m n GLY 106 Ca 0.39 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.56 1s1m n GLY 106 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s1m h ASP 107 N 0.00 0.00 0.65 1.61 5.19 -1.60 -2.11 116.42 120.15 1s1m h ASP 107 Ca -0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1s1m h ASP 107 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 1s1m h ASP 107 CO 0.58 0.07 -0.49 -1.22 -3.12 0.00 0.00 179.24 175.06 1s1m n TYR 108 N -3.67 0.16 -3.38 4.55 4.02 -1.26 -4.99 117.16 112.58 1s1m n TYR 108 Ca -0.02 0.05 -0.17 0.00 -0.01 0.00 0.00 57.90 57.74 1s1m n TYR 108 Cb 0.17 -0.39 0.07 0.00 -0.02 0.00 0.00 39.34 39.17 1s1m n TYR 108 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1s1m n LEU 109 N -1.67 -4.70 0.00 7.72 4.77 -0.80 -2.42 117.00 119.90 1s1m n LEU 109 Ca 0.05 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1s1m n LEU 109 Cb 0.37 -3.09 0.00 0.00 -2.33 0.00 0.00 43.42 38.37 1s1m n LEU 109 CO 0.35 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1s1m n GLY 110 N -1.26 0.40 3.78 -0.72 0.00 -1.26 -4.96 105.19 101.17 1s1m n GLY 110 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1s1m n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1m s ALA 111 N -1.83 2.46 0.04 4.61 0.00 -1.02 -4.96 121.76 121.07 1s1m s ALA 111 Ca 0.00 0.38 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 1s1m s ALA 111 Cb 0.00 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 1s1m s ALA 111 CO 0.00 -1.36 1.33 0.99 0.00 0.00 0.00 175.76 176.71 1s1m s THR 112 N -2.63 3.72 -0.18 0.00 2.01 -1.26 -4.98 115.64 112.33 1s1m s THR 112 Ca 0.63 1.18 -0.17 0.00 0.31 0.00 0.00 61.69 63.65 1s1m s THR 112 Cb -0.18 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1s1m s THR 112 CO 0.47 0.05 0.44 -0.69 -0.69 0.00 0.00 174.62 174.20 1s1m s VAL 113 N 1.66 5.18 0.22 3.82 1.01 -1.26 -5.00 120.40 126.03 1s1m s VAL 113 Ca 0.62 0.82 0.01 0.00 0.00 0.00 0.00 61.98 63.43 1s1m s VAL 113 Cb -0.32 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1s1m s VAL 113 CO 0.28 0.26 0.06 -1.10 0.00 0.00 0.00 175.10 174.61 1s1m s GLN 114 N 1.14 1.26 0.18 2.72 -0.21 -1.26 -5.02 119.66 118.46 1s1m s GLN 114 Ca 0.22 -1.65 -0.14 0.00 0.02 0.00 0.00 55.36 53.81 1s1m s GLN 114 Cb -0.15 -0.19 0.16 0.00 1.00 0.00 0.00 33.01 33.83 1s1m s GLN 114 CO 0.09 -0.24 1.73 0.28 -2.12 0.00 0.00 175.29 175.02 1s1m h VAL 115 N 2.54 0.78 -3.45 1.09 2.07 -1.96 -2.03 116.25 115.29 1s1m h VAL 115 Ca -0.37 -0.09 -0.67 0.00 0.82 0.00 0.00 66.70 66.38 1s1m h VAL 115 Cb 1.23 0.49 -0.34 0.00 -1.52 0.00 0.00 31.29 31.15 1s1m h VAL 115 CO 0.61 0.05 -0.79 -0.63 0.02 0.00 0.00 177.57 176.83 1s1m s ILE 116 N -6.14 2.54 -1.18 4.57 1.01 -1.26 -1.55 121.20 119.19 1s1m s ILE 116 Ca -0.13 -1.10 0.16 0.00 0.00 0.00 0.00 60.65 59.58 1s1m s ILE 116 Cb 0.14 -2.27 -0.08 0.00 0.01 0.00 0.00 42.46 40.27 1s1m s ILE 116 CO 0.72 0.26 0.78 -0.81 0.00 0.00 0.00 174.94 175.89 1s1m n PRO 117 N 4.61 1.70 0.10 2.79 -0.04 -1.25 -4.97 135.00 137.94 1s1m n PRO 117 Ca -0.17 -0.45 -0.12 0.00 -0.04 0.00 0.00 63.50 62.71 1s1m n PRO 117 Cb 0.47 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.60 1s1m n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1s1m h HIS 118 N 1.02 -0.73 -0.12 0.54 3.86 -1.41 0.66 115.15 118.97 1s1m h HIS 118 Ca 0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1s1m h HIS 118 Cb 0.48 0.31 -0.00 0.00 1.06 0.00 0.00 27.41 29.26 1s1m h HIS 118 CO 0.00 -0.37 -0.02 0.82 0.86 0.00 0.00 177.93 179.22 1s1m h ILE 119 N -0.47 1.28 -0.40 2.45 1.08 -1.10 -2.04 117.51 118.31 1s1m h ILE 119 Ca 0.04 -0.92 -0.04 0.00 -0.39 0.00 0.00 64.86 63.55 1s1m h ILE 119 Cb 0.51 1.65 -0.02 0.00 -3.07 0.00 0.00 36.82 35.88 1s1m h ILE 119 CO -0.17 0.26 0.09 0.71 -0.69 0.00 0.00 178.15 178.35 1s1m h THR 120 N -0.08 1.18 -0.71 -0.27 1.35 -1.30 -0.82 112.91 112.26 1s1m h THR 120 Ca 0.03 -0.65 -0.06 0.00 -0.55 0.00 0.00 66.41 65.18 1s1m h THR 120 Cb 0.42 0.78 -0.03 0.00 -1.73 0.00 0.00 68.15 67.59 1s1m h THR 120 CO 0.01 0.24 0.21 0.78 -0.25 0.00 0.00 175.52 176.50 1s1m h ASN 121 N 0.58 1.04 -0.39 5.36 2.35 0.47 -1.65 115.58 123.34 1s1m h ASN 121 Ca 0.13 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 1s1m h ASN 121 Cb 0.23 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1s1m h ASN 121 CO -0.00 0.98 0.08 0.00 -1.65 0.00 0.00 177.43 176.83 1s1m h ALA 122 N 1.15 1.27 -0.04 -0.83 0.00 -0.44 -1.46 119.26 118.90 1s1m h ALA 122 Ca 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1s1m h ALA 122 Cb 0.32 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1s1m h ALA 122 CO -0.00 0.50 -0.03 0.82 0.00 0.00 0.00 179.25 180.54 1s1m h ILE 123 N 0.69 1.35 -0.88 0.00 2.04 -0.85 -2.74 117.51 117.11 1s1m h ILE 123 Ca 0.15 -1.09 0.11 0.00 1.00 0.00 0.00 64.86 65.03 1s1m h ILE 123 Cb 0.31 1.99 -0.08 0.00 -0.74 0.00 0.00 36.82 38.30 1s1m h ILE 123 CO 0.00 0.29 0.52 0.11 0.00 0.00 0.00 178.15 179.07 1s1m h LYS 124 N -0.32 0.81 -0.40 2.37 1.57 -1.14 -0.31 116.57 119.15 1s1m h LYS 124 Ca 0.01 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1s1m h LYS 124 Cb 0.49 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 1s1m h LYS 124 CO 0.01 0.53 0.19 0.93 -0.57 0.00 0.00 179.45 180.54 1s1m h GLU 125 N 0.83 0.37 -0.42 3.15 5.08 -1.18 -1.46 114.58 120.95 1s1m h GLU 125 Ca 0.44 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.68 1s1m h GLU 125 Cb 0.44 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1s1m h GLU 125 CO -0.27 0.25 -0.13 0.00 -1.00 0.00 0.00 179.01 177.86 1s1m h ARG 126 N 0.39 0.77 0.47 2.33 3.08 -0.92 -2.01 114.38 118.50 1s1m h ARG 126 Ca 0.17 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1s1m h ARG 126 Cb 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1s1m h ARG 126 CO -0.13 0.86 -0.23 0.28 -1.07 0.00 0.00 179.97 179.68 1s1m h VAL 127 N 0.69 0.53 -0.98 2.04 2.07 -0.62 -1.48 116.25 118.49 1s1m h VAL 127 Ca 0.11 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1s1m h VAL 127 Cb 0.61 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1s1m h VAL 127 CO 0.04 0.03 0.63 -0.07 0.02 0.00 0.00 177.57 178.21 1s1m h LEU 128 N -0.72 0.93 -1.15 2.57 3.38 -1.26 -0.11 115.31 118.95 1s1m h LEU 128 Ca -0.06 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1s1m h LEU 128 Cb 0.53 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1s1m h LEU 128 CO 0.11 0.53 0.36 -0.08 0.09 0.00 0.00 178.44 179.46 1s1m h GLU 129 N 1.02 0.96 0.00 1.13 4.81 -1.19 -0.62 114.58 120.69 1s1m h GLU 129 Ca 0.46 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.48 1s1m h GLU 129 Cb 0.39 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1s1m h GLU 129 CO -0.22 0.71 -0.68 0.78 -0.73 0.00 0.00 179.01 178.87 1s1m h GLY 130 N 1.02 0.00 -0.53 1.92 0.00 -0.02 -3.27 103.07 102.19 1s1m h GLY 130 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1s1m h GLY 130 CO -0.04 0.00 -0.32 0.61 0.00 0.00 0.00 176.54 176.79 1s1m n GLY 131 N 1.25 -0.16 2.49 4.60 0.00 -0.21 -4.94 105.19 108.22 1s1m n GLY 131 Ca -0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 1s1m n GLY 131 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s1m n GLU 132 N -0.16 0.00 -3.14 1.61 0.00 -0.27 -2.81 120.64 115.87 1s1m n GLU 132 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.24 1s1m n GLU 132 Cb 0.42 -1.07 0.00 0.00 0.00 0.00 0.00 31.44 30.79 1s1m n GLU 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1s1m n GLY 133 N 4.73 -1.24 3.08 8.31 0.00 -1.26 -5.07 105.19 113.74 1s1m n GLY 133 Ca 0.46 0.49 -0.07 0.00 0.00 0.00 0.00 46.02 46.90 1s1m n GLY 133 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s1m s HIS 134 N -3.03 0.50 0.04 1.61 3.76 -1.12 -5.06 115.29 111.99 1s1m s HIS 134 Ca 0.03 -1.01 -0.14 0.00 -0.15 0.00 0.00 55.06 53.79 1s1m s HIS 134 Cb -0.01 -0.37 -0.34 0.00 1.11 0.00 0.00 32.58 32.97 1s1m s HIS 134 CO 0.76 -0.36 1.03 -0.44 -0.85 0.00 0.00 174.74 174.89 1s1m h ASP 135 N 3.30 0.81 -3.54 1.40 3.32 -0.74 -3.39 116.42 117.58 1s1m h ASP 135 Ca -0.34 -0.85 -0.37 0.00 0.02 0.00 0.00 57.03 55.49 1s1m h ASP 135 Cb 1.15 -0.26 -0.33 0.00 0.22 0.00 0.00 39.33 40.10 1s1m h ASP 135 CO 0.63 1.66 -0.76 -0.69 -1.72 0.00 0.00 179.24 178.36 1s1m s VAL 136 N -2.67 0.39 -0.20 -1.35 1.01 -1.06 -0.92 120.40 115.60 1s1m s VAL 136 Ca -0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1s1m s VAL 136 Cb 0.05 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 36.02 1s1m s VAL 136 CO 0.94 0.18 -0.15 -0.69 0.00 0.00 0.00 175.10 175.38 1s1m s VAL 137 N 0.78 2.46 -0.27 2.92 1.01 0.22 -1.85 120.40 125.67 1s1m s VAL 137 Ca -0.09 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 1s1m s VAL 137 Cb -0.12 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1s1m s VAL 137 CO -0.00 0.46 0.46 -0.76 0.00 0.00 0.00 175.10 175.26 1s1m s LEU 138 N 1.33 4.06 -0.43 3.92 1.02 -0.26 -0.91 118.68 127.42 1s1m s LEU 138 Ca 0.04 0.40 -0.09 0.00 0.02 0.00 0.00 54.13 54.50 1s1m s LEU 138 Cb -0.14 -2.57 0.09 0.00 0.02 0.00 0.00 46.19 43.59 1s1m s LEU 138 CO -0.10 -0.26 0.27 -0.69 0.02 0.00 0.00 176.35 175.60 1s1m s VAL 139 N 2.22 4.18 -0.21 -1.59 1.01 0.44 -0.22 120.40 126.22 1s1m s VAL 139 Ca 0.19 -1.50 -0.20 0.00 0.00 0.00 0.00 61.98 60.46 1s1m s VAL 139 Cb -0.16 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1s1m s VAL 139 CO 0.10 -0.56 0.60 -0.70 0.00 0.00 0.00 175.10 174.53 1s1m s GLU 140 N 1.40 4.18 -0.30 2.72 2.12 -0.01 0.90 118.70 129.71 1s1m s GLU 140 Ca 0.04 0.54 -0.17 0.00 0.36 0.00 0.00 54.97 55.73 1s1m s GLU 140 Cb -0.24 -3.59 -0.02 0.00 0.26 0.00 0.00 34.13 30.54 1s1m s GLU 140 CO 0.01 -0.26 0.49 0.42 -0.54 0.00 0.00 175.26 175.38 1s1m s ILE 141 N 1.98 5.07 0.91 -3.70 -1.09 0.13 -1.73 121.20 122.78 1s1m s ILE 141 Ca 0.27 0.60 -0.12 0.00 -2.23 0.00 0.00 60.65 59.17 1s1m s ILE 141 Cb -0.16 -3.86 0.14 0.00 -1.58 0.00 0.00 42.46 37.00 1s1m s ILE 141 CO 0.10 -0.03 1.09 -0.83 -1.23 0.00 0.00 174.94 174.04 1s1m s GLY 142 N 1.65 1.61 0.00 6.18 0.00 0.14 -4.55 107.32 112.35 1s1m s GLY 142 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.81 1s1m s GLY 142 CO 0.11 0.40 0.00 0.61 0.00 0.00 0.00 173.10 174.22 1s1m n GLY 143 N -1.10 -1.02 3.42 0.20 0.00 -1.26 -4.60 105.19 100.82 1s1m n GLY 143 Ca 0.07 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 1s1m n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s1m s THR 144 N -1.13 3.43 0.17 2.61 2.01 -1.26 -4.45 115.64 117.02 1s1m s THR 144 Ca 0.00 -0.52 -0.33 0.00 0.31 0.00 0.00 61.69 61.15 1s1m s THR 144 Cb 0.00 -2.48 -0.15 0.00 0.01 0.00 0.00 72.50 69.88 1s1m s THR 144 CO 0.00 0.50 1.37 0.52 -0.69 0.00 0.00 174.62 176.32 1s1m n VAL 145 N 3.65 0.53 0.00 3.82 0.31 -0.19 -1.67 118.33 124.77 1s1m n VAL 145 Ca -0.18 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1s1m n VAL 145 Cb 0.52 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1s1m n VAL 145 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s1m n GLY 146 N 2.47 0.43 3.94 2.92 0.00 -1.26 -4.69 105.19 109.00 1s1m n GLY 146 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1s1m n GLY 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s1m s ASP 147 N -2.01 6.12 0.15 1.61 1.01 -0.67 -5.00 116.67 117.88 1s1m s ASP 147 Ca 0.00 0.43 -0.05 0.00 0.71 0.00 0.00 52.55 53.64 1s1m s ASP 147 Cb 0.00 -1.87 -0.02 0.00 1.01 0.00 0.00 42.92 42.05 1s1m s ASP 147 CO 0.00 -0.47 1.38 -0.29 0.21 0.00 0.00 175.17 176.00 1s1m h ILE 148 N 0.57 1.35 -0.90 0.77 2.10 -1.98 -3.32 117.51 116.11 1s1m h ILE 148 Ca -0.48 -2.13 0.15 0.00 1.08 0.00 0.00 64.86 63.48 1s1m h ILE 148 Cb 1.23 2.11 -0.07 0.00 -1.09 0.00 0.00 36.82 39.00 1s1m h ILE 148 CO 0.60 0.65 0.58 -0.33 -1.08 0.00 0.00 178.15 178.56 1s1m h GLU 149 N 0.34 0.64 -0.15 2.19 4.39 -1.93 -2.60 114.58 117.47 1s1m h GLU 149 Ca -0.04 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1s1m h GLU 149 Cb 1.36 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1s1m h GLU 149 CO 0.14 0.42 0.00 -1.13 -1.16 0.00 0.00 179.01 177.28 1s1m n SER 150 N -4.57 2.83 -0.16 1.42 3.41 -1.25 -4.61 113.62 110.69 1s1m n SER 150 Ca 0.18 -1.91 -0.06 0.00 -0.26 0.00 0.00 58.87 56.82 1s1m n SER 150 Cb 0.50 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1s1m n SER 150 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1s1m h LEU 151 N 4.11 -1.05 -0.47 1.04 3.38 -1.61 -2.03 115.31 118.69 1s1m h LEU 151 Ca 0.00 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.23 1s1m h LEU 151 Cb 0.89 0.52 -0.05 0.00 0.09 0.00 0.00 40.66 42.10 1s1m h LEU 151 CO 0.00 -0.30 0.17 1.55 0.09 0.00 0.00 178.44 179.95 1s1m h PRO 152 N -0.19 0.34 -0.74 1.13 0.13 -1.83 0.87 132.00 131.71 1s1m h PRO 152 Ca 0.21 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.33 1s1m h PRO 152 Cb 0.53 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.55 1s1m h PRO 152 CO -0.60 0.23 0.49 0.74 -0.23 0.00 0.00 178.00 178.62 1s1m h PHE 153 N 0.35 0.93 -0.61 1.56 0.05 -1.77 -0.73 116.94 116.72 1s1m h PHE 153 Ca 0.22 0.02 -0.10 0.00 3.82 0.00 0.00 57.97 61.94 1s1m h PHE 153 Cb 0.22 -0.31 -0.02 0.00 2.00 0.00 0.00 35.95 37.83 1s1m h PHE 153 CO -0.15 0.58 0.00 -0.07 -0.18 0.00 0.00 178.31 178.49 1s1m h LEU 154 N 0.99 1.05 -0.53 1.54 3.38 -0.82 -1.61 115.31 119.32 1s1m h LEU 154 Ca 0.28 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1s1m h LEU 154 Cb -0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 1s1m h LEU 154 CO -0.07 1.10 0.04 -0.08 0.09 0.00 0.00 178.44 179.52 1s1m h GLU 155 N 0.98 0.91 0.08 1.13 4.57 -0.46 -1.53 114.58 120.26 1s1m h GLU 155 Ca 0.17 -0.27 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1s1m h GLU 155 Cb 0.56 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1s1m h GLU 155 CO 0.03 0.91 -0.05 0.00 -1.18 0.00 0.00 179.01 178.72 1s1m h ALA 156 N 0.96 -0.12 0.00 2.92 0.00 -1.03 -1.28 119.26 120.71 1s1m h ALA 156 Ca 0.15 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1s1m h ALA 156 Cb 0.48 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1s1m h ALA 156 CO 0.02 -0.57 -0.32 -0.84 0.00 0.00 0.00 179.25 177.53 1s1m h ILE 157 N -0.13 1.14 -0.10 0.00 3.07 -1.28 -1.42 117.51 118.78 1s1m h ILE 157 Ca -0.00 -1.14 0.00 0.00 1.55 0.00 0.00 64.86 65.27 1s1m h ILE 157 Cb 0.12 1.63 -0.01 0.00 -0.27 0.00 0.00 36.82 38.30 1s1m h ILE 157 CO -0.00 0.32 0.06 -0.09 -1.05 0.00 0.00 178.15 177.39 1s1m h ARG 158 N 0.00 0.13 -0.12 0.16 2.43 -0.76 -1.56 114.38 114.66 1s1m h ARG 158 Ca -0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1s1m h ARG 158 Cb 0.61 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1s1m h ARG 158 CO 0.04 0.08 -0.08 1.96 -1.51 0.00 0.00 179.97 180.47 1s1m h GLN 159 N 0.13 -0.08 -0.40 0.20 4.20 -0.91 -0.75 115.11 117.51 1s1m h GLN 159 Ca 0.04 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.83 1s1m h GLN 159 Cb -0.01 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.71 1s1m h GLN 159 CO -0.01 -0.05 -0.12 0.52 -0.67 0.00 0.00 178.83 178.50 1s1m h MET 160 N -0.08 -0.03 -0.33 1.46 2.86 -0.99 1.39 114.93 119.22 1s1m h MET 160 Ca 0.07 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1s1m h MET 160 Cb 0.19 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1s1m h MET 160 CO -0.17 -0.02 0.09 0.00 1.06 0.00 0.00 176.91 177.88 1s1m h ALA 161 N 1.35 0.37 -0.16 6.32 0.00 -1.01 1.40 119.26 127.51 1s1m h ALA 161 Ca 0.19 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1s1m h ALA 161 Cb 0.32 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1s1m h ALA 161 CO -0.42 -0.31 0.08 0.28 0.00 0.00 0.00 179.25 178.88 1s1m h VAL 162 N 0.22 1.12 0.71 0.00 2.07 0.14 1.28 116.25 121.80 1s1m h VAL 162 Ca 0.15 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1s1m h VAL 162 Cb 0.15 1.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1s1m h VAL 162 CO -0.18 0.11 -0.34 -0.08 0.02 0.00 0.00 177.57 177.10 1s1m h GLU 163 N 0.14 -0.92 -0.13 1.57 4.57 0.27 -3.24 114.58 116.82 1s1m h GLU 163 Ca 0.06 0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.21 1s1m h GLU 163 Cb 0.11 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1s1m h GLU 163 CO -0.01 -0.60 -0.31 0.82 -1.18 0.00 0.00 179.01 177.73 1s1m h ILE 164 N -1.03 1.27 0.00 2.32 2.04 0.19 -3.50 117.51 118.80 1s1m h ILE 164 Ca -0.10 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.47 1s1m h ILE 164 Cb 0.75 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1s1m h ILE 164 CO 0.16 0.39 0.00 0.61 0.00 0.00 0.00 178.15 179.31 1s1m n GLY 165 N -0.40 -0.41 0.00 5.37 0.00 0.44 -4.61 105.19 105.59 1s1m n GLY 165 Ca -0.01 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.43 1s1m n GLY 165 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1s1m n ARG 166 N -0.19 0.42 0.14 1.61 1.85 -1.26 -2.74 116.66 116.49 1s1m n ARG 166 Ca 0.00 0.04 0.03 0.00 -1.00 0.00 0.00 57.85 56.92 1s1m n ARG 166 Cb 0.00 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 29.94 1s1m n ARG 166 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1s1m h GLU 167 N 0.00 0.00 0.00 2.89 4.39 -1.87 -3.35 114.58 116.63 1s1m h GLU 167 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s1m h GLU 167 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1s1m h GLU 167 CO 0.00 0.44 -0.18 0.72 -1.16 0.00 0.00 179.01 178.83 1s1m n HIS 168 N -3.18 0.00 -4.21 4.33 8.25 -1.12 -4.32 115.22 114.97 1s1m n HIS 168 Ca 0.01 -0.37 -0.16 0.00 -0.26 0.00 0.00 57.72 56.94 1s1m n HIS 168 Cb 0.72 -0.07 -0.14 0.00 1.12 0.00 0.00 29.99 31.62 1s1m n HIS 168 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1s1m s THR 169 N -0.99 0.51 -0.03 1.59 -4.23 -1.11 -0.71 115.64 110.67 1s1m s THR 169 Ca 0.09 -0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 60.20 1s1m s THR 169 Cb 0.08 -0.44 0.01 0.00 1.34 0.00 0.00 72.50 73.49 1s1m s THR 169 CO 0.01 0.10 0.16 -0.76 -0.54 0.00 0.00 174.62 173.59 1s1m s LEU 170 N -0.26 1.44 -0.17 4.79 1.43 -0.63 -4.67 118.68 120.63 1s1m s LEU 170 Ca 0.02 0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1s1m s LEU 170 Cb -0.03 0.64 -0.02 0.00 0.03 0.00 0.00 46.19 46.82 1s1m s LEU 170 CO -0.00 -0.22 -0.07 -0.36 0.23 0.00 0.00 176.35 175.93 1s1m s PHE 171 N -0.68 2.94 -0.22 0.29 0.40 -1.26 -0.34 117.98 119.10 1s1m s PHE 171 Ca -0.08 -0.57 -0.01 0.00 -0.60 0.00 0.00 56.93 55.67 1s1m s PHE 171 Cb -0.05 -1.96 0.02 0.00 0.51 0.00 0.00 43.02 41.54 1s1m s PHE 171 CO 0.01 -0.23 -0.10 1.41 0.70 0.00 0.00 175.22 177.01 1s1m s MET 172 N 0.66 2.99 -0.14 0.44 1.75 0.68 -1.35 119.30 124.33 1s1m s MET 172 Ca -0.04 -0.86 0.03 0.00 -1.25 0.00 0.00 55.69 53.56 1s1m s MET 172 Cb -0.15 -2.87 0.01 0.00 2.84 0.00 0.00 34.83 34.66 1s1m s MET 172 CO 0.02 -0.30 -0.22 -1.58 -0.65 0.00 0.00 175.02 172.29 1s1m s HIS 173 N 1.34 2.64 0.10 4.11 5.04 0.04 -0.67 115.29 127.89 1s1m s HIS 173 Ca 0.03 -1.32 -0.15 0.00 -1.54 0.00 0.00 55.06 52.07 1s1m s HIS 173 Cb -0.15 -1.80 -0.07 0.00 0.04 0.00 0.00 32.58 30.61 1s1m s HIS 173 CO -0.07 -0.60 0.51 -0.51 -2.34 0.00 0.00 174.74 171.73 1s1m s LEU 174 N 0.80 4.41 0.03 8.88 1.02 0.16 -1.33 118.68 132.66 1s1m s LEU 174 Ca -0.07 1.07 -0.14 0.00 0.02 0.00 0.00 54.13 55.00 1s1m s LEU 174 Cb -0.16 -3.03 0.02 0.00 0.02 0.00 0.00 46.19 43.04 1s1m s LEU 174 CO -0.02 0.19 0.31 0.28 0.02 0.00 0.00 176.35 177.13 1s1m s THR 175 N -1.31 0.08 -0.11 5.49 -1.32 -0.78 0.33 115.64 118.02 1s1m s THR 175 Ca 0.33 -0.62 -0.20 0.00 -1.21 0.00 0.00 61.69 59.98 1s1m s THR 175 Cb -0.16 -0.87 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 1s1m s THR 175 CO 0.18 -0.34 0.56 -0.22 -2.21 0.00 0.00 174.62 172.59 1s1m s LEU 176 N -1.89 4.28 -0.50 9.08 2.96 -1.25 -1.43 118.68 129.92 1s1m s LEU 176 Ca -0.07 0.94 0.04 0.00 -0.22 0.00 0.00 54.13 54.82 1s1m s LEU 176 Cb -0.02 -2.84 0.13 0.00 0.50 0.00 0.00 46.19 43.96 1s1m s LEU 176 CO -0.02 -0.06 0.25 -0.69 -1.32 0.00 0.00 176.35 174.52 1s1m s VAL 177 N 0.76 2.45 0.83 1.68 1.01 0.11 -4.40 120.40 122.84 1s1m s VAL 177 Ca 0.30 -3.20 -0.12 0.00 0.00 0.00 0.00 61.98 58.96 1s1m s VAL 177 Cb -0.16 -2.71 0.10 0.00 0.00 0.00 0.00 36.38 33.61 1s1m s VAL 177 CO 0.13 -0.80 1.16 -2.84 0.00 0.00 0.00 175.10 172.75 1s1m s PRO 178 N -0.17 1.58 -0.17 2.72 0.02 -1.23 -4.39 135.00 133.36 1s1m s PRO 178 Ca 0.17 1.58 -0.01 0.00 0.02 0.00 0.00 61.00 62.76 1s1m s PRO 178 Cb -0.26 -1.79 -0.00 0.00 0.02 0.00 0.00 34.50 32.47 1s1m s PRO 178 CO -0.00 -2.22 -0.13 -0.47 -0.33 0.00 0.00 177.00 173.85 1s1m s TYR 179 N -2.44 2.83 -0.56 6.54 5.04 -1.26 -1.78 117.35 125.72 1s1m s TYR 179 Ca 0.69 -0.99 -0.19 0.00 -2.44 0.00 0.00 57.07 54.13 1s1m s TYR 179 Cb -0.24 -1.93 0.08 0.00 0.35 0.00 0.00 41.96 40.21 1s1m s TYR 179 CO 0.53 -0.47 0.70 -1.64 -1.34 0.00 0.00 175.55 173.33 1s1m s MET 180 N 0.91 3.10 0.34 4.97 -1.94 0.20 -4.89 119.30 121.99 1s1m s MET 180 Ca -0.03 -1.04 0.07 0.00 -1.71 0.00 0.00 55.69 52.98 1s1m s MET 180 Cb -0.15 -4.18 0.76 0.00 2.01 0.00 0.00 34.83 33.27 1s1m s MET 180 CO -0.01 -1.41 1.87 0.00 -0.01 0.00 0.00 175.02 175.46 1s1m h ALA 181 N 9.13 1.76 -3.00 3.03 0.00 -1.93 0.89 119.26 129.13 1s1m h ALA 181 Ca -0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1s1m h ALA 181 Cb 1.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1s1m h ALA 181 CO 1.04 0.01 0.00 0.00 0.00 0.00 0.00 179.25 180.31 1s1m n ALA 182 N -2.42 0.00 0.07 0.00 0.00 -1.26 -2.95 120.51 113.95 1s1m n ALA 182 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.63 1s1m n ALA 182 Cb 0.42 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.99 1s1m n ALA 182 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1s1m n SER 183 N 0.00 0.12 -1.74 0.00 3.41 -1.23 -4.70 113.62 109.47 1s1m n SER 183 Ca 0.00 0.35 -0.17 0.00 -0.26 0.00 0.00 58.87 58.78 1s1m n SER 183 Cb 0.00 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 1s1m n SER 183 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s1m n GLY 184 N -1.25 0.41 3.59 5.00 0.00 0.30 -4.96 105.19 108.27 1s1m n GLY 184 Ca -0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1s1m n GLY 184 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s1m s GLU 185 N -4.36 1.92 -0.22 1.61 -1.05 -0.75 -4.87 118.70 110.98 1s1m s GLU 185 Ca 0.00 -2.12 -0.07 0.00 -0.15 0.00 0.00 54.97 52.63 1s1m s GLU 185 Cb 0.00 -1.31 -0.03 0.00 -0.44 0.00 0.00 34.13 32.35 1s1m s GLU 185 CO 0.00 -0.19 0.06 0.54 0.95 0.00 0.00 175.26 176.62 1s1m s VAL 186 N -2.95 4.41 -0.41 1.83 0.11 -1.26 0.59 120.40 122.71 1s1m s VAL 186 Ca 0.29 -0.15 -0.23 0.00 -2.93 0.00 0.00 61.98 58.96 1s1m s VAL 186 Cb 0.07 -3.03 0.02 0.00 -1.53 0.00 0.00 36.38 31.91 1s1m s VAL 186 CO 0.14 0.39 0.76 -0.54 -3.33 0.00 0.00 175.10 172.51 1s1m s LYS 187 N 1.15 3.53 0.00 1.54 -0.14 -0.73 -4.92 119.74 120.17 1s1m s LYS 187 Ca 0.04 0.01 0.23 0.00 -1.36 0.00 0.00 55.97 54.89 1s1m s LYS 187 Cb -0.14 -3.89 0.46 0.00 -1.68 0.00 0.00 37.83 32.58 1s1m s LYS 187 CO 0.03 -0.99 1.42 0.25 -0.76 0.00 0.00 175.35 175.30 1s1m n THR 188 N 5.96 0.48 -0.01 2.17 -2.24 -1.26 -3.51 114.28 115.87 1s1m n THR 188 Ca 0.02 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 60.97 1s1m n THR 188 Cb 0.48 0.90 -0.07 0.00 -2.10 0.00 0.00 70.33 69.54 1s1m n THR 188 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1s1m h LYS 189 N 4.23 0.10 -0.75 -0.78 1.63 -1.93 -2.77 116.57 116.28 1s1m h LYS 189 Ca 0.00 -0.02 0.17 0.00 -0.85 0.00 0.00 60.65 59.95 1s1m h LYS 189 Cb 0.93 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.50 1s1m h LYS 189 CO 0.00 0.29 0.51 -1.35 -3.45 0.00 0.00 179.45 175.45 1s1m h PRO 190 N -0.11 0.29 -0.05 1.90 0.11 -1.86 0.33 132.00 132.61 1s1m h PRO 190 Ca 0.02 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1s1m h PRO 190 Cb 0.24 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 1s1m h PRO 190 CO 0.00 0.19 0.01 1.15 -0.21 0.00 0.00 178.00 179.14 1s1m h THR 191 N 0.30 1.17 0.44 -1.15 2.02 -1.73 0.42 112.91 114.37 1s1m h THR 191 Ca 0.37 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1s1m h THR 191 Cb 1.02 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1s1m h THR 191 CO -0.10 0.14 -0.33 1.56 0.37 0.00 0.00 175.52 177.15 1s1m h GLN 192 N -0.12 -0.74 -0.54 6.66 4.20 -0.39 2.32 115.11 126.51 1s1m h GLN 192 Ca 0.01 0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.86 1s1m h GLN 192 Cb 0.21 0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.09 1s1m h GLN 192 CO -0.00 -0.49 0.17 0.45 -0.67 0.00 0.00 178.83 178.29 1s1m h HIS 193 N -0.76 0.30 -0.29 2.96 3.86 -0.42 0.22 115.15 121.01 1s1m h HIS 193 Ca -0.04 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1s1m h HIS 193 Cb 0.65 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1s1m h HIS 193 CO -0.15 0.07 0.17 1.03 0.86 0.00 0.00 177.93 179.91 1s1m h SER 194 N 0.34 0.36 -0.26 2.45 0.87 0.64 -1.54 113.55 116.42 1s1m h SER 194 Ca 0.27 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1s1m h SER 194 Cb 0.33 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1s1m h SER 194 CO -0.29 0.33 0.14 0.58 -0.53 0.00 0.00 176.83 177.06 1s1m h VAL 195 N 0.37 1.10 -0.02 2.23 2.07 0.48 -2.05 116.25 120.44 1s1m h VAL 195 Ca 0.10 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 1s1m h VAL 195 Cb 0.04 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1s1m h VAL 195 CO -0.02 0.12 -0.54 0.07 0.02 0.00 0.00 177.57 177.22 1s1m h LYS 196 N 0.41 0.06 0.00 1.57 2.10 0.19 -2.49 116.57 118.41 1s1m h LYS 196 Ca 0.10 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 1s1m h LYS 196 Cb 0.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1s1m h LYS 196 CO -0.02 0.58 -0.05 0.93 -2.00 0.00 0.00 179.45 178.90 1s1m h GLU 197 N 0.05 0.00 -0.09 0.07 4.39 -0.56 -1.09 114.58 117.35 1s1m h GLU 197 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1s1m h GLU 197 Cb 0.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1s1m h GLU 197 CO 0.07 0.05 -0.21 -0.07 -1.16 0.00 0.00 179.01 177.69 1s1m h LEU 198 N 0.00 0.35 -0.41 1.33 3.38 -1.37 -2.94 115.31 115.65 1s1m h LEU 198 Ca -0.00 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.43 1s1m h LEU 198 Cb 0.10 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1s1m h LEU 198 CO 0.01 0.85 0.20 -0.07 0.09 0.00 0.00 178.44 179.52 1s1m h LEU 199 N -0.15 0.28 -2.03 1.67 3.38 -0.61 0.41 115.31 118.27 1s1m h LEU 199 Ca 0.00 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1s1m h LEU 199 Cb 0.80 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1s1m h LEU 199 CO 0.05 0.20 0.37 0.77 0.09 0.00 0.00 178.44 179.92 1s1m h SER 200 N 0.40 0.00 -0.16 -0.43 4.64 -1.25 0.74 113.55 117.49 1s1m h SER 200 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1s1m h SER 200 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1s1m h SER 200 CO -0.13 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.13 1s1m n ILE 201 N -3.45 0.22 -0.24 0.95 -6.64 0.13 -4.96 119.36 105.36 1s1m n ILE 201 Ca 0.04 -0.61 0.00 0.00 -1.77 0.00 0.00 62.75 60.41 1s1m n ILE 201 Cb 0.50 1.23 0.00 0.00 -1.44 0.00 0.00 39.64 39.93 1s1m n ILE 201 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1s1m n GLY 202 N 1.22 0.77 3.51 3.28 0.00 0.26 -4.93 105.19 109.30 1s1m n GLY 202 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1s1m n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s1m s ILE 203 N -2.20 3.63 -0.27 -0.61 1.01 -0.17 -4.94 121.20 117.65 1s1m s ILE 203 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1s1m s ILE 203 Cb 0.00 -2.52 0.07 0.00 0.01 0.00 0.00 42.46 40.01 1s1m s ILE 203 CO 0.00 0.55 -0.08 -1.58 0.00 0.00 0.00 174.94 173.83 1s1m s GLN 204 N -0.21 2.07 0.52 2.79 2.00 -1.26 -1.79 119.66 123.78 1s1m s GLN 204 Ca 0.03 -1.39 -0.21 0.00 -2.00 0.00 0.00 55.36 51.78 1s1m s GLN 204 Cb -0.13 -2.90 -0.07 0.00 0.80 0.00 0.00 33.01 30.71 1s1m s GLN 204 CO 0.03 -0.63 1.05 -0.35 -0.50 0.00 0.00 175.29 174.89 1s1m n PRO 205 N 4.43 1.23 -0.05 1.67 -0.04 -1.26 -4.86 135.00 136.11 1s1m n PRO 205 Ca -0.11 0.46 -0.01 0.00 -0.04 0.00 0.00 63.50 63.79 1s1m n PRO 205 Cb 0.42 -2.20 -0.14 0.00 -0.04 0.00 0.00 33.50 31.54 1s1m n PRO 205 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1s1m n ASP 206 N -0.31 0.79 -3.82 3.54 8.00 -0.46 -4.68 116.55 119.61 1s1m n ASP 206 Ca 0.11 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.49 1s1m n ASP 206 Cb 0.44 1.29 -0.12 0.00 -0.02 0.00 0.00 41.12 42.71 1s1m n ASP 206 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1s1m s ILE 207 N -2.76 0.02 -0.07 0.53 1.01 -0.84 -4.58 121.20 114.50 1s1m s ILE 207 Ca -0.08 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.49 1s1m s ILE 207 Cb 0.08 -0.29 -0.00 0.00 0.01 0.00 0.00 42.46 42.26 1s1m s ILE 207 CO 0.73 -0.07 -0.22 -0.76 0.00 0.00 0.00 174.94 174.62 1s1m s LEU 208 N -0.18 2.00 -0.43 2.97 1.43 0.27 -0.78 118.68 123.95 1s1m s LEU 208 Ca -0.03 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 52.51 1s1m s LEU 208 Cb -0.02 -1.23 0.08 0.00 0.03 0.00 0.00 46.19 45.04 1s1m s LEU 208 CO 0.01 0.18 0.29 -0.63 0.23 0.00 0.00 176.35 176.42 1s1m s ILE 209 N 0.11 4.38 -0.50 -0.59 -1.09 -0.44 0.28 121.20 123.35 1s1m s ILE 209 Ca -0.09 -1.38 -0.21 0.00 -2.23 0.00 0.00 60.65 56.73 1s1m s ILE 209 Cb -0.15 -3.69 0.04 0.00 -1.58 0.00 0.00 42.46 37.09 1s1m s ILE 209 CO 0.05 -0.54 0.74 0.00 -1.23 0.00 0.00 174.94 173.96 1s1m s ARG 211 N 3.12 4.25 0.33 0.00 1.81 -0.51 0.17 118.95 128.12 1s1m s ARG 211 Ca 0.22 0.62 0.02 0.00 -1.72 0.00 0.00 55.73 54.87 1s1m s ARG 211 Cb -0.16 -3.55 -0.01 0.00 -0.45 0.00 0.00 34.95 30.78 1s1m s ARG 211 CO 0.16 -0.16 0.37 -1.54 -0.68 0.00 0.00 175.30 173.46 1s1m s SER 212 N 1.09 1.17 0.00 0.23 1.04 -1.22 0.06 113.70 116.07 1s1m s SER 212 Ca 0.29 -1.59 0.26 0.00 0.48 0.00 0.00 55.95 55.39 1s1m s SER 212 Cb -0.16 0.60 0.91 0.00 0.10 0.00 0.00 66.02 67.47 1s1m s SER 212 CO 0.11 -1.17 1.66 -0.90 0.98 0.00 0.00 173.24 173.93 1s1m n ASP 213 N -1.38 1.65 -3.82 7.02 5.75 -1.26 -2.38 116.55 122.14 1s1m n ASP 213 Ca 0.04 -1.59 -0.09 0.00 -0.01 0.00 0.00 54.79 53.14 1s1m n ASP 213 Cb 0.62 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.64 1s1m n ASP 213 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s1m s ARG 214 N -1.93 1.57 0.31 0.11 1.70 -1.26 -4.37 118.95 115.08 1s1m s ARG 214 Ca 0.36 -0.97 -0.29 0.00 -0.47 0.00 0.00 55.73 54.36 1s1m s ARG 214 Cb 0.20 0.55 -0.11 0.00 -0.57 0.00 0.00 34.95 35.02 1s1m s ARG 214 CO 0.31 -0.69 1.45 0.00 -1.08 0.00 0.00 175.30 175.30 1s1m s ALA 215 N -3.91 3.61 -0.20 7.88 0.00 -1.26 -4.59 121.76 123.28 1s1m s ALA 215 Ca 0.12 1.43 -0.29 0.00 0.00 0.00 0.00 51.96 53.22 1s1m s ALA 215 Cb -0.03 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1s1m s ALA 215 CO 0.03 -0.86 1.09 0.08 0.00 0.00 0.00 175.76 176.09 1s1m s VAL 216 N -0.58 4.60 0.17 0.00 1.01 -1.26 -5.00 120.40 119.34 1s1m s VAL 216 Ca 0.56 1.92 -0.30 0.00 0.00 0.00 0.00 61.98 64.16 1s1m s VAL 216 Cb -0.44 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 31.62 1s1m s VAL 216 CO 0.52 -0.15 1.30 -2.16 0.00 0.00 0.00 175.10 174.62 1s1m s PRO 217 N 3.09 4.39 0.45 2.72 0.04 -1.26 -4.80 135.00 139.63 1s1m s PRO 217 Ca 0.47 2.02 0.41 0.00 0.04 0.00 0.00 61.00 63.93 1s1m s PRO 217 Cb -0.17 -3.22 1.42 0.00 0.04 0.00 0.00 34.50 32.57 1s1m s PRO 217 CO 0.10 -0.26 1.28 0.00 0.04 0.00 0.00 177.00 178.16 1s1m n ALA 218 N 2.91 1.54 -0.50 8.56 0.00 -1.26 0.79 120.51 132.55 1s1m n ALA 218 Ca 0.07 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1s1m n ALA 218 Cb 0.43 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1s1m n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1s1m n ASN 219 N -3.64 0.00 0.19 0.00 2.85 -1.26 -0.43 115.26 112.98 1s1m n ASN 219 Ca 0.37 0.75 0.18 0.00 -0.11 0.00 0.00 54.58 55.76 1s1m n ASN 219 Cb 1.64 -0.25 0.74 0.00 1.24 0.00 0.00 39.78 43.15 1s1m n ASN 219 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1s1m h GLU 220 N 0.00 0.00 0.13 1.20 3.07 0.01 -2.52 114.58 116.47 1s1m h GLU 220 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1s1m h GLU 220 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1s1m h GLU 220 CO 0.00 0.00 -0.06 0.00 -1.40 0.00 0.00 179.01 177.55 1s1m h ARG 221 N 0.00 -0.17 -0.94 2.33 3.08 -0.76 -2.63 114.38 115.30 1s1m h ARG 221 Ca 0.12 0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.45 1s1m h ARG 221 Cb 1.01 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.06 1s1m h ARG 221 CO -0.00 -0.11 0.76 0.00 -1.07 0.00 0.00 179.97 179.55 1s1m h ALA 222 N -1.56 2.82 0.50 0.04 0.00 -0.33 1.84 119.26 122.56 1s1m h ALA 222 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1s1m h ALA 222 Cb 0.13 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1s1m h ALA 222 CO 0.03 -1.24 -0.24 -0.22 0.00 0.00 0.00 179.25 177.58 1s1m h LYS 223 N 0.00 -0.64 -0.33 0.00 3.64 -1.54 -2.55 116.57 115.14 1s1m h LYS 223 Ca 0.44 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.92 1s1m h LYS 223 Cb 1.96 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 33.88 1s1m h LYS 223 CO -0.00 -0.39 0.04 0.82 -2.27 0.00 0.00 179.45 177.65 1s1m h ILE 224 N -0.76 0.80 -1.21 2.00 2.04 0.28 0.95 117.51 121.61 1s1m h ILE 224 Ca -0.07 -0.05 0.35 0.00 1.00 0.00 0.00 64.86 66.09 1s1m h ILE 224 Cb 0.55 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 1s1m h ILE 224 CO 0.11 0.03 0.83 0.00 0.00 0.00 0.00 178.15 179.12 1s1m h ALA 225 N 1.27 2.83 0.00 1.87 0.00 0.81 -3.17 119.26 122.86 1s1m h ALA 225 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1s1m h ALA 225 Cb 0.20 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1s1m h ALA 225 CO -0.23 -1.25 -0.11 1.28 0.00 0.00 0.00 179.25 178.93 1s1m n LEU 226 N -4.38 0.98 0.00 0.00 4.77 -0.50 -2.06 117.00 115.81 1s1m n LEU 226 Ca 0.28 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1s1m n LEU 226 Cb 1.21 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 1s1m n LEU 226 CO 0.33 -0.67 0.31 0.33 -1.33 0.00 0.00 177.39 176.35 1s1m n PHE 227 N -3.44 0.00 0.42 -1.77 7.35 0.32 -2.16 117.46 118.17 1s1m n PHE 227 Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 1s1m n PHE 227 Cb 0.06 -0.30 -0.00 0.00 0.35 0.00 0.00 39.48 39.58 1s1m n PHE 227 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s1m n ASN 229 N -0.26 1.89 0.00 0.00 3.02 -0.92 -4.84 115.26 114.16 1s1m n ASN 229 Ca 0.04 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 1s1m n ASN 229 Cb 0.20 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 1s1m n ASN 229 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1s1m n VAL 230 N -4.44 0.00 -2.95 2.41 0.31 -0.87 -4.90 118.33 107.89 1s1m n VAL 230 Ca -0.28 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 63.81 1s1m n VAL 230 Cb 0.60 -0.08 0.01 0.00 -0.91 0.00 0.00 33.84 33.45 1s1m n VAL 230 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1s1m s PRO 231 N -0.50 3.20 0.00 5.55 0.01 -0.90 -4.99 135.00 137.37 1s1m s PRO 231 Ca 0.00 -0.31 0.00 0.00 0.01 0.00 0.00 61.00 60.70 1s1m s PRO 231 Cb 0.00 -2.52 0.00 0.00 0.01 0.00 0.00 34.50 31.99 1s1m s PRO 231 CO 0.00 -0.22 0.00 -1.91 0.01 0.00 0.00 177.00 174.88 1s1m n GLU 232 N -2.10 0.00 -1.28 5.54 2.13 -1.26 -4.54 120.64 119.12 1s1m n GLU 232 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1s1m n GLU 232 Cb 0.57 0.00 0.12 0.00 0.27 0.00 0.00 31.44 32.40 1s1m n GLU 232 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1s1m n LYS 233 N 0.00 2.56 -0.38 5.31 0.00 -1.26 -4.51 118.16 119.88 1s1m n LYS 233 Ca 0.00 -3.70 0.07 0.00 -0.00 0.00 0.00 58.31 54.68 1s1m n LYS 233 Cb 0.00 -1.95 0.25 0.00 -0.00 0.00 0.00 35.03 33.33 1s1m n LYS 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s1m n ALA 234 N -0.93 2.76 -2.51 0.58 0.00 -1.26 -4.78 120.51 114.37 1s1m n ALA 234 Ca 0.32 -1.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.29 1s1m n ALA 234 Cb 0.84 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.21 1s1m n ALA 234 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1s1m s VAL 235 N -1.61 4.94 0.06 0.00 1.01 -1.26 0.96 120.40 124.50 1s1m s VAL 235 Ca 0.36 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.36 1s1m s VAL 235 Cb 0.22 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1s1m s VAL 235 CO 0.19 -0.50 -0.14 -0.63 0.00 0.00 0.00 175.10 174.02 1s1m s ILE 236 N 2.53 3.07 -0.14 2.22 -1.09 0.14 -4.97 121.20 122.96 1s1m s ILE 236 Ca 0.18 -1.20 -0.06 0.00 -2.23 0.00 0.00 60.65 57.35 1s1m s ILE 236 Cb -0.15 -2.35 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 1s1m s ILE 236 CO 0.16 0.25 0.08 -0.55 -1.23 0.00 0.00 174.94 173.66 1s1m s SER 237 N -1.74 5.85 -0.43 3.58 0.15 -1.26 0.11 113.70 119.96 1s1m s SER 237 Ca 0.17 0.25 0.03 0.00 0.70 0.00 0.00 55.95 57.10 1s1m s SER 237 Cb -0.11 -1.88 0.15 0.00 -1.71 0.00 0.00 66.02 62.47 1s1m s SER 237 CO 0.08 0.31 0.30 -0.22 1.20 0.00 0.00 173.24 174.92 1s1m s LEU 238 N -0.46 1.92 0.73 3.45 2.96 0.13 -4.83 118.68 122.58 1s1m s LEU 238 Ca 0.10 -2.82 -0.11 0.00 -0.22 0.00 0.00 54.13 51.08 1s1m s LEU 238 Cb -0.12 -0.68 0.03 0.00 0.50 0.00 0.00 46.19 45.92 1s1m s LEU 238 CO 0.02 -0.22 1.08 -1.59 -1.32 0.00 0.00 176.35 174.32 1s1m s LYS 239 N 0.23 2.60 -0.06 1.98 -2.85 -1.26 -3.41 119.74 116.98 1s1m s LYS 239 Ca 0.25 1.09 -0.30 0.00 -1.00 0.00 0.00 55.97 56.01 1s1m s LYS 239 Cb -0.10 -1.94 -0.05 0.00 -2.06 0.00 0.00 37.83 33.67 1s1m s LYS 239 CO -0.10 -1.37 1.62 -0.51 0.10 0.00 0.00 175.35 175.10 1s1m s ASP 240 N -3.50 6.69 0.41 0.03 1.01 -1.00 -4.93 116.67 115.39 1s1m s ASP 240 Ca 0.60 2.20 0.08 0.00 0.71 0.00 0.00 52.55 56.14 1s1m s ASP 240 Cb -0.16 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.23 1s1m s ASP 240 CO 0.54 -0.91 0.49 0.68 0.21 0.00 0.00 175.17 176.19 1s1m s VAL 241 N 3.93 2.93 -1.06 -1.27 -7.23 -1.26 -4.90 120.40 111.53 1s1m s VAL 241 Ca 0.72 -1.13 0.24 0.00 -1.81 0.00 0.00 61.98 60.00 1s1m s VAL 241 Cb -0.33 -3.02 -0.05 0.00 0.56 0.00 0.00 36.38 33.55 1s1m s VAL 241 CO 0.28 -0.01 1.27 -0.90 -0.31 0.00 0.00 175.10 175.43 1s1m n ASP 242 N -1.73 0.70 -3.67 4.85 5.68 -1.26 -4.85 116.55 116.28 1s1m n ASP 242 Ca 0.06 -0.53 -0.09 0.00 -0.50 0.00 0.00 54.79 53.73 1s1m n ASP 242 Cb 0.60 0.47 -0.10 0.00 -1.14 0.00 0.00 41.12 40.95 1s1m n ASP 242 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1s1m s SER 243 N -2.96 -0.33 0.60 -1.12 0.15 -1.26 -5.00 113.70 103.77 1s1m s SER 243 Ca 0.11 0.98 0.39 0.00 0.70 0.00 0.00 55.95 58.13 1s1m s SER 243 Cb 0.17 1.22 1.94 0.00 -1.71 0.00 0.00 66.02 67.64 1s1m s SER 243 CO 0.74 -0.22 2.18 0.16 1.20 0.00 0.00 173.24 177.29 1s1m h ILE 244 N 6.00 0.00 0.00 6.45 3.07 -2.04 0.14 117.51 131.13 1s1m h ILE 244 Ca -0.21 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.00 1s1m h ILE 244 Cb 1.13 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.84 1s1m h ILE 244 CO 0.16 0.00 0.00 1.88 -1.05 0.00 0.00 178.15 179.14 1s1m h TYR 245 N 0.00 0.00 0.00 0.16 0.99 -1.97 -1.87 116.97 114.28 1s1m h TYR 245 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1s1m h TYR 245 Cb 0.20 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.93 1s1m h TYR 245 CO 0.00 0.00 -0.36 0.87 -0.00 0.00 0.00 178.16 178.67 1s1m h LYS 246 N 0.00 0.00 -0.39 4.88 1.57 -1.34 -3.40 116.57 117.89 1s1m h LYS 246 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1s1m h LYS 246 Cb 0.12 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.36 1s1m h LYS 246 CO 0.00 0.05 -0.10 0.82 -0.57 0.00 0.00 179.45 179.64 1s1m h ILE 247 N 0.00 0.59 -0.98 1.86 2.04 -1.48 -1.30 117.51 118.24 1s1m h ILE 247 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1s1m h ILE 247 Cb 1.05 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 1s1m h ILE 247 CO 0.01 0.00 0.64 -0.65 0.00 0.00 0.00 178.15 178.15 1s1m h PRO 248 N -0.01 1.21 -0.36 2.37 0.11 -1.78 0.26 132.00 133.79 1s1m h PRO 248 Ca 0.19 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 1s1m h PRO 248 Cb 0.30 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1s1m h PRO 248 CO -0.41 0.80 0.12 0.78 -0.21 0.00 0.00 178.00 179.09 1s1m h GLY 249 N 1.25 0.60 0.83 -0.55 0.00 -1.66 0.22 103.07 103.76 1s1m h GLY 249 Ca 0.39 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.41 1s1m h GLY 249 CO -0.12 0.32 0.47 1.41 0.00 0.00 0.00 176.54 178.63 1s1m h LEU 250 N 0.44 0.76 -0.22 3.11 3.38 -0.65 0.17 115.31 122.31 1s1m h LEU 250 Ca 0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 1s1m h LEU 250 Cb 0.23 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1s1m h LEU 250 CO -0.01 0.52 -0.45 -0.07 0.09 0.00 0.00 178.44 178.52 1s1m h LEU 251 N 0.91 0.77 -1.17 1.67 3.38 -0.75 -3.15 115.31 116.97 1s1m h LEU 251 Ca 0.31 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1s1m h LEU 251 Cb 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1s1m h LEU 251 CO -0.13 1.18 0.41 0.50 0.09 0.00 0.00 178.44 180.49 1s1m h LYS 252 N 0.40 0.98 -0.24 1.13 3.64 0.01 -1.95 116.57 120.54 1s1m h LYS 252 Ca 0.01 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1s1m h LYS 252 Cb 1.06 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1s1m h LYS 252 CO 0.10 0.71 0.16 0.66 -2.27 0.00 0.00 179.45 178.81 1s1m h SER 253 N 0.99 0.26 -0.15 4.20 4.64 -0.65 -0.88 113.55 121.96 1s1m h SER 253 Ca 0.26 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1s1m h SER 253 Cb -0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1s1m h SER 253 CO -0.04 0.19 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 1s1m n GLN 254 N -4.50 1.63 -1.06 4.77 6.02 -0.74 -4.94 117.38 118.55 1s1m n GLN 254 Ca 0.01 -0.94 -0.02 0.00 -0.01 0.00 0.00 57.00 56.03 1s1m n GLN 254 Cb 0.09 -1.37 -0.01 0.00 1.02 0.00 0.00 30.24 29.97 1s1m n GLN 254 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s1m n GLY 255 N 1.07 0.55 0.33 1.08 0.00 -0.34 -4.95 105.19 102.93 1s1m n GLY 255 Ca 0.15 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.75 1s1m n GLY 255 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s1m h LEU 256 N 0.00 0.67 -0.59 0.99 5.85 -1.77 -0.70 115.31 119.76 1s1m h LEU 256 Ca -0.04 0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.61 1s1m h LEU 256 Cb 0.21 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1s1m h LEU 256 CO 0.06 0.30 -0.53 -2.24 -0.34 0.00 0.00 178.44 175.69 1s1m h ASP 257 N 0.74 0.53 -0.30 1.25 2.03 -1.89 -0.12 116.42 118.65 1s1m h ASP 257 Ca 0.49 -0.28 -0.06 0.00 -0.73 0.00 0.00 57.03 56.45 1s1m h ASP 257 Cb 0.64 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 38.98 1s1m h ASP 257 CO -0.34 0.96 -0.04 0.44 -1.03 0.00 0.00 179.24 179.23 1s1m h ASP 258 N 0.37 0.55 -0.58 4.15 3.32 -1.76 1.12 116.42 123.59 1s1m h ASP 258 Ca 0.01 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 56.72 1s1m h ASP 258 Cb 1.06 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 1s1m h ASP 258 CO 0.10 0.76 0.38 0.22 -1.72 0.00 0.00 179.24 178.98 1s1m h TYR 259 N 0.33 0.72 0.78 4.55 3.20 -1.04 0.33 116.97 125.84 1s1m h TYR 259 Ca 0.08 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1s1m h TYR 259 Cb 0.51 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.54 1s1m h TYR 259 CO 0.05 0.46 -0.37 0.82 -1.64 0.00 0.00 178.16 177.47 1s1m h ILE 260 N 0.78 0.14 -0.94 1.81 2.04 -0.41 -1.33 117.51 119.60 1s1m h ILE 260 Ca 0.21 -0.14 0.13 0.00 1.00 0.00 0.00 64.86 66.06 1s1m h ILE 260 Cb -0.09 0.17 -0.09 0.00 -0.74 0.00 0.00 36.82 36.07 1s1m h ILE 260 CO -0.05 0.01 0.57 0.00 0.00 0.00 0.00 178.15 178.68 1s1m h LYS 262 N 0.87 0.07 -0.79 0.00 3.64 -0.14 0.30 116.57 120.51 1s1m h LYS 262 Ca 0.48 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.83 1s1m h LYS 262 Cb 0.54 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 1s1m h LYS 262 CO -0.29 0.04 0.37 -0.09 -2.27 0.00 0.00 179.45 177.22 1s1m h ARG 263 N 0.07 1.15 -0.02 1.90 9.65 -0.21 -1.66 114.38 125.25 1s1m h ARG 263 Ca 0.07 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1s1m h ARG 263 Cb 0.08 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 1s1m h ARG 263 CO -0.11 0.90 0.00 1.19 2.80 0.00 0.00 179.97 184.74 1s1m n PHE 264 N -4.35 0.03 -3.69 2.20 3.72 -0.76 -4.80 117.46 109.81 1s1m n PHE 264 Ca 0.07 -0.01 -0.22 0.00 -0.05 0.00 0.00 57.45 57.24 1s1m n PHE 264 Cb 0.14 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.73 1s1m n PHE 264 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1s1m n SER 265 N -0.49 -2.33 -4.61 4.37 7.64 0.24 -4.96 113.62 113.48 1s1m n SER 265 Ca 0.20 -0.76 -0.38 0.00 1.01 0.00 0.00 58.87 58.94 1s1m n SER 265 Cb 0.19 -4.26 -0.10 0.00 -1.01 0.00 0.00 64.21 59.03 1s1m n SER 265 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1s1m s LEU 266 N -6.78 4.04 -0.50 -3.43 1.43 0.81 -5.02 118.68 109.22 1s1m s LEU 266 Ca 0.16 0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 1s1m s LEU 266 Cb -0.08 -2.19 0.11 0.00 0.03 0.00 0.00 46.19 44.07 1s1m s LEU 266 CO 0.80 -0.06 0.44 0.21 0.23 0.00 0.00 176.35 177.97 1s1m s ASN 267 N 1.60 6.07 0.07 2.29 3.04 -1.26 -4.60 114.94 122.16 1s1m s ASN 267 Ca 0.09 -1.67 -0.07 0.00 0.04 0.00 0.00 52.86 51.25 1s1m s ASN 267 Cb -0.16 -2.16 -0.01 0.00 -1.54 0.00 0.00 41.25 37.39 1s1m s ASN 267 CO 0.10 -0.76 0.15 0.00 -3.04 0.00 0.00 177.10 173.55 1s1m n PRO 269 N 0.13 -0.77 -2.07 0.00 -0.04 -1.26 -4.94 135.00 126.05 1s1m n PRO 269 Ca -0.16 -0.18 -0.37 0.00 -0.04 0.00 0.00 63.50 62.76 1s1m n PRO 269 Cb 0.61 -2.09 0.02 0.00 -0.04 0.00 0.00 33.50 32.00 1s1m n PRO 269 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1s1m s GLU 270 N -4.12 3.27 0.04 0.54 2.12 -1.26 -4.65 118.70 114.65 1s1m s GLU 270 Ca 0.62 1.87 -0.30 0.00 0.36 0.00 0.00 54.97 57.51 1s1m s GLU 270 Cb -0.22 -2.14 -0.09 0.00 0.26 0.00 0.00 34.13 31.94 1s1m s GLU 270 CO 0.63 -0.97 1.96 0.00 -0.54 0.00 0.00 175.26 176.34 1s1m n ALA 271 N -1.13 1.61 -2.98 6.30 0.00 -1.26 -4.63 120.51 118.41 1s1m n ALA 271 Ca 0.11 0.23 -0.44 0.00 0.00 0.00 0.00 53.44 53.34 1s1m n ALA 271 Cb 0.48 -2.66 -0.04 0.00 0.00 0.00 0.00 19.45 17.23 1s1m n ALA 271 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1s1m s ASN 272 N 4.25 6.19 -0.21 0.00 3.04 -0.83 -4.90 114.94 122.47 1s1m s ASN 272 Ca 0.88 -1.21 0.10 0.00 0.04 0.00 0.00 52.86 52.67 1s1m s ASN 272 Cb -0.46 -2.34 0.64 0.00 -1.54 0.00 0.00 41.25 37.55 1s1m s ASN 272 CO 0.42 -1.22 1.53 0.18 -3.04 0.00 0.00 177.10 174.98 1s1m n LEU 273 N 6.83 4.96 -0.31 3.21 4.77 -1.26 -4.62 117.00 130.58 1s1m n LEU 273 Ca -0.07 -2.54 0.10 0.00 -0.03 0.00 0.00 56.01 53.47 1s1m n LEU 273 Cb 0.44 -0.67 0.27 0.00 -2.33 0.00 0.00 43.42 41.13 1s1m n LEU 273 CO 0.60 0.61 1.11 0.77 -1.33 0.00 0.00 177.39 179.15 1s1m h SER 274 N 2.82 0.55 -0.70 -1.43 4.64 -2.00 -0.76 113.55 116.68 1s1m h SER 274 Ca 0.08 0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.45 1s1m h SER 274 Cb 1.81 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.89 1s1m h SER 274 CO 0.47 0.18 0.25 -0.33 -0.87 0.00 0.00 176.83 176.53 1s1m h GLU 275 N 0.61 1.09 -0.21 4.77 5.08 -2.01 -1.73 114.58 122.18 1s1m h GLU 275 Ca 0.52 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1s1m h GLU 275 Cb 0.82 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1s1m h GLU 275 CO -0.41 0.91 0.05 -1.49 -1.00 0.00 0.00 179.01 177.07 1s1m h TRP 276 N 1.06 0.36 -0.78 4.33 4.06 -1.61 -1.91 115.95 121.45 1s1m h TRP 276 Ca 0.24 -0.04 0.12 0.00 2.06 0.00 0.00 58.89 61.26 1s1m h TRP 276 Cb 0.26 -0.10 -0.08 0.00 -1.00 0.00 0.00 29.16 28.24 1s1m h TRP 276 CO 0.02 0.46 0.38 0.93 -3.56 0.00 0.00 178.44 176.67 1s1m h GLU 277 N 0.15 0.57 -0.47 0.49 5.08 -0.88 0.12 114.58 119.65 1s1m h GLU 277 Ca 0.07 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1s1m h GLU 277 Cb 0.28 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1s1m h GLU 277 CO 0.00 0.38 0.23 1.96 -1.00 0.00 0.00 179.01 180.58 1s1m h GLN 278 N 0.59 0.67 -0.45 2.33 1.08 -0.98 0.11 115.11 118.45 1s1m h GLN 278 Ca 0.41 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.51 1s1m h GLN 278 Cb 0.52 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1s1m h GLN 278 CO -0.33 0.56 0.28 0.28 -0.95 0.00 0.00 178.83 178.67 1s1m h VAL 279 N 0.61 1.14 -0.25 -0.54 2.07 -0.53 0.21 116.25 118.95 1s1m h VAL 279 Ca 0.16 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1s1m h VAL 279 Cb 0.10 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1s1m h VAL 279 CO -0.02 0.14 0.15 0.40 0.02 0.00 0.00 177.57 178.26 1s1m h ILE 280 N 0.61 1.04 0.02 4.57 2.04 -0.38 -0.64 117.51 124.77 1s1m h ILE 280 Ca 0.16 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1s1m h ILE 280 Cb -0.02 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1s1m h ILE 280 CO -0.03 0.06 -0.02 0.15 0.00 0.00 0.00 178.15 178.31 1s1m h PHE 281 N 0.31 -0.04 -0.57 1.37 3.57 -0.26 -2.23 116.94 119.09 1s1m h PHE 281 Ca 0.10 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1s1m h PHE 281 Cb -0.01 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 1s1m h PHE 281 CO -0.07 -0.03 0.29 0.93 -2.23 0.00 0.00 178.31 177.20 1s1m h GLU 282 N -0.04 0.54 -1.01 1.11 5.08 -0.36 -1.94 114.58 117.96 1s1m h GLU 282 Ca 0.00 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1s1m h GLU 282 Cb 0.04 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 1s1m h GLU 282 CO -0.00 0.36 0.66 1.49 -1.00 0.00 0.00 179.01 180.52 1s1m h GLU 283 N 0.55 1.27 0.00 2.33 4.81 -0.86 -2.57 114.58 120.12 1s1m h GLU 283 Ca 0.25 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1s1m h GLU 283 Cb 0.17 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1s1m h GLU 283 CO -0.18 0.84 0.00 0.00 -0.73 0.00 0.00 179.01 178.95 1s1m h ALA 284 N 1.40 1.00 -2.17 2.92 0.00 -0.87 -3.37 119.26 118.17 1s1m h ALA 284 Ca 0.39 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.73 1s1m h ALA 284 Cb -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.31 1s1m h ALA 284 CO -0.11 0.00 -0.76 0.09 0.00 0.00 0.00 179.25 178.47 1s1m n ASN 285 N -2.97 3.78 -4.76 0.00 3.02 -0.78 -5.07 115.26 108.48 1s1m n ASN 285 Ca 0.03 -3.55 -0.34 0.00 -0.03 0.00 0.00 54.58 50.69 1s1m n ASN 285 Cb 0.42 -0.56 0.05 0.00 -0.61 0.00 0.00 39.78 39.07 1s1m n ASN 285 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1s1m s PRO 286 N -3.28 2.79 -0.01 3.52 0.04 -1.25 -4.92 135.00 131.90 1s1m s PRO 286 Ca 0.47 1.53 0.11 0.00 0.04 0.00 0.00 61.00 63.15 1s1m s PRO 286 Cb 0.30 -1.94 -0.14 0.00 0.04 0.00 0.00 34.50 32.76 1s1m s PRO 286 CO -0.13 -1.28 0.40 1.33 0.04 0.00 0.00 177.00 177.36 1s1m n VAL 287 N -2.21 0.00 -3.84 -0.36 0.24 0.36 -4.98 118.33 107.54 1s1m n VAL 287 Ca 0.11 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.34 62.09 1s1m n VAL 287 Cb 0.51 0.74 -0.00 0.00 -1.47 0.00 0.00 33.84 33.62 1s1m n VAL 287 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1s1m s SER 288 N -2.49 -0.14 0.11 -1.34 1.04 -1.18 -5.05 113.70 104.64 1s1m s SER 288 Ca 0.01 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 55.59 1s1m s SER 288 Cb 0.08 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.94 1s1m s SER 288 CO 0.47 -1.49 0.04 -1.83 0.98 0.00 0.00 173.24 171.41 1s1m s GLU 289 N -3.25 0.84 0.21 4.02 -1.05 -1.26 0.60 118.70 118.80 1s1m s GLU 289 Ca 0.13 -1.36 -0.05 0.00 -0.15 0.00 0.00 54.97 53.54 1s1m s GLU 289 Cb -0.06 0.24 -0.03 0.00 -0.44 0.00 0.00 34.13 33.84 1s1m s GLU 289 CO 0.09 -0.22 0.24 0.14 0.95 0.00 0.00 175.26 176.46 1s1m s VAL 290 N -4.01 0.01 -0.21 1.83 -7.23 0.55 -4.88 120.40 106.47 1s1m s VAL 290 Ca 0.19 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1s1m s VAL 290 Cb 0.08 -2.34 0.06 0.00 0.56 0.00 0.00 36.38 34.74 1s1m s VAL 290 CO -0.02 -0.05 0.00 -0.89 -0.31 0.00 0.00 175.10 173.83 1s1m s THR 291 N -4.10 0.89 -0.21 5.32 2.01 -1.26 0.46 115.64 118.76 1s1m s THR 291 Ca 0.32 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 1s1m s THR 291 Cb 0.04 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1s1m s THR 291 CO 0.10 -0.16 0.04 -0.63 -0.69 0.00 0.00 174.62 173.27 1s1m s ILE 292 N 1.69 4.24 -0.09 1.82 1.01 0.85 0.71 121.20 131.43 1s1m s ILE 292 Ca -0.03 -0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.20 1s1m s ILE 292 Cb -0.18 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1s1m s ILE 292 CO -0.07 0.40 0.64 -0.83 0.00 0.00 0.00 174.94 175.08 1s1m s GLY 293 N 1.11 2.51 -0.43 6.18 0.00 0.62 0.51 107.32 117.81 1s1m s GLY 293 Ca 0.03 0.02 -0.09 0.00 0.00 0.00 0.00 44.72 44.68 1s1m s GLY 293 CO 0.02 1.10 0.28 -0.29 0.00 0.00 0.00 173.10 174.22 1s1m s MET 294 N 0.88 2.59 -0.43 2.90 1.75 0.34 0.12 119.30 127.44 1s1m s MET 294 Ca 0.34 -1.52 -0.15 0.00 -1.25 0.00 0.00 55.69 53.11 1s1m s MET 294 Cb -0.17 -3.82 0.04 0.00 2.84 0.00 0.00 34.83 33.72 1s1m s MET 294 CO 0.15 -1.00 0.34 0.08 -0.65 0.00 0.00 175.02 173.94 1s1m s VAL 295 N 1.42 5.24 0.17 10.11 1.01 -0.09 0.18 120.40 138.44 1s1m s VAL 295 Ca 0.04 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 1s1m s VAL 295 Cb -0.24 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1s1m s VAL 295 CO 0.02 -0.42 0.42 0.61 0.00 0.00 0.00 175.10 175.72 1s1m n GLY 296 N 5.17 1.37 0.13 4.51 0.00 0.21 -4.05 105.19 112.53 1s1m n GLY 296 Ca -0.11 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 1s1m n GLY 296 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s1m n LYS 297 N -0.28 0.63 -0.01 1.61 2.85 -1.26 -1.25 118.16 120.44 1s1m n LYS 297 Ca -0.04 0.25 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 1s1m n LYS 297 Cb 0.29 -1.55 0.01 0.00 -0.65 0.00 0.00 35.03 33.13 1s1m n LYS 297 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1s1m n TYR 298 N -3.77 0.04 -0.07 5.58 0.53 -1.26 -4.37 117.16 113.84 1s1m n TYR 298 Ca -0.46 -0.02 0.15 0.00 -1.02 0.00 0.00 57.90 56.55 1s1m n TYR 298 Cb 0.93 -0.00 0.23 0.00 -1.03 0.00 0.00 39.34 39.47 1s1m n TYR 298 CO 0.00 0.00 0.00 -0.89 -1.02 0.00 0.00 176.86 174.95 1s1m n ILE 299 N -0.40 0.00 0.00 -0.72 2.08 -1.26 -2.56 119.36 116.49 1s1m n ILE 299 Ca 0.01 0.80 0.00 0.00 0.56 0.00 0.00 62.75 64.12 1s1m n ILE 299 Cb 0.03 -1.47 0.00 0.00 -0.75 0.00 0.00 39.64 37.45 1s1m n ILE 299 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1s1m n GLU 300 N -2.44 0.00 -2.13 0.38 4.71 -1.26 -4.45 120.64 115.45 1s1m n GLU 300 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.85 1s1m n GLU 300 Cb 0.95 -0.73 -0.03 0.00 -1.01 0.00 0.00 31.44 30.62 1s1m n GLU 300 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1s1m s LEU 301 N -0.49 3.97 0.18 -4.62 2.96 -1.06 -4.86 118.68 114.77 1s1m s LEU 301 Ca 0.00 1.70 -0.19 0.00 -0.22 0.00 0.00 54.13 55.42 1s1m s LEU 301 Cb 0.00 -3.53 0.12 0.00 0.50 0.00 0.00 46.19 43.28 1s1m s LEU 301 CO 0.00 -1.17 1.62 1.55 -1.32 0.00 0.00 176.35 177.03 1s1m h PRO 302 N 10.33 -0.12 0.00 0.98 0.13 -1.83 -0.79 132.00 140.70 1s1m h PRO 302 Ca -0.34 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1s1m h PRO 302 Cb 1.15 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1s1m h PRO 302 CO 0.99 -0.08 0.33 -0.25 -0.23 0.00 0.00 178.00 178.76 1s1m n ASP 303 N -5.40 0.12 0.24 1.44 10.43 -1.26 0.29 116.55 122.40 1s1m n ASP 303 Ca 0.03 0.34 0.06 0.00 2.57 0.00 0.00 54.79 57.80 1s1m n ASP 303 Cb 0.31 -0.30 0.55 0.00 1.84 0.00 0.00 41.12 43.52 1s1m n ASP 303 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1s1m h ALA 304 N 0.92 1.76 -0.20 2.24 0.00 -1.41 0.26 119.26 122.82 1s1m h ALA 304 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1s1m h ALA 304 Cb 0.66 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.25 1s1m h ALA 304 CO 0.00 0.16 -0.69 0.66 0.00 0.00 0.00 179.25 179.39 1s1m n TYR 305 N -4.35 0.72 -0.39 0.00 4.02 0.15 -3.43 117.16 113.88 1s1m n TYR 305 Ca -0.03 -1.57 -0.11 0.00 -0.01 0.00 0.00 57.90 56.19 1s1m n TYR 305 Cb 0.20 -0.26 -0.10 0.00 -0.02 0.00 0.00 39.34 39.17 1s1m n TYR 305 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1s1m h LYS 306 N 1.37 -0.02 -0.30 -0.72 1.63 -1.52 -0.15 116.57 116.85 1s1m h LYS 306 Ca 0.05 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 1s1m h LYS 306 Cb 1.27 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.89 1s1m h LYS 306 CO 0.20 -0.01 0.10 0.77 -3.45 0.00 0.00 179.45 177.05 1s1m h SER 307 N -0.02 0.39 -0.12 4.20 0.02 -1.90 -1.49 113.55 114.62 1s1m h SER 307 Ca 0.15 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1s1m h SER 307 Cb 0.40 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1s1m h SER 307 CO -0.88 0.38 -0.04 0.58 -1.14 0.00 0.00 176.83 175.73 1s1m h VAL 308 N 0.43 1.30 -0.43 2.27 2.07 -1.39 -0.45 116.25 120.06 1s1m h VAL 308 Ca 0.11 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1s1m h VAL 308 Cb 0.13 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1s1m h VAL 308 CO -0.01 0.30 0.16 0.40 0.02 0.00 0.00 177.57 178.44 1s1m h ILE 309 N -0.08 0.89 -0.79 4.57 2.04 -0.97 -0.54 117.51 122.63 1s1m h ILE 309 Ca 0.03 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1s1m h ILE 309 Cb 0.49 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1s1m h ILE 309 CO 0.02 0.06 0.50 -0.33 0.00 0.00 0.00 178.15 178.40 1s1m h GLU 310 N 0.34 1.06 0.00 2.37 4.39 -1.13 -1.01 114.58 120.60 1s1m h GLU 310 Ca 0.20 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1s1m h GLU 310 Cb 0.17 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1s1m h GLU 310 CO -0.19 0.73 -0.46 0.00 -1.16 0.00 0.00 179.01 177.92 1s1m h ALA 311 N 1.46 0.99 -0.20 3.43 0.00 -0.04 0.15 119.26 125.05 1s1m h ALA 311 Ca 0.29 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1s1m h ALA 311 Cb -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1s1m h ALA 311 CO -0.06 0.58 -0.35 -0.07 0.00 0.00 0.00 179.25 179.35 1s1m h LEU 312 N 0.00 0.65 -0.46 0.00 3.38 -0.45 -1.81 115.31 116.62 1s1m h LEU 312 Ca -0.00 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.48 1s1m h LEU 312 Cb 0.97 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1s1m h LEU 312 CO 0.06 1.06 0.19 0.11 0.09 0.00 0.00 178.44 179.95 1s1m h LYS 313 N 0.26 0.37 0.00 1.13 1.57 -0.85 0.31 116.57 119.35 1s1m h LYS 313 Ca 0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1s1m h LYS 313 Cb 0.94 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 1s1m h LYS 313 CO 0.08 0.24 -0.05 0.45 -0.57 0.00 0.00 179.45 179.61 1s1m h HIS 314 N 0.38 0.00 -0.49 -1.35 3.86 -0.85 -1.35 115.15 115.36 1s1m h HIS 314 Ca 0.21 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.30 1s1m h HIS 314 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1s1m h HIS 314 CO -0.14 0.05 -0.18 0.78 0.86 0.00 0.00 177.93 179.30 1s1m h GLY 315 N 0.24 1.06 0.97 2.45 0.00 -0.07 -2.55 103.07 105.16 1s1m h GLY 315 Ca -0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 1s1m h GLY 315 CO 0.01 0.84 0.01 -1.33 0.00 0.00 0.00 176.54 176.07 1s1m h GLY 316 N 0.84 0.04 0.09 4.60 0.00 -0.46 -2.67 103.07 105.50 1s1m h GLY 316 Ca 0.12 -0.01 0.16 0.00 0.00 0.00 0.00 47.33 47.59 1s1m h GLY 316 CO 0.06 0.01 0.34 1.41 0.00 0.00 0.00 176.54 178.36 1s1m h LEU 317 N -0.00 0.32 -0.76 3.11 3.38 -1.22 0.72 115.31 120.86 1s1m h LEU 317 Ca 0.01 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1s1m h LEU 317 Cb 0.03 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1s1m h LEU 317 CO -0.00 0.10 -0.17 0.11 0.09 0.00 0.00 178.44 178.57 1s1m h LYS 318 N 0.46 0.00 -0.17 1.13 1.79 -1.18 -3.12 116.57 115.48 1s1m h LYS 318 Ca 0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 1s1m h LYS 318 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1s1m h LYS 318 CO -0.42 0.17 0.00 0.09 -1.08 0.00 0.00 179.45 178.21 1s1m n ASN 319 N -3.23 2.35 -2.86 0.86 3.02 0.05 -4.97 115.26 110.48 1s1m n ASN 319 Ca 0.01 -1.79 -0.19 0.00 -0.03 0.00 0.00 54.58 52.59 1s1m n ASN 319 Cb 0.47 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 1s1m n ASN 319 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1s1m n ARG 320 N 0.31 -3.11 -4.43 3.52 5.12 0.23 -4.83 116.66 113.46 1s1m n ARG 320 Ca 0.07 0.66 -0.33 0.00 -1.93 0.00 0.00 57.85 56.31 1s1m n ARG 320 Cb 0.32 -5.35 -0.10 0.00 -1.16 0.00 0.00 32.46 26.17 1s1m n ARG 320 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1s1m s VAL 321 N -2.87 3.99 -0.29 1.55 1.01 -0.64 0.13 120.40 123.28 1s1m s VAL 321 Ca 0.19 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 1s1m s VAL 321 Cb -0.10 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1s1m s VAL 321 CO 0.24 0.50 0.56 -0.55 0.00 0.00 0.00 175.10 175.85 1s1m s SER 322 N -1.15 6.45 -0.34 3.32 0.15 0.20 -4.22 113.70 118.11 1s1m s SER 322 Ca 0.15 0.43 -0.16 0.00 0.70 0.00 0.00 55.95 57.08 1s1m s SER 322 Cb -0.11 -2.30 -0.01 0.00 -1.71 0.00 0.00 66.02 61.89 1s1m s SER 322 CO 0.05 -0.38 0.40 -0.69 1.20 0.00 0.00 173.24 173.83 1s1m s VAL 323 N 2.43 5.13 -0.48 4.45 1.01 -1.26 -0.33 120.40 131.34 1s1m s VAL 323 Ca 0.22 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.17 1s1m s VAL 323 Cb -0.15 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.42 1s1m s VAL 323 CO 0.10 -0.12 0.54 0.20 0.00 0.00 0.00 175.10 175.83 1s1m s ASN 324 N 1.74 6.20 -0.33 3.32 0.01 0.17 -4.97 114.94 121.09 1s1m s ASN 324 Ca 0.14 -0.95 -0.25 0.00 -0.71 0.00 0.00 52.86 51.09 1s1m s ASN 324 Cb -0.16 -2.25 0.01 0.00 0.41 0.00 0.00 41.25 39.25 1s1m s ASN 324 CO 0.12 -0.78 0.85 -0.63 -1.51 0.00 0.00 177.10 175.15 1s1m s ILE 325 N 2.32 4.71 -0.41 0.60 1.01 -1.26 -0.11 121.20 128.06 1s1m s ILE 325 Ca 0.12 1.21 -0.13 0.00 0.00 0.00 0.00 60.65 61.86 1s1m s ILE 325 Cb -0.20 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 38.09 1s1m s ILE 325 CO 0.11 -0.36 0.28 -0.75 0.00 0.00 0.00 174.94 174.23 1s1m s LYS 326 N 3.16 2.84 -0.42 2.79 2.47 0.18 -4.94 119.74 125.82 1s1m s LYS 326 Ca 0.35 -1.21 -0.29 0.00 -1.56 0.00 0.00 55.97 53.26 1s1m s LYS 326 Cb -0.13 -3.89 0.01 0.00 -1.46 0.00 0.00 37.83 32.36 1s1m s LYS 326 CO 0.15 -0.84 1.39 -0.51 0.16 0.00 0.00 175.35 175.70 1s1m s LEU 327 N 1.57 3.58 -0.19 5.43 1.43 -1.26 0.13 118.68 129.38 1s1m s LEU 327 Ca 0.03 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 1s1m s LEU 327 Cb -0.21 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.49 1s1m s LEU 327 CO 0.06 -1.43 -0.17 -0.63 0.23 0.00 0.00 176.35 174.41 1s1m s ILE 328 N 5.38 2.26 -0.05 -0.59 1.01 0.49 -4.92 121.20 124.78 1s1m s ILE 328 Ca 0.60 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 1s1m s ILE 328 Cb -0.13 -1.98 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 1s1m s ILE 328 CO 0.33 0.50 1.41 -0.62 0.00 0.00 0.00 174.94 176.56 1s1m s ASP 329 N 1.31 6.84 0.52 3.58 -1.08 -1.25 -0.62 116.67 125.97 1s1m s ASP 329 Ca 0.05 2.04 0.20 0.00 -0.52 0.00 0.00 52.55 54.32 1s1m s ASP 329 Cb -0.13 -2.55 1.36 0.00 -1.46 0.00 0.00 42.92 40.13 1s1m s ASP 329 CO -0.11 -0.76 2.12 0.77 0.52 0.00 0.00 175.17 177.71 1s1m h SER 330 N 8.23 0.00 0.39 -0.34 4.64 -1.51 -2.55 113.55 122.42 1s1m h SER 330 Ca -0.36 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.93 1s1m h SER 330 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1s1m h SER 330 CO 0.93 0.07 -0.15 1.56 -0.87 0.00 0.00 176.83 178.36 1s1m h GLN 331 N 0.00 0.00 0.00 4.77 4.20 -1.84 -1.38 115.11 120.86 1s1m h GLN 331 Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1s1m h GLN 331 Cb 0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1s1m h GLN 331 CO 0.01 0.15 -0.56 -0.44 -0.67 0.00 0.00 178.83 177.32 1s1m h ASP 332 N 0.00 0.00 -0.17 1.46 3.32 -1.85 2.92 116.42 122.10 1s1m h ASP 332 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1s1m h ASP 332 Cb 0.39 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1s1m h ASP 332 CO 0.02 0.56 0.02 0.58 -1.72 0.00 0.00 179.24 178.70 1s1m h VAL 333 N 0.00 1.23 -0.05 -1.35 2.07 -1.35 2.93 116.25 119.73 1s1m h VAL 333 Ca -0.01 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.80 1s1m h VAL 333 Cb 1.34 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 1s1m h VAL 333 CO 0.07 0.23 -0.17 -0.33 0.02 0.00 0.00 177.57 177.39 1s1m h GLU 334 N 0.07 -0.24 0.00 1.57 5.08 -0.90 0.99 114.58 121.15 1s1m h GLU 334 Ca 0.05 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1s1m h GLU 334 Cb 0.32 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1s1m h GLU 334 CO 0.00 -0.16 0.00 2.41 -1.00 0.00 0.00 179.01 180.26 1s1m n THR 335 N -5.30 0.00 0.92 1.13 -1.04 0.97 -4.28 114.28 106.67 1s1m n THR 335 Ca -0.04 1.16 0.12 0.00 -2.04 0.00 0.00 64.05 63.25 1s1m n THR 335 Cb 0.22 -2.11 0.22 0.00 -1.82 0.00 0.00 70.33 66.84 1s1m n THR 335 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1s1m n ARG 336 N -1.68 0.06 0.00 -2.82 1.74 0.97 -5.01 116.66 109.91 1s1m n ARG 336 Ca 0.00 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1s1m n ARG 336 Cb 0.00 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1s1m n ARG 336 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s1m n GLY 337 N 1.47 -1.34 0.00 -0.13 0.00 0.34 -4.32 105.19 101.20 1s1m n GLY 337 Ca 0.05 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1s1m n GLY 337 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1s1m n VAL 338 N -1.59 0.00 -0.28 1.61 0.24 -1.26 -2.34 118.33 114.71 1s1m n VAL 338 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 1s1m n VAL 338 Cb 0.00 -0.98 0.14 0.00 -1.47 0.00 0.00 33.84 31.53 1s1m n VAL 338 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1s1m h GLU 339 N 0.00 1.14 -0.32 7.34 4.81 -1.94 -2.74 114.58 122.87 1s1m h GLU 339 Ca 0.00 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 1s1m h GLU 339 Cb 0.00 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1s1m h GLU 339 CO 0.00 0.84 -0.17 -0.84 -0.73 0.00 0.00 179.01 178.11 1s1m h ILE 340 N 1.14 1.25 0.00 2.32 -2.65 -1.78 -2.75 117.51 115.05 1s1m h ILE 340 Ca 0.29 -1.16 0.00 0.00 1.03 0.00 0.00 64.86 65.01 1s1m h ILE 340 Cb 0.04 1.20 0.00 0.00 -2.05 0.00 0.00 36.82 36.01 1s1m h ILE 340 CO -0.05 0.38 0.00 0.18 0.03 0.00 0.00 178.15 178.70 1s1m n LEU 341 N -4.16 0.50 -4.70 0.16 4.77 -1.03 -4.68 117.00 107.86 1s1m n LEU 341 Ca 0.00 0.66 -0.42 0.00 -0.03 0.00 0.00 56.01 56.22 1s1m n LEU 341 Cb 0.37 -0.64 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1s1m n LEU 341 CO 0.42 -0.63 1.20 -0.54 -1.33 0.00 0.00 177.39 176.50 1s1m s LYS 342 N -3.32 4.25 0.00 3.23 -0.14 -1.04 -3.62 119.74 119.11 1s1m s LYS 342 Ca 0.02 2.15 0.00 0.00 -1.36 0.00 0.00 55.97 56.78 1s1m s LYS 342 Cb 0.08 -3.50 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 1s1m s LYS 342 CO 0.29 -0.61 0.00 0.41 -0.76 0.00 0.00 175.35 174.67 1s1m n GLY 343 N 3.76 1.82 3.32 -3.33 0.00 -1.26 -5.09 105.19 104.40 1s1m n GLY 343 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1s1m n GLY 343 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s1m s LEU 344 N 0.00 2.21 0.00 0.99 1.43 -1.24 -4.86 118.68 117.21 1s1m s LEU 344 Ca 0.00 -0.60 0.22 0.00 -1.03 0.00 0.00 54.13 52.72 1s1m s LEU 344 Cb 0.00 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 1s1m s LEU 344 CO 0.00 0.19 1.06 0.47 0.23 0.00 0.00 176.35 178.30 1s1m n ASP 345 N 1.58 1.41 -3.53 2.29 8.00 0.22 -4.96 116.55 121.57 1s1m n ASP 345 Ca -0.17 -1.17 -0.10 0.00 0.71 0.00 0.00 54.79 54.06 1s1m n ASP 345 Cb 0.53 0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 42.26 1s1m n ASP 345 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s1m s ALA 346 N -2.74 -1.85 -0.09 2.24 0.00 -1.18 -4.28 121.76 113.85 1s1m s ALA 346 Ca 0.14 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.33 1s1m s ALA 346 Cb 0.17 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1s1m s ALA 346 CO 0.71 -0.54 -0.14 0.42 0.00 0.00 0.00 175.76 176.20 1s1m s ILE 347 N -2.34 1.37 -0.14 0.00 1.01 -0.09 -0.28 121.20 120.73 1s1m s ILE 347 Ca 0.02 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1s1m s ILE 347 Cb -0.01 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.22 1s1m s ILE 347 CO -0.04 0.41 -0.22 -0.22 0.00 0.00 0.00 174.94 174.87 1s1m s LEU 348 N 0.91 2.10 -0.36 2.97 0.20 0.12 -1.35 118.68 123.27 1s1m s LEU 348 Ca -0.09 -0.61 -0.03 0.00 0.69 0.00 0.00 54.13 54.09 1s1m s LEU 348 Cb -0.15 -1.44 0.08 0.00 -0.43 0.00 0.00 46.19 44.25 1s1m s LEU 348 CO 0.00 0.07 0.12 -0.69 -0.29 0.00 0.00 176.35 175.56 1s1m s VAL 349 N 0.87 3.29 0.97 1.68 1.01 0.36 -0.91 120.40 127.66 1s1m s VAL 349 Ca -0.06 -1.66 -0.16 0.00 0.00 0.00 0.00 61.98 60.10 1s1m s VAL 349 Cb -0.15 -3.06 0.24 0.00 0.00 0.00 0.00 36.38 33.40 1s1m s VAL 349 CO -0.03 -0.40 0.98 -0.81 0.00 0.00 0.00 175.10 174.83 1s1m n PRO 350 N 4.65 -2.29 -1.75 2.72 -0.04 -1.26 -0.70 135.00 136.33 1s1m n PRO 350 Ca -0.08 -1.54 -0.17 0.00 -0.04 0.00 0.00 63.50 61.67 1s1m n PRO 350 Cb 0.43 -1.30 0.10 0.00 -0.04 0.00 0.00 33.50 32.68 1s1m n PRO 350 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s1m n GLY 351 N -3.20 0.13 0.00 0.55 0.00 -1.02 -2.41 105.19 99.23 1s1m n GLY 351 Ca 0.13 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1s1m n GLY 351 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1m n GLY 352 N -0.34 2.14 2.93 -0.02 0.00 -1.26 -4.88 105.19 103.75 1s1m n GLY 352 Ca 0.11 -1.62 -0.15 0.00 0.00 0.00 0.00 46.02 44.36 1s1m n GLY 352 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s1m s PHE 353 N -1.78 0.36 0.00 1.61 0.40 -1.26 -4.65 117.98 112.65 1s1m s PHE 353 Ca 0.00 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 1s1m s PHE 353 Cb 0.00 -0.25 0.00 0.00 0.51 0.00 0.00 43.02 43.28 1s1m s PHE 353 CO 0.00 -0.02 0.00 0.41 0.70 0.00 0.00 175.22 176.31 1s1m n GLY 354 N 3.08 2.62 0.14 4.36 0.00 -1.26 -4.96 105.19 109.18 1s1m n GLY 354 Ca -0.14 -0.58 0.14 0.00 0.00 0.00 0.00 46.02 45.44 1s1m n GLY 354 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1s1m n TYR 355 N 0.00 0.50 0.00 1.61 9.36 -1.26 -4.28 117.16 123.09 1s1m n TYR 355 Ca 0.00 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.74 1s1m n TYR 355 Cb 0.00 -0.97 0.00 0.00 -0.63 0.00 0.00 39.34 37.74 1s1m n TYR 355 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1s1m n ARG 356 N -4.04 0.00 0.00 2.98 1.74 -1.26 0.11 116.66 116.19 1s1m n ARG 356 Ca 0.16 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.27 1s1m n ARG 356 Cb 0.55 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 32.13 1s1m n ARG 356 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s1m n GLY 357 N 0.00 -0.24 0.45 -0.13 0.00 -1.26 -4.06 105.19 99.94 1s1m n GLY 357 Ca 0.00 -0.03 0.38 0.00 0.00 0.00 0.00 46.02 46.38 1s1m n GLY 357 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s1m n VAL 358 N -0.80 -0.24 0.01 1.61 0.31 0.31 0.26 118.33 119.79 1s1m n VAL 358 Ca 0.03 1.73 -0.17 0.00 -0.01 0.00 0.00 64.34 65.91 1s1m n VAL 358 Cb 0.02 -2.83 -0.07 0.00 -0.91 0.00 0.00 33.84 30.05 1s1m n VAL 358 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1s1m h GLU 359 N 0.00 0.73 -0.84 5.55 4.39 -1.74 -2.72 114.58 119.95 1s1m h GLU 359 Ca 0.84 -0.65 0.18 0.00 0.34 0.00 0.00 59.36 60.07 1s1m h GLU 359 Cb 2.71 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 31.46 1s1m h GLU 359 CO -0.45 1.25 0.56 0.78 -1.16 0.00 0.00 179.01 179.99 1s1m h GLY 360 N 0.59 0.79 0.28 -3.84 0.00 0.34 -2.47 103.07 98.76 1s1m h GLY 360 Ca -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1s1m h GLY 360 CO 0.17 0.03 -0.13 -0.33 0.00 0.00 0.00 176.54 176.28 1s1m h MET 361 N 0.41 -0.36 -1.00 4.80 2.86 -1.23 -2.97 114.93 117.45 1s1m h MET 361 Ca 0.42 0.02 0.35 0.00 -2.06 0.00 0.00 59.70 58.44 1s1m h MET 361 Cb 1.02 0.08 -0.18 0.00 0.06 0.00 0.00 31.60 32.58 1s1m h MET 361 CO -0.15 -0.22 0.31 -0.89 1.06 0.00 0.00 176.91 177.02 1s1m n ILE 362 N -5.02 -0.42 0.29 -1.22 5.41 -1.03 0.81 119.36 118.17 1s1m n ILE 362 Ca -0.05 2.10 -0.17 0.00 1.00 0.00 0.00 62.75 65.63 1s1m n ILE 362 Cb 0.15 -3.25 -0.09 0.00 -0.71 0.00 0.00 39.64 35.75 1s1m n ILE 362 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1s1m h THR 363 N 0.00 0.16 -0.30 1.39 2.02 -1.53 -1.27 112.91 113.38 1s1m h THR 363 Ca 0.74 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.99 1s1m h THR 363 Cb 1.80 0.16 -0.08 0.00 -1.74 0.00 0.00 68.15 68.29 1s1m h THR 363 CO -0.84 0.00 -0.25 0.74 0.37 0.00 0.00 175.52 175.54 1s1m h THR 364 N -0.90 0.37 -0.72 3.16 2.02 0.58 0.82 112.91 118.24 1s1m h THR 364 Ca -0.05 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.28 1s1m h THR 364 Cb 0.77 0.37 -0.11 0.00 -1.74 0.00 0.00 68.15 67.44 1s1m h THR 364 CO -0.02 0.00 0.15 0.00 0.37 0.00 0.00 175.52 176.01 1s1m h ALA 365 N 0.86 0.89 0.82 6.16 0.00 -0.38 0.36 119.26 127.97 1s1m h ALA 365 Ca 0.16 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1s1m h ALA 365 Cb 0.47 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1s1m h ALA 365 CO -0.43 -0.35 -0.40 -0.09 0.00 0.00 0.00 179.25 177.98 1s1m h ARG 366 N 0.24 -1.07 -0.77 0.00 2.43 0.22 0.12 114.38 115.55 1s1m h ARG 366 Ca 0.40 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.73 1s1m h ARG 366 Cb 0.68 0.24 -0.12 0.00 -0.42 0.00 0.00 29.97 30.35 1s1m h ARG 366 CO -0.51 -0.71 -0.51 0.35 -1.51 0.00 0.00 179.97 177.08 1s1m h PHE 367 N -1.12 -1.57 -0.84 2.20 3.57 0.20 1.17 116.94 120.56 1s1m h PHE 367 Ca -0.11 0.10 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1s1m h PHE 367 Cb 0.85 0.79 -0.08 0.00 2.79 0.00 0.00 35.95 40.30 1s1m h PHE 367 CO -0.01 -0.41 0.47 0.00 -2.23 0.00 0.00 178.31 176.12 1s1m h ALA 368 N 0.56 1.21 -0.15 2.41 0.00 -0.16 0.25 119.26 123.38 1s1m h ALA 368 Ca 0.18 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1s1m h ALA 368 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1s1m h ALA 368 CO -0.81 0.07 -0.59 -0.09 0.00 0.00 0.00 179.25 177.83 1s1m h ARG 369 N 0.77 0.48 0.00 0.00 2.43 0.22 0.18 114.38 118.45 1s1m h ARG 369 Ca 0.41 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1s1m h ARG 369 Cb 0.42 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1s1m h ARG 369 CO -0.27 0.93 -0.47 0.39 -1.51 0.00 0.00 179.97 179.04 1s1m n GLU 370 N -3.93 0.21 -0.30 0.20 1.02 0.37 -3.67 120.64 114.54 1s1m n GLU 370 Ca -0.03 0.08 0.08 0.00 -0.02 0.00 0.00 57.16 57.26 1s1m n GLU 370 Cb 0.62 -1.65 0.20 0.00 -0.02 0.00 0.00 31.44 30.59 1s1m n GLU 370 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1s1m n ASN 371 N -1.96 3.30 -3.98 1.62 4.13 0.81 -4.97 115.26 114.21 1s1m n ASN 371 Ca 0.04 -2.81 -0.32 0.00 1.68 0.00 0.00 54.58 53.17 1s1m n ASN 371 Cb 0.41 -0.44 -0.00 0.00 -1.54 0.00 0.00 39.78 38.21 1s1m n ASN 371 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1s1m n ASN 372 N -0.54 -4.08 -4.68 6.41 5.03 -1.10 -4.95 115.26 111.35 1s1m n ASN 372 Ca 0.17 -0.83 -0.38 0.00 0.87 0.00 0.00 54.58 54.42 1s1m n ASN 372 Cb 0.73 -3.30 -0.07 0.00 -1.02 0.00 0.00 39.78 36.12 1s1m n ASN 372 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1s1m s ILE 373 N -3.24 5.21 0.27 2.41 1.09 0.60 -4.67 121.20 122.87 1s1m s ILE 373 Ca 0.67 0.72 -0.30 0.00 -1.10 0.00 0.00 60.65 60.64 1s1m s ILE 373 Cb -0.35 -3.73 -0.13 0.00 -1.06 0.00 0.00 42.46 37.19 1s1m s ILE 373 CO 0.83 0.28 1.38 -0.81 -0.10 0.00 0.00 174.94 176.52 1s1m n PRO 374 N 4.26 2.10 -4.13 2.79 -0.05 -1.26 -4.49 135.00 134.22 1s1m n PRO 374 Ca -0.09 0.74 -0.15 0.00 -0.05 0.00 0.00 63.50 63.96 1s1m n PRO 374 Cb 0.51 -2.39 -0.12 0.00 -0.05 0.00 0.00 33.50 31.45 1s1m n PRO 374 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 175.50 174.98 1s1m s TYR 375 N -0.34 0.79 -0.06 0.54 5.04 0.16 -0.91 117.35 122.57 1s1m s TYR 375 Ca 0.64 -0.41 -0.02 0.00 -2.44 0.00 0.00 57.07 54.84 1s1m s TYR 375 Cb -0.62 -0.47 0.04 0.00 0.35 0.00 0.00 41.96 41.26 1s1m s TYR 375 CO 0.53 -0.04 0.11 -1.17 -1.34 0.00 0.00 175.55 173.64 1s1m s LEU 376 N -1.33 0.30 -0.10 6.97 2.96 -0.46 -1.65 118.68 125.37 1s1m s LEU 376 Ca -0.06 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1s1m s LEU 376 Cb -0.09 0.12 0.01 0.00 0.50 0.00 0.00 46.19 46.73 1s1m s LEU 376 CO 0.01 -0.21 -0.20 -0.83 -1.32 0.00 0.00 176.35 173.79 1s1m s GLY 377 N 1.87 1.21 -0.17 7.98 0.00 -0.77 -0.49 107.32 116.94 1s1m s GLY 377 Ca -0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 43.82 1s1m s GLY 377 CO -0.05 -0.12 -0.07 -0.42 0.00 0.00 0.00 173.10 172.45 1s1m s ILE 378 N 0.57 3.45 0.00 0.90 1.01 0.12 -1.28 121.20 125.97 1s1m s ILE 378 Ca -0.14 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1s1m s ILE 378 Cb -0.17 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.79 1s1m s ILE 378 CO 0.05 0.47 0.00 0.00 0.00 0.00 0.00 174.94 175.46 1s1m h LEU 380 N 0.00 0.10 -2.38 0.00 5.85 -1.83 3.29 115.31 120.35 1s1m h LEU 380 Ca 0.00 0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1s1m h LEU 380 Cb 0.00 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1s1m h LEU 380 CO 0.00 -0.28 0.06 1.23 -0.34 0.00 0.00 178.44 179.11 1s1m h GLY 381 N 0.13 0.00 0.64 3.75 0.00 -0.11 0.30 103.07 107.78 1s1m h GLY 381 Ca 0.69 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.80 1s1m h GLY 381 CO -0.74 0.00 -1.05 1.98 0.00 0.00 0.00 176.54 176.73 1s1m h MET 382 N 0.00 0.28 0.39 4.80 1.85 0.58 -3.24 114.93 119.59 1s1m h MET 382 Ca 0.02 -0.48 -0.01 0.00 -0.61 0.00 0.00 59.70 58.63 1s1m h MET 382 Cb 0.14 0.18 -0.02 0.00 0.43 0.00 0.00 31.60 32.33 1s1m h MET 382 CO -0.00 1.23 -0.33 1.96 -0.40 0.00 0.00 176.91 179.36 1s1m h GLN 383 N -0.35 -0.71 -0.88 0.39 4.20 0.29 -0.64 115.11 117.41 1s1m h GLN 383 Ca -0.21 0.05 0.26 0.00 0.06 0.00 0.00 58.65 58.81 1s1m h GLN 383 Cb 1.69 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 29.60 1s1m h GLN 383 CO 0.11 -0.47 0.95 0.28 -0.67 0.00 0.00 178.83 179.03 1s1m h VAL 384 N -0.74 0.14 0.05 -0.54 2.07 -0.59 0.51 116.25 117.16 1s1m h VAL 384 Ca -0.03 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.15 1s1m h VAL 384 Cb 0.64 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1s1m h VAL 384 CO -0.03 0.00 -1.93 0.00 0.02 0.00 0.00 177.57 175.64 1s1m n ALA 385 N -2.34 1.24 -0.04 1.67 0.00 -0.58 -2.97 120.51 117.49 1s1m n ALA 385 Ca 0.19 -0.75 -0.08 0.00 0.00 0.00 0.00 53.44 52.80 1s1m n ALA 385 Cb 1.23 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 1s1m n ALA 385 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s1m h LEU 386 N 0.03 -0.21 0.00 0.00 5.85 0.14 0.79 115.31 121.91 1s1m h LEU 386 Ca -0.38 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1s1m h LEU 386 Cb 2.03 0.14 0.00 0.00 0.37 0.00 0.00 40.66 43.20 1s1m h LEU 386 CO 0.07 -0.08 0.00 -0.38 -0.34 0.00 0.00 178.44 177.71 1s1m n ILE 387 N -5.21 0.00 -0.27 4.05 5.41 -0.68 0.73 119.36 123.38 1s1m n ILE 387 Ca -0.02 1.06 -0.07 0.00 1.00 0.00 0.00 62.75 64.72 1s1m n ILE 387 Cb 0.14 -1.75 -0.06 0.00 -0.71 0.00 0.00 39.64 37.25 1s1m n ILE 387 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1s1m n ASP 388 N -1.05 -0.69 0.00 4.38 4.64 -1.16 0.08 116.55 122.76 1s1m n ASP 388 Ca 0.00 1.19 0.00 0.00 -1.38 0.00 0.00 54.79 54.60 1s1m n ASP 388 Cb 0.00 -0.17 0.00 0.00 -1.04 0.00 0.00 41.12 39.91 1s1m n ASP 388 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1s1m n TYR 389 N -4.73 0.00 -0.32 -0.67 9.36 0.26 -1.76 117.16 119.30 1s1m n TYR 389 Ca 0.01 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.16 1s1m n TYR 389 Cb 0.17 -0.42 -0.06 0.00 -0.63 0.00 0.00 39.34 38.39 1s1m n TYR 389 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1s1m n ALA 390 N -2.32 -0.45 -1.00 2.98 0.00 0.22 -1.35 120.51 118.59 1s1m n ALA 390 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1s1m n ALA 390 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1s1m n ALA 390 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s1m n ARG 391 N -4.97 0.00 0.00 0.00 1.74 0.11 0.51 116.66 114.05 1s1m n ARG 391 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1s1m n ARG 391 Cb 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.65 1s1m n ARG 391 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1s1m n HIS 392 N 0.00 0.00 0.00 -1.55 8.25 -0.72 0.79 115.22 121.98 1s1m n HIS 392 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1s1m n HIS 392 Cb 0.00 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1s1m n HIS 392 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1s1m n VAL 393 N -0.63 0.00 1.51 1.59 0.31 -0.46 -4.75 118.33 115.90 1s1m n VAL 393 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 1s1m n VAL 393 Cb 0.13 -0.76 0.74 0.00 -0.91 0.00 0.00 33.84 33.04 1s1m n VAL 393 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s1m n ALA 394 N -2.56 2.60 -1.96 3.52 0.00 0.18 -4.90 120.51 117.38 1s1m n ALA 394 Ca 0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 53.44 53.07 1s1m n ALA 394 Cb 0.18 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 1s1m n ALA 394 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s1m n ASN 395 N -1.14 -5.15 -4.56 0.00 5.03 0.24 -4.93 115.26 104.76 1s1m n ASN 395 Ca 0.16 0.19 -0.40 0.00 0.87 0.00 0.00 54.58 55.40 1s1m n ASN 395 Cb 0.23 -4.21 -0.03 0.00 -1.02 0.00 0.00 39.78 34.75 1s1m n ASN 395 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1s1m s MET 396 N -4.25 3.38 -0.35 3.52 1.00 -1.13 -4.91 119.30 116.55 1s1m s MET 396 Ca 0.00 -0.79 -0.32 0.00 0.00 0.00 0.00 55.69 54.58 1s1m s MET 396 Cb 0.00 -5.01 -0.14 0.00 0.00 0.00 0.00 34.83 29.68 1s1m s MET 396 CO 0.00 -2.30 1.26 0.39 0.00 0.00 0.00 175.02 174.37 1s1m n GLU 397 N 9.02 0.00 -3.98 2.03 4.71 -1.26 -0.98 120.64 130.19 1s1m n GLU 397 Ca 0.26 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 57.03 1s1m n GLU 397 Cb 0.50 -1.05 0.01 0.00 -1.01 0.00 0.00 31.44 29.89 1s1m n GLU 397 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1s1m n ASN 398 N 3.70 -3.27 -4.75 1.62 3.02 -1.26 -4.67 115.26 109.66 1s1m n ASN 398 Ca 0.28 -1.17 -0.37 0.00 -0.03 0.00 0.00 54.58 53.29 1s1m n ASN 398 Cb -0.04 -2.36 0.03 0.00 -0.61 0.00 0.00 39.78 36.80 1s1m n ASN 398 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s1m s ALA 399 N -3.69 2.65 0.00 5.41 0.00 -0.15 -4.69 121.76 121.29 1s1m s ALA 399 Ca 0.35 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1s1m s ALA 399 Cb -0.17 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1s1m s ALA 399 CO 0.93 -1.16 0.00 -1.71 0.00 0.00 0.00 175.76 173.82 1s1m n ASN 400 N -1.33 0.00 -4.12 0.00 2.85 0.12 -4.93 115.26 107.85 1s1m n ASN 400 Ca 0.12 -0.95 -0.32 0.00 -0.11 0.00 0.00 54.58 53.33 1s1m n ASN 400 Cb 0.48 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.34 1s1m n ASN 400 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1s1m s SER 401 N -0.85 2.95 0.56 1.20 0.15 -1.26 -0.05 113.70 116.41 1s1m s SER 401 Ca 0.00 -0.57 0.36 0.00 0.70 0.00 0.00 55.95 56.44 1s1m s SER 401 Cb 0.00 -1.36 1.48 0.00 -1.71 0.00 0.00 66.02 64.43 1s1m s SER 401 CO 0.00 0.03 1.70 0.71 1.20 0.00 0.00 173.24 176.89 1s1m h THR 402 N 5.90 0.27 -1.07 6.45 1.35 -1.18 0.62 112.91 125.25 1s1m h THR 402 Ca -0.36 0.00 0.30 0.00 -0.55 0.00 0.00 66.41 65.80 1s1m h THR 402 Cb 1.17 0.31 -0.06 0.00 -1.73 0.00 0.00 68.15 67.84 1s1m h THR 402 CO 0.56 0.00 0.74 -0.08 -0.25 0.00 0.00 175.52 176.49 1s1m h GLU 403 N 0.00 0.13 0.00 4.72 4.81 -1.95 -2.66 114.58 119.62 1s1m h GLU 403 Ca 0.56 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.69 1s1m h GLU 403 Cb 2.46 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.79 1s1m h GLU 403 CO -0.01 0.08 -1.41 1.19 -0.73 0.00 0.00 179.01 178.14 1s1m n PHE 404 N -4.35 0.00 -3.23 0.92 3.01 0.21 -4.88 117.46 109.15 1s1m n PHE 404 Ca 0.24 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.48 1s1m n PHE 404 Cb 1.05 -0.29 -0.07 0.00 -0.01 0.00 0.00 39.48 40.16 1s1m n PHE 404 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1s1m n VAL 405 N -2.17 -0.89 -0.09 -4.37 0.31 -0.90 -4.99 118.33 105.24 1s1m n VAL 405 Ca -0.09 -3.07 0.26 0.00 -0.01 0.00 0.00 64.34 61.43 1s1m n VAL 405 Cb 0.64 -1.16 0.70 0.00 -0.91 0.00 0.00 33.84 33.10 1s1m n VAL 405 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1s1m h PRO 406 N 5.17 0.00 -3.70 5.55 0.14 -1.72 -3.14 132.00 134.31 1s1m h PRO 406 Ca 0.18 0.00 -0.78 0.00 0.14 0.00 0.00 66.00 65.54 1s1m h PRO 406 Cb 0.94 0.00 -0.28 0.00 0.14 0.00 0.00 31.00 31.80 1s1m h PRO 406 CO 0.33 0.00 0.16 0.16 0.14 0.00 0.00 178.00 178.79 1s1m s ASP 407 N -5.05 6.78 0.00 1.44 -4.77 -1.26 -4.84 116.67 108.97 1s1m s ASP 407 Ca -0.04 -3.06 0.00 0.00 -3.30 0.00 0.00 52.55 46.15 1s1m s ASP 407 Cb 0.18 -2.16 0.00 0.00 -1.09 0.00 0.00 42.92 39.84 1s1m s ASP 407 CO 0.63 -0.44 0.10 0.00 0.70 0.00 0.00 175.17 176.16 1s1m n LYS 409 N -0.16 0.00 -3.61 0.00 4.81 -1.26 -4.45 118.16 113.48 1s1m n LYS 409 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 1s1m n LYS 409 Cb 0.09 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.06 1s1m n LYS 409 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1s1m s TYR 410 N 0.00 3.57 -0.51 5.64 4.12 -1.26 -2.40 117.35 126.50 1s1m s TYR 410 Ca 0.00 -2.61 0.03 0.00 0.02 0.00 0.00 57.07 54.51 1s1m s TYR 410 Cb 0.00 -3.35 0.13 0.00 -1.52 0.00 0.00 41.96 37.22 1s1m s TYR 410 CO 0.00 -0.86 0.25 -1.25 0.02 0.00 0.00 175.55 173.71 1s1m s PRO 411 N -0.25 1.97 0.13 -1.71 0.05 -1.26 0.14 135.00 134.07 1s1m s PRO 411 Ca 0.19 -2.52 0.25 0.00 0.05 0.00 0.00 61.00 58.98 1s1m s PRO 411 Cb -0.16 -3.35 0.96 0.00 0.05 0.00 0.00 34.50 32.00 1s1m s PRO 411 CO -0.06 -1.09 1.79 0.28 0.05 0.00 0.00 177.00 177.96 1s1m n VAL 412 N 3.30 0.48 -5.02 -0.36 0.31 0.93 -4.64 118.33 113.32 1s1m n VAL 412 Ca 0.05 -0.06 -0.32 0.00 -0.01 0.00 0.00 64.34 64.00 1s1m n VAL 412 Cb 0.34 -0.68 -0.17 0.00 -0.91 0.00 0.00 33.84 32.42 1s1m n VAL 412 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1s1m s VAL 413 N -3.09 2.15 0.00 2.52 1.01 -1.04 0.27 120.40 122.23 1s1m s VAL 413 Ca 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1s1m s VAL 413 Cb 0.14 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1s1m s VAL 413 CO 0.51 0.55 0.00 0.00 0.00 0.00 0.00 175.10 176.16 1s1m n ALA 414 N 3.69 0.00 -1.74 5.51 0.00 0.89 -0.83 120.51 128.03 1s1m n ALA 414 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 1s1m n ALA 414 Cb 0.53 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.01 1s1m n ALA 414 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s1m n LEU 415 N 0.00 5.20 0.07 0.00 4.77 -1.26 -1.72 117.00 124.06 1s1m n LEU 415 Ca 0.00 1.01 0.21 0.00 -0.03 0.00 0.00 56.01 57.20 1s1m n LEU 415 Cb 0.00 -1.56 0.74 0.00 -2.33 0.00 0.00 43.42 40.26 1s1m n LEU 415 CO 0.00 -0.57 1.19 0.40 -1.33 0.00 0.00 177.39 177.08 1s1m h ILE 416 N 1.62 0.40 0.08 -0.08 2.04 -1.94 -1.89 117.51 117.74 1s1m h ILE 416 Ca -0.50 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1s1m h ILE 416 Cb 1.30 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1s1m h ILE 416 CO 0.58 0.00 -0.04 0.71 0.00 0.00 0.00 178.15 179.40 1s1m h THR 417 N 0.00 0.98 0.00 -0.27 1.35 -1.99 -3.19 112.91 109.78 1s1m h THR 417 Ca 0.22 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1s1m h THR 417 Cb 1.14 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1s1m h THR 417 CO -0.00 0.29 0.00 -0.62 -0.25 0.00 0.00 175.52 174.94 1s1m n GLU 418 N -4.80 0.02 -1.51 4.72 1.02 -0.74 -4.71 120.64 114.64 1s1m n GLU 418 Ca -0.07 0.31 -0.44 0.00 -0.02 0.00 0.00 57.16 56.95 1s1m n GLU 418 Cb 0.28 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 1s1m n GLU 418 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1s1m n TRP 419 N -1.33 1.48 0.00 -0.32 7.02 -1.03 -4.84 117.44 118.41 1s1m n TRP 419 Ca 0.01 0.17 0.00 0.00 -1.02 0.00 0.00 57.50 56.66 1s1m n TRP 419 Cb 0.02 -2.58 0.00 0.00 -2.42 0.00 0.00 31.31 26.33 1s1m n TRP 419 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 1s1m n ARG 420 N 8.58 0.34 -2.97 -0.99 1.85 -1.26 -4.33 116.66 117.89 1s1m n ARG 420 Ca 0.41 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 57.24 1s1m n ARG 420 Cb 0.34 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.76 1s1m n ARG 420 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1s1m n ASP 421 N 0.00 -1.20 0.20 2.89 3.85 -0.52 -4.65 116.55 117.12 1s1m n ASP 421 Ca 0.00 -1.68 0.08 0.00 -0.71 0.00 0.00 54.79 52.48 1s1m n ASP 421 Cb 0.00 1.97 0.31 0.00 -1.35 0.00 0.00 41.12 42.04 1s1m n ASP 421 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1s1m h GLU 422 N 0.00 0.00 -0.41 0.11 9.09 -1.81 -2.60 114.58 118.97 1s1m h GLU 422 Ca -0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.23 1s1m h GLU 422 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 1s1m h GLU 422 CO 0.24 0.26 0.00 0.09 0.05 0.00 0.00 179.01 179.66 1s1m n ASN 423 N -3.29 2.79 0.00 3.06 3.02 -1.26 -4.86 115.26 114.72 1s1m n ASN 423 Ca 0.01 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 1s1m n ASN 423 Cb 0.52 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1s1m n ASN 423 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s1m n GLY 424 N 1.36 0.61 3.73 7.41 0.00 -0.98 -4.97 105.19 112.35 1s1m n GLY 424 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1s1m n GLY 424 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s1m s ASN 425 N -2.57 4.47 0.25 1.61 0.01 -1.26 -4.52 114.94 112.93 1s1m s ASN 425 Ca 0.00 2.46 -0.02 0.00 -0.71 0.00 0.00 52.86 54.59 1s1m s ASN 425 Cb 0.00 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 1s1m s ASN 425 CO 0.00 -2.08 0.26 0.68 -1.51 0.00 0.00 177.10 174.45 1s1m s VAL 426 N -1.72 0.00 0.00 1.60 -7.23 -1.26 -1.44 120.40 110.35 1s1m s VAL 426 Ca 0.78 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1s1m s VAL 426 Cb -0.32 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1s1m s VAL 426 CO 0.42 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 176.42 1s1m n GLU 427 N -0.39 0.00 0.00 4.82 4.07 -1.26 -5.09 120.64 122.79 1s1m n GLU 427 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1s1m n GLU 427 Cb 0.64 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.02 1s1m n GLU 427 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1s1m n THR 438 N 0.00 0.00 -4.56 6.31 5.66 -1.26 -4.93 114.28 115.50 1s1m n THR 438 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 1s1m n THR 438 Cb 0.00 -0.02 -0.14 0.00 -1.55 0.00 0.00 70.33 68.62 1s1m n THR 438 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 1s1m s MET 439 N 0.00 1.28 -0.25 1.09 1.75 -1.26 -4.80 119.30 117.10 1s1m s MET 439 Ca 0.00 -0.91 -0.15 0.00 -1.25 0.00 0.00 55.69 53.38 1s1m s MET 439 Cb 0.00 -1.37 -0.04 0.00 2.84 0.00 0.00 34.83 36.26 1s1m s MET 439 CO 0.00 0.35 0.37 1.03 -0.65 0.00 0.00 175.02 176.12 1s1m s ARG 440 N -1.20 4.07 -0.02 4.11 0.52 0.48 -4.95 118.95 121.96 1s1m s ARG 440 Ca 0.06 0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.35 1s1m s ARG 440 Cb -0.09 -3.61 0.03 0.00 0.52 0.00 0.00 34.95 31.80 1s1m s ARG 440 CO 0.02 -0.19 0.02 -0.51 0.02 0.00 0.00 175.30 174.66 1s1m s LEU 441 N 1.79 1.18 0.00 2.53 1.43 -1.23 -1.52 118.68 122.87 1s1m s LEU 441 Ca 0.16 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1s1m s LEU 441 Cb -0.15 -0.08 0.00 0.00 0.03 0.00 0.00 46.19 45.99 1s1m s LEU 441 CO 0.09 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1s1m n GLY 442 N 4.06 -2.05 3.73 -3.19 0.00 0.30 -4.25 105.19 103.78 1s1m n GLY 442 Ca -0.26 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 1s1m n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1m s ALA 443 N -1.71 3.54 -0.02 4.61 0.00 0.92 -0.78 121.76 128.31 1s1m s ALA 443 Ca 0.00 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 1s1m s ALA 443 Cb 0.00 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1s1m s ALA 443 CO 0.00 -0.56 0.04 -0.65 0.00 0.00 0.00 175.76 174.59 1s1m s GLN 444 N 0.12 0.02 0.29 0.00 -0.21 0.41 -4.94 119.66 115.34 1s1m s GLN 444 Ca 0.58 0.13 -0.29 0.00 0.02 0.00 0.00 55.36 55.80 1s1m s GLN 444 Cb -0.37 -0.09 -0.10 0.00 1.00 0.00 0.00 33.01 33.45 1s1m s GLN 444 CO 0.37 -0.08 1.21 -0.65 -2.12 0.00 0.00 175.29 174.02 1s1m s GLN 445 N 0.49 4.49 0.03 2.91 -0.21 -1.26 -2.07 119.66 124.04 1s1m s GLN 445 Ca -0.04 2.00 0.03 0.00 0.02 0.00 0.00 55.36 57.37 1s1m s GLN 445 Cb -0.06 -3.14 -0.02 0.00 1.00 0.00 0.00 33.01 30.79 1s1m s GLN 445 CO -0.02 -0.01 -0.08 0.00 -2.12 0.00 0.00 175.29 173.06 1s1m s GLN 447 N -1.07 3.90 -0.04 0.00 1.11 -0.12 -1.35 119.66 122.09 1s1m s GLN 447 Ca -0.04 -0.38 -0.19 0.00 0.01 0.00 0.00 55.36 54.75 1s1m s GLN 447 Cb -0.07 -3.18 -0.05 0.00 -1.01 0.00 0.00 33.01 28.69 1s1m s GLN 447 CO 0.00 0.22 0.54 -0.51 0.01 0.00 0.00 175.29 175.55 1s1m s LEU 448 N 0.50 4.39 0.08 2.90 1.43 0.23 -1.94 118.68 126.27 1s1m s LEU 448 Ca 0.02 1.04 -0.31 0.00 -1.03 0.00 0.00 54.13 53.85 1s1m s LEU 448 Cb -0.13 -2.81 -0.07 0.00 0.03 0.00 0.00 46.19 43.21 1s1m s LEU 448 CO 0.01 0.10 1.32 -0.69 0.23 0.00 0.00 176.35 177.33 1s1m s VAL 449 N -0.08 3.60 0.29 -1.59 1.01 0.14 -4.85 120.40 118.92 1s1m s VAL 449 Ca 0.29 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.41 1s1m s VAL 449 Cb -0.17 -3.73 0.34 0.00 0.00 0.00 0.00 36.38 32.82 1s1m s VAL 449 CO 0.15 0.08 1.62 -0.78 0.00 0.00 0.00 175.10 176.16 1s1m h ASP 450 N 6.92 -0.21 -0.94 3.32 1.82 -1.95 -1.32 116.42 124.06 1s1m h ASP 450 Ca -0.41 0.23 -0.59 0.00 -0.39 0.00 0.00 57.03 55.87 1s1m h ASP 450 Cb 1.21 0.35 -0.29 0.00 0.68 0.00 0.00 39.33 41.28 1s1m h ASP 450 CO 0.85 -0.24 0.62 0.47 -1.61 0.00 0.00 179.24 179.33 1s1m n ASP 451 N -5.34 5.95 -4.94 2.28 9.92 -1.26 -4.96 116.55 118.20 1s1m n ASP 451 Ca 0.21 -3.73 -0.26 0.00 -0.53 0.00 0.00 54.79 50.48 1s1m n ASP 451 Cb 0.70 -0.87 -0.03 0.00 -0.64 0.00 0.00 41.12 40.29 1s1m n ASP 451 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1s1m s SER 452 N -1.86 6.35 0.06 -2.24 1.04 -0.50 -5.01 113.70 111.54 1s1m s SER 452 Ca 0.60 0.25 -0.26 0.00 0.48 0.00 0.00 55.95 57.02 1s1m s SER 452 Cb 0.49 -1.94 -0.17 0.00 0.10 0.00 0.00 66.02 64.50 1s1m s SER 452 CO 0.03 0.00 1.56 0.25 0.98 0.00 0.00 173.24 176.06 1s1m h LEU 453 N 1.99 -0.24 -2.00 2.42 5.85 -1.93 -2.38 115.31 119.02 1s1m h LEU 453 Ca -0.49 -0.09 0.15 0.00 0.84 0.00 0.00 57.88 58.30 1s1m h LEU 453 Cb 1.20 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1s1m h LEU 453 CO 0.68 -0.06 0.46 0.58 -0.34 0.00 0.00 178.44 179.75 1s1m h VAL 454 N -0.41 0.51 -0.20 1.05 2.07 -1.94 0.24 116.25 117.56 1s1m h VAL 454 Ca -0.03 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 1s1m h VAL 454 Cb 0.32 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1s1m h VAL 454 CO 0.05 0.00 -0.45 -0.09 0.02 0.00 0.00 177.57 177.10 1s1m h ARG 455 N 0.00 0.51 0.37 1.57 1.12 -1.67 -2.39 114.38 113.88 1s1m h ARG 455 Ca 0.25 -0.28 -0.02 0.00 -1.11 0.00 0.00 59.98 58.83 1s1m h ARG 455 Cb 1.16 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.14 1s1m h ARG 455 CO -0.00 0.86 -0.18 1.96 -3.11 0.00 0.00 179.97 179.50 1s1m h GLN 456 N 0.41 -0.48 -0.43 0.20 4.20 -0.48 0.15 115.11 118.68 1s1m h GLN 456 Ca 0.03 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1s1m h GLN 456 Cb 0.95 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.77 1s1m h GLN 456 CO 0.08 -0.21 -0.49 -0.07 -0.67 0.00 0.00 178.83 177.47 1s1m h LEU 457 N -1.05 -1.66 -1.26 1.46 3.38 -1.32 0.31 115.31 115.16 1s1m h LEU 457 Ca -0.05 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1s1m h LEU 457 Cb 0.49 0.69 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1s1m h LEU 457 CO 0.08 -0.33 0.00 1.88 0.09 0.00 0.00 178.44 180.16 1s1m h TYR 458 N -0.30 0.00 -6.59 1.13 -1.99 -1.54 -3.46 116.97 104.23 1s1m h TYR 458 Ca 0.07 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.29 1s1m h TYR 458 Cb 0.49 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.18 1s1m h TYR 458 CO -0.76 0.00 -0.93 -1.71 -0.00 0.00 0.00 178.16 174.77 1s1m n ASN 459 N -2.84 -1.59 -3.54 3.88 5.15 0.11 -4.93 115.26 111.49 1s1m n ASN 459 Ca 0.01 -1.09 -0.10 0.00 -0.60 0.00 0.00 54.58 52.80 1s1m n ASN 459 Cb 0.28 -2.73 -0.04 0.00 -0.53 0.00 0.00 39.78 36.76 1s1m n ASN 459 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s1m s ALA 460 N -3.87 -1.88 0.03 5.20 0.00 -1.16 -5.05 121.76 115.03 1s1m s ALA 460 Ca 0.16 1.34 -0.18 0.00 0.00 0.00 0.00 51.96 53.28 1s1m s ALA 460 Cb -0.07 -0.21 -0.22 0.00 0.00 0.00 0.00 23.12 22.63 1s1m s ALA 460 CO 0.91 -0.46 1.16 -1.00 0.00 0.00 0.00 175.76 176.37 1s1m h PRO 461 N 2.39 0.49 -5.58 0.00 0.13 -1.89 -3.43 132.00 124.10 1s1m h PRO 461 Ca -0.20 -0.48 -0.49 0.00 -0.87 0.00 0.00 66.00 63.96 1s1m h PRO 461 Cb 1.19 0.13 -0.25 0.00 0.13 0.00 0.00 31.00 32.20 1s1m h PRO 461 CO 0.32 1.12 -0.81 0.95 -0.23 0.00 0.00 178.00 179.35 1s1m s THR 462 N -3.38 1.30 0.33 1.56 -4.23 -1.26 0.75 115.64 110.71 1s1m s THR 462 Ca -0.13 -1.11 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 1s1m s THR 462 Cb 0.05 -1.17 -0.06 0.00 1.34 0.00 0.00 72.50 72.66 1s1m s THR 462 CO 0.84 0.04 0.06 0.27 -0.54 0.00 0.00 174.62 175.29 1s1m s ILE 463 N -0.88 1.12 -0.10 2.99 -4.36 -0.46 -4.96 121.20 114.55 1s1m s ILE 463 Ca 0.03 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.44 1s1m s ILE 463 Cb -0.08 -2.75 0.01 0.00 1.25 0.00 0.00 42.46 40.89 1s1m s ILE 463 CO 0.02 0.00 -0.15 -0.69 0.24 0.00 0.00 174.94 174.36 1s1m s VAL 464 N -3.31 1.42 0.15 8.37 1.01 -1.26 -0.66 120.40 126.12 1s1m s VAL 464 Ca 0.36 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1s1m s VAL 464 Cb 0.08 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1s1m s VAL 464 CO 0.15 0.42 0.05 -1.61 0.00 0.00 0.00 175.10 174.12 1s1m s GLU 465 N 0.87 0.99 -0.14 2.72 0.41 -0.88 -4.91 118.70 117.77 1s1m s GLU 465 Ca -0.09 -1.48 -0.09 0.00 -0.41 0.00 0.00 54.97 52.90 1s1m s GLU 465 Cb -0.15 0.14 -0.04 0.00 -1.78 0.00 0.00 34.13 32.30 1s1m s GLU 465 CO 0.01 -0.25 0.17 1.03 -0.49 0.00 0.00 175.26 175.72 1s1m s ARG 466 N -4.03 3.78 0.11 1.61 0.52 -1.26 -0.45 118.95 119.22 1s1m s ARG 466 Ca 0.26 -0.10 0.07 0.00 -0.52 0.00 0.00 55.73 55.43 1s1m s ARG 466 Cb 0.07 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 1s1m s ARG 466 CO 0.03 0.58 -0.11 -1.01 0.02 0.00 0.00 175.30 174.80 1s1m s HIS 467 N -0.47 2.70 -0.46 -0.53 3.76 0.04 0.12 115.29 120.46 1s1m s HIS 467 Ca 0.13 -0.18 0.04 0.00 -0.15 0.00 0.00 55.06 54.91 1s1m s HIS 467 Cb -0.12 -1.42 0.23 0.00 1.11 0.00 0.00 32.58 32.38 1s1m s HIS 467 CO 0.03 0.42 0.92 -2.13 -0.85 0.00 0.00 174.74 173.13 1s1m n ARG 468 N 0.72 0.57 -3.43 1.40 0.63 -0.59 -0.54 116.66 115.42 1s1m n ARG 468 Ca -0.14 -1.57 -0.12 0.00 -0.92 0.00 0.00 57.85 55.11 1s1m n ARG 468 Cb 0.52 -1.16 -0.02 0.00 0.45 0.00 0.00 32.46 32.25 1s1m n ARG 468 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1s1m s HIS 469 N 0.66 -0.51 -0.10 -0.14 -3.43 -0.57 -4.98 115.29 106.22 1s1m s HIS 469 Ca 0.30 0.32 -0.06 0.00 -0.80 0.00 0.00 55.06 54.82 1s1m s HIS 469 Cb 0.17 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 31.83 1s1m s HIS 469 CO -0.17 -0.80 -0.15 0.54 -2.00 0.00 0.00 174.74 172.16 1s1m n ARG 470 N -0.35 0.24 -1.93 -0.38 1.74 -1.26 -0.39 116.66 114.33 1s1m n ARG 470 Ca -0.16 0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.62 1s1m n ARG 470 Cb 0.64 -0.90 -0.01 0.00 -1.02 0.00 0.00 32.46 31.17 1s1m n ARG 470 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1s1m s TYR 471 N -2.23 2.79 0.31 -1.55 1.51 -1.26 -4.58 117.35 112.34 1s1m s TYR 471 Ca -0.15 1.24 0.03 0.00 -1.01 0.00 0.00 57.07 57.17 1s1m s TYR 471 Cb 0.05 -3.89 -0.05 0.00 -0.11 0.00 0.00 41.96 37.97 1s1m s TYR 471 CO 0.20 -2.58 0.10 -1.21 -1.11 0.00 0.00 175.55 170.95 1s1m s GLU 472 N -1.81 1.61 -0.33 -0.62 0.41 -0.70 -4.77 118.70 112.49 1s1m s GLU 472 Ca 0.52 -1.91 -0.29 0.00 -0.41 0.00 0.00 54.97 52.88 1s1m s GLU 472 Cb -0.44 -0.52 0.00 0.00 -1.78 0.00 0.00 34.13 31.40 1s1m s GLU 472 CO 0.58 -0.31 1.37 0.08 -0.49 0.00 0.00 175.26 176.48 1s1m s VAL 473 N -3.48 4.02 -0.56 2.63 1.01 -1.26 -0.08 120.40 122.69 1s1m s VAL 473 Ca 0.35 1.12 -0.26 0.00 0.00 0.00 0.00 61.98 63.18 1s1m s VAL 473 Cb 0.07 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1s1m s VAL 473 CO 0.15 -0.55 2.09 0.21 0.00 0.00 0.00 175.10 177.00 1s1m s ASN 474 N 3.29 4.93 0.59 3.32 3.84 0.77 -4.75 114.94 126.93 1s1m s ASN 474 Ca 0.59 0.65 0.32 0.00 0.21 0.00 0.00 52.86 54.63 1s1m s ASN 474 Cb -0.16 -2.52 1.82 0.00 -0.55 0.00 0.00 41.25 39.84 1s1m s ASN 474 CO 0.27 -2.58 2.22 0.78 -2.79 0.00 0.00 177.10 175.00 1s1m h ASN 475 N 16.85 0.00 0.59 -4.21 2.35 -1.91 -0.67 115.58 128.58 1s1m h ASN 475 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1s1m h ASN 475 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1s1m h ASN 475 CO 1.19 0.03 0.00 0.23 -1.65 0.00 0.00 177.43 177.23 1s1m n MET 476 N -3.64 0.19 -0.00 0.81 2.81 -1.26 -2.64 117.12 113.39 1s1m n MET 476 Ca -0.03 0.48 0.04 0.00 -1.81 0.00 0.00 57.70 56.38 1s1m n MET 476 Cb 0.13 -1.91 -0.06 0.00 -0.71 0.00 0.00 33.22 30.67 1s1m n MET 476 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1s1m n LEU 477 N -2.28 0.16 -0.28 4.03 4.77 -0.30 -4.76 117.00 118.33 1s1m n LEU 477 Ca 0.01 -0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 1s1m n LEU 477 Cb 0.19 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 1s1m n LEU 477 CO 0.18 0.04 0.49 0.25 -1.33 0.00 0.00 177.39 177.02 1s1m h LEU 478 N 0.00 -1.77 -1.21 2.23 5.85 -1.21 -0.31 115.31 118.89 1s1m h LEU 478 Ca 0.00 0.26 0.28 0.00 0.84 0.00 0.00 57.88 59.26 1s1m h LEU 478 Cb 0.31 0.76 -0.11 0.00 0.37 0.00 0.00 40.66 41.99 1s1m h LEU 478 CO 0.00 -0.24 0.65 0.11 -0.34 0.00 0.00 178.44 178.62 1s1m h LYS 479 N -0.11 0.40 -0.09 1.25 1.79 -1.86 0.67 116.57 118.62 1s1m h LYS 479 Ca 0.11 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1s1m h LYS 479 Cb 0.40 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.92 1s1m h LYS 479 CO -0.71 0.27 -0.16 0.37 -1.08 0.00 0.00 179.45 178.14 1s1m h GLN 480 N 0.42 -0.21 -0.17 3.15 4.15 -1.38 0.45 115.11 121.52 1s1m h GLN 480 Ca 0.65 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 60.02 1s1m h GLN 480 Cb 1.54 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 29.28 1s1m h GLN 480 CO -0.41 -0.14 -0.14 0.82 -1.93 0.00 0.00 178.83 177.04 1s1m h ILE 481 N -0.21 1.33 -0.58 2.39 2.04 -0.66 -0.29 117.51 121.52 1s1m h ILE 481 Ca 0.08 -1.26 0.10 0.00 1.00 0.00 0.00 64.86 64.78 1s1m h ILE 481 Cb 0.33 1.79 -0.11 0.00 -0.74 0.00 0.00 36.82 38.09 1s1m h ILE 481 CO -0.22 0.38 -0.35 -0.33 0.00 0.00 0.00 178.15 177.63 1s1m h GLU 482 N 0.05 -0.17 -0.52 2.37 5.08 0.51 0.47 114.58 122.37 1s1m h GLU 482 Ca 0.03 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1s1m h GLU 482 Cb 0.65 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.86 1s1m h GLU 482 CO 0.04 -0.11 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.49 1s1m h ASP 483 N -0.17 -0.23 0.00 1.42 3.32 0.14 0.20 116.42 121.10 1s1m h ASP 483 Ca 0.22 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1s1m h ASP 483 Cb 0.55 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1s1m h ASP 483 CO -0.68 -0.08 0.00 0.00 -1.72 0.00 0.00 179.24 176.76 1s1m n ALA 484 N -2.70 1.51 0.00 3.45 0.00 0.16 -4.74 120.51 118.19 1s1m n ALA 484 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1s1m n ALA 484 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1s1m n ALA 484 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1m n GLY 485 N -0.83 1.07 3.64 0.00 0.00 0.69 -4.82 105.19 104.93 1s1m n GLY 485 Ca 0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1s1m n GLY 485 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s1m n LEU 486 N 0.00 3.35 -4.47 0.99 7.94 -1.00 -4.76 117.00 119.06 1s1m n LEU 486 Ca 0.00 0.98 -0.33 0.00 -1.11 0.00 0.00 56.01 55.54 1s1m n LEU 486 Cb 0.00 -1.40 -0.13 0.00 0.53 0.00 0.00 43.42 42.42 1s1m n LEU 486 CO 0.00 -1.38 -0.39 -0.13 -1.11 0.00 0.00 177.39 174.38 1s1m s ARG 487 N -2.31 3.46 -0.46 1.96 0.52 -0.70 -4.24 118.95 117.17 1s1m s ARG 487 Ca 0.67 -0.57 -0.20 0.00 -0.52 0.00 0.00 55.73 55.10 1s1m s ARG 487 Cb -0.50 -2.78 0.03 0.00 0.52 0.00 0.00 34.95 32.22 1s1m s ARG 487 CO 0.54 0.29 0.63 0.08 0.02 0.00 0.00 175.30 176.86 1s1m s VAL 488 N 0.20 4.85 -0.16 3.52 1.01 -1.26 -0.27 120.40 128.28 1s1m s VAL 488 Ca -0.04 -0.09 0.18 0.00 0.00 0.00 0.00 61.98 62.03 1s1m s VAL 488 Cb -0.14 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 1s1m s VAL 488 CO 0.04 -0.65 0.98 0.00 0.00 0.00 0.00 175.10 175.46 1s1m h ALA 489 N 8.91 0.63 -2.74 5.51 0.00 0.39 -3.45 119.26 128.51 1s1m h ALA 489 Ca -0.26 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 1s1m h ALA 489 Cb 1.10 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 1s1m h ALA 489 CO 0.91 0.62 0.20 0.20 0.00 0.00 0.00 179.25 181.18 1s1m s GLY 490 N -4.63 -0.61 0.04 0.00 0.00 -0.61 0.29 107.32 101.80 1s1m s GLY 490 Ca -0.01 0.70 -0.06 0.00 0.00 0.00 0.00 44.72 45.35 1s1m s GLY 490 CO 0.79 0.36 0.12 0.50 0.00 0.00 0.00 173.10 174.88 1s1m s ARG 491 N -3.08 0.62 0.07 2.90 0.52 -0.82 0.11 118.95 119.27 1s1m s ARG 491 Ca -0.02 -0.73 -0.23 0.00 -0.52 0.00 0.00 55.73 54.23 1s1m s ARG 491 Cb -0.01 0.25 -0.10 0.00 0.52 0.00 0.00 34.95 35.61 1s1m s ARG 491 CO -0.07 -0.16 1.36 0.66 0.02 0.00 0.00 175.30 177.11 1s1m h SER 492 N 3.59 -1.04 0.00 0.23 4.64 -0.02 -0.28 113.55 120.68 1s1m h SER 492 Ca -0.32 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1s1m h SER 492 Cb 1.19 0.38 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1s1m h SER 492 CO 0.50 -0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 1s1m n GLY 493 N -1.32 -0.02 0.00 -0.77 0.00 -1.26 -4.39 105.19 97.43 1s1m n GLY 493 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s1m n GLY 493 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s1m n ASP 494 N 0.00 0.00 0.00 1.61 2.03 -1.26 -1.92 116.55 117.01 1s1m n ASP 494 Ca 0.00 0.83 0.09 0.00 0.52 0.00 0.00 54.79 56.23 1s1m n ASP 494 Cb 0.00 -0.33 0.51 0.00 -0.72 0.00 0.00 41.12 40.59 1s1m n ASP 494 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1s1m n ASP 495 N -1.56 0.00 -3.97 1.67 -0.08 -1.26 -4.83 116.55 106.52 1s1m n ASP 495 Ca 0.00 -0.37 -0.27 0.00 -1.51 0.00 0.00 54.79 52.64 1s1m n ASP 495 Cb 0.00 -0.09 -0.02 0.00 2.34 0.00 0.00 41.12 43.35 1s1m n ASP 495 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1s1m n GLN 496 N -1.09 -3.44 -1.96 -0.67 6.02 -0.81 -4.88 117.38 110.55 1s1m n GLN 496 Ca 0.12 0.42 -0.40 0.00 -0.01 0.00 0.00 57.00 57.13 1s1m n GLN 496 Cb 0.09 -4.67 -0.00 0.00 1.02 0.00 0.00 30.24 26.68 1s1m n GLN 496 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1s1m s LEU 497 N -7.01 4.25 -0.08 1.08 1.02 -1.26 -4.61 118.68 112.08 1s1m s LEU 497 Ca 0.12 2.80 -0.30 0.00 0.02 0.00 0.00 54.13 56.77 1s1m s LEU 497 Cb -0.07 -3.81 -0.03 0.00 0.02 0.00 0.00 46.19 42.30 1s1m s LEU 497 CO 0.89 -0.86 1.25 -0.69 0.02 0.00 0.00 176.35 176.95 1s1m s VAL 498 N -1.20 4.19 -0.27 -1.59 1.01 -1.26 0.67 120.40 121.96 1s1m s VAL 498 Ca 0.55 1.50 -0.13 0.00 0.00 0.00 0.00 61.98 63.90 1s1m s VAL 498 Cb -0.41 -3.97 -0.13 0.00 0.00 0.00 0.00 36.38 31.86 1s1m s VAL 498 CO 0.54 -0.04 -0.27 -0.62 0.00 0.00 0.00 175.10 174.71 1s1m n GLU 499 N 5.66 0.59 -4.27 2.72 -0.58 0.29 -4.74 120.64 120.32 1s1m n GLU 499 Ca 0.12 0.29 -0.18 0.00 -0.42 0.00 0.00 57.16 56.97 1s1m n GLU 499 Cb 0.45 -1.53 -0.13 0.00 -0.57 0.00 0.00 31.44 29.67 1s1m n GLU 499 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1s1m s ILE 500 N -2.49 0.94 0.07 -3.67 1.01 -0.90 0.07 121.20 116.22 1s1m s ILE 500 Ca -0.37 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.37 1s1m s ILE 500 Cb 0.13 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 1s1m s ILE 500 CO 0.52 -0.07 -0.12 0.27 0.00 0.00 0.00 174.94 175.54 1s1m s ILE 501 N -0.90 0.98 0.09 2.92 -4.36 -0.11 0.10 121.20 119.93 1s1m s ILE 501 Ca -0.01 -1.34 0.05 0.00 -0.26 0.00 0.00 60.65 59.09 1s1m s ILE 501 Cb -0.08 -1.06 -0.03 0.00 1.25 0.00 0.00 42.46 42.54 1s1m s ILE 501 CO 0.01 -0.33 -0.13 -1.61 0.24 0.00 0.00 174.94 173.12 1s1m s GLU 502 N -1.95 0.86 -0.58 0.37 2.02 0.62 -2.40 118.70 117.64 1s1m s GLU 502 Ca -0.02 -1.05 -0.01 0.00 0.02 0.00 0.00 54.97 53.91 1s1m s GLU 502 Cb -0.08 -0.78 0.15 0.00 0.10 0.00 0.00 34.13 33.51 1s1m s GLU 502 CO 0.02 0.16 0.38 0.08 0.02 0.00 0.00 175.26 175.91 1s1m s VAL 503 N -1.68 3.38 0.32 2.63 1.01 -1.19 -1.72 120.40 123.15 1s1m s VAL 503 Ca 0.02 -3.00 0.14 0.00 0.00 0.00 0.00 61.98 59.14 1s1m s VAL 503 Cb -0.08 -3.24 0.33 0.00 0.00 0.00 0.00 36.38 33.39 1s1m s VAL 503 CO 0.02 -0.84 1.42 -0.81 0.00 0.00 0.00 175.10 174.89 1s1m n PRO 504 N 3.46 -0.06 -0.63 2.72 -0.04 -1.26 -1.76 135.00 137.43 1s1m n PRO 504 Ca 0.07 1.28 -0.12 0.00 -0.04 0.00 0.00 63.50 64.68 1s1m n PRO 504 Cb 0.37 -2.21 0.09 0.00 -0.04 0.00 0.00 33.50 31.70 1s1m n PRO 504 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1s1m n ASN 505 N -5.12 3.46 -4.33 3.54 3.02 -1.26 -4.88 115.26 109.69 1s1m n ASN 505 Ca 0.31 -2.82 -0.28 0.00 -0.03 0.00 0.00 54.58 51.75 1s1m n ASN 505 Cb 1.03 -0.68 -0.14 0.00 -0.61 0.00 0.00 39.78 39.38 1s1m n ASN 505 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1s1m s HIS 506 N -1.68 2.15 0.10 3.10 2.46 -0.72 -5.00 115.29 115.70 1s1m s HIS 506 Ca 0.29 -0.40 -0.31 0.00 0.47 0.00 0.00 55.06 55.11 1s1m s HIS 506 Cb 0.24 -1.25 -0.12 0.00 -0.13 0.00 0.00 32.58 31.33 1s1m s HIS 506 CO 0.05 0.17 1.59 -1.00 -2.47 0.00 0.00 174.74 173.09 1s1m h PRO 507 N 4.55 -0.69 -1.21 2.88 0.13 -1.86 -3.42 132.00 132.38 1s1m h PRO 507 Ca -0.46 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1s1m h PRO 507 Cb 1.16 0.16 -0.23 0.00 0.13 0.00 0.00 31.00 32.21 1s1m h PRO 507 CO 0.42 -0.46 -0.37 -0.46 -0.23 0.00 0.00 178.00 176.91 1s1m s TRP 508 N -5.94 -1.51 -0.26 1.56 -0.00 -1.26 -5.06 118.94 106.47 1s1m s TRP 508 Ca -0.17 1.23 -0.03 0.00 -0.00 0.00 0.00 56.10 57.14 1s1m s TRP 508 Cb 0.07 0.33 0.09 0.00 -0.00 0.00 0.00 33.47 33.95 1s1m s TRP 508 CO 0.63 -0.94 0.10 0.12 -0.00 0.00 0.00 176.95 176.86 1s1m s PHE 509 N 2.77 0.82 0.04 5.86 5.36 -1.26 0.38 117.98 131.95 1s1m s PHE 509 Ca 0.15 -1.03 0.04 0.00 -0.96 0.00 0.00 56.93 55.14 1s1m s PHE 509 Cb -0.13 -1.11 -0.02 0.00 -0.34 0.00 0.00 43.02 41.41 1s1m s PHE 509 CO -0.23 -0.75 -0.13 0.08 -1.46 0.00 0.00 175.22 172.73 1s1m s VAL 510 N 1.93 1.02 -0.18 3.12 1.01 -0.66 -3.14 120.40 123.50 1s1m s VAL 510 Ca 0.06 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1s1m s VAL 510 Cb -0.17 -0.93 0.07 0.00 0.00 0.00 0.00 36.38 35.35 1s1m s VAL 510 CO -0.24 -0.02 0.41 0.00 0.00 0.00 0.00 175.10 175.25 1s1m s ALA 511 N -0.85 -1.06 0.26 5.51 0.00 -1.01 -1.85 121.76 122.76 1s1m s ALA 511 Ca 0.01 1.49 0.10 0.00 0.00 0.00 0.00 51.96 53.56 1s1m s ALA 511 Cb -0.08 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1s1m s ALA 511 CO 0.01 -0.44 -0.16 0.00 0.00 0.00 0.00 175.76 175.17 1s1m h GLN 513 N 2.34 0.12 -7.13 0.00 1.08 -0.67 0.29 115.11 111.15 1s1m h GLN 513 Ca -0.40 -0.20 -0.41 0.00 -1.45 0.00 0.00 58.65 56.19 1s1m h GLN 513 Cb 1.24 0.08 0.21 0.00 -0.05 0.00 0.00 27.48 28.96 1s1m h GLN 513 CO 0.62 1.10 -0.03 -0.59 -0.95 0.00 0.00 178.83 178.98 1s1m s PHE 514 N -2.35 0.29 -0.72 2.96 -0.12 -1.26 -3.22 117.98 113.56 1s1m s PHE 514 Ca -0.20 0.77 -0.04 0.00 -0.05 0.00 0.00 56.93 57.41 1s1m s PHE 514 Cb 0.01 -3.05 0.19 0.00 -0.63 0.00 0.00 43.02 39.54 1s1m s PHE 514 CO 0.72 -4.41 0.57 -1.01 -0.05 0.00 0.00 175.22 171.05 1s1m s HIS 515 N -2.46 3.57 0.31 3.49 3.76 0.32 -4.20 115.29 120.07 1s1m s HIS 515 Ca 0.69 -2.69 0.06 0.00 -0.15 0.00 0.00 55.06 52.97 1s1m s HIS 515 Cb -0.17 -3.30 0.75 0.00 1.11 0.00 0.00 32.58 30.97 1s1m s HIS 515 CO 0.60 -0.84 1.78 -1.00 -0.85 0.00 0.00 174.74 174.43 1s1m h PRO 516 N 6.88 0.73 -0.53 8.40 0.13 -1.94 -0.72 132.00 144.95 1s1m h PRO 516 Ca 0.05 -0.04 0.15 0.00 -0.87 0.00 0.00 66.00 65.29 1s1m h PRO 516 Cb 0.93 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 1s1m h PRO 516 CO 0.75 0.49 0.58 1.05 -0.23 0.00 0.00 178.00 180.64 1s1m h GLU 517 N 0.76 0.00 0.00 0.86 9.09 -1.91 0.29 114.58 123.67 1s1m h GLU 517 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.99 1s1m h GLU 517 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.02 1s1m h GLU 517 CO -0.38 0.00 0.00 1.19 0.05 0.00 0.00 179.01 179.87 1s1m n PHE 518 N -3.64 0.00 0.02 2.06 0.99 -0.28 -2.82 117.46 113.79 1s1m n PHE 518 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 1s1m n PHE 518 Cb 0.78 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 39.26 1s1m n PHE 518 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1s1m n THR 519 N -1.00 0.00 -1.86 4.37 -2.24 0.10 -5.02 114.28 108.63 1s1m n THR 519 Ca 0.19 -0.49 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 1s1m n THR 519 Cb 0.09 1.00 0.04 0.00 -2.10 0.00 0.00 70.33 69.36 1s1m n THR 519 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1s1m s SER 520 N -0.88 5.13 -0.04 3.42 0.15 -1.13 -4.92 113.70 115.43 1s1m s SER 520 Ca 0.00 2.61 -0.10 0.00 0.70 0.00 0.00 55.95 59.16 1s1m s SER 520 Cb 0.00 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 1s1m s SER 520 CO 0.01 -1.65 0.24 -0.89 1.20 0.00 0.00 173.24 172.15 1s1m s THR 521 N -1.41 0.04 0.35 6.45 2.01 -1.21 -4.82 115.64 117.07 1s1m s THR 521 Ca 0.75 -0.35 0.11 0.00 0.31 0.00 0.00 61.69 62.51 1s1m s THR 521 Cb -0.37 -0.46 0.09 0.00 0.01 0.00 0.00 72.50 71.78 1s1m s THR 521 CO 0.41 -0.19 1.81 1.55 -0.69 0.00 0.00 174.62 177.51 1s1m h PRO 522 N 4.75 0.10 -0.00 4.92 0.13 -1.91 0.69 132.00 140.68 1s1m h PRO 522 Ca -0.28 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.68 1s1m h PRO 522 Cb 1.19 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1s1m h PRO 522 CO 0.38 0.43 -0.50 0.00 -0.23 0.00 0.00 178.00 178.08 1s1m h ARG 523 N 0.09 0.34 -0.01 0.86 3.08 -1.93 -3.36 114.38 113.44 1s1m h ARG 523 Ca 0.01 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1s1m h ARG 523 Cb 0.65 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1s1m h ARG 523 CO 0.05 1.05 -0.17 -0.25 -1.07 0.00 0.00 179.97 179.58 1s1m n ASP 524 N -4.30 1.80 0.00 7.04 8.00 -1.21 -5.08 116.55 122.80 1s1m n ASP 524 Ca -0.10 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.00 1s1m n ASP 524 Cb 0.63 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 1s1m n ASP 524 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s1m n GLY 525 N 0.97 0.97 3.63 0.44 0.00 0.24 -4.85 105.19 106.59 1s1m n GLY 525 Ca 0.07 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.35 1s1m n GLY 525 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s1m s HIS 526 N 0.00 -1.31 0.25 1.61 2.46 -1.26 -3.28 115.29 113.76 1s1m s HIS 526 Ca 0.00 2.29 -0.09 0.00 0.47 0.00 0.00 55.06 57.73 1s1m s HIS 526 Cb 0.00 0.78 0.41 0.00 -0.13 0.00 0.00 32.58 33.63 1s1m s HIS 526 CO 0.00 -0.65 1.59 -1.35 -2.47 0.00 0.00 174.74 171.86 1s1m h PRO 527 N 7.97 0.02 0.67 2.88 0.11 -1.91 0.93 132.00 142.67 1s1m h PRO 527 Ca -0.18 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.89 1s1m h PRO 527 Cb 1.11 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1s1m h PRO 527 CO 0.10 0.01 -0.32 -0.07 -0.21 0.00 0.00 178.00 177.51 1s1m h LEU 528 N 0.02 -0.77 -0.48 2.35 3.38 -1.97 -0.15 115.31 117.68 1s1m h LEU 528 Ca 0.42 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.47 1s1m h LEU 528 Cb 0.68 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 1s1m h LEU 528 CO -0.84 -0.47 0.10 -0.26 0.09 0.00 0.00 178.44 177.07 1s1m h PHE 529 N -1.04 0.17 0.11 1.13 -1.00 -1.63 0.69 116.94 115.36 1s1m h PHE 529 Ca -0.09 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.72 1s1m h PHE 529 Cb 0.73 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.25 1s1m h PHE 529 CO -0.01 0.01 -0.38 0.00 -1.61 0.00 0.00 178.31 176.32 1s1m h ALA 530 N 1.37 -0.89 -0.66 2.45 0.00 0.90 0.44 119.26 122.87 1s1m h ALA 530 Ca 0.24 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.20 1s1m h ALA 530 Cb 0.31 0.76 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 1s1m h ALA 530 CO -0.31 -0.98 0.16 0.78 0.00 0.00 0.00 179.25 178.90 1s1m h GLY 531 N -0.56 0.88 0.99 0.00 0.00 -0.26 -0.46 103.07 103.67 1s1m h GLY 531 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1s1m h GLY 531 CO -0.20 -0.14 0.31 -2.75 0.00 0.00 0.00 176.54 173.77 1s1m h PHE 532 N 0.28 0.68 -0.56 5.60 3.04 0.94 -2.19 116.94 124.73 1s1m h PHE 532 Ca 0.36 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.24 1s1m h PHE 532 Cb 0.55 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1s1m h PHE 532 CO -0.25 0.47 0.11 0.28 -2.02 0.00 0.00 178.31 176.91 1s1m h VAL 533 N 0.69 1.25 -0.32 1.41 2.07 0.12 -1.62 116.25 119.85 1s1m h VAL 533 Ca 0.19 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1s1m h VAL 533 Cb -0.01 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 30.45 1s1m h VAL 533 CO -0.03 0.34 -0.34 0.50 0.02 0.00 0.00 177.57 178.06 1s1m h LYS 534 N 0.82 -0.29 -0.77 1.57 3.64 -0.94 0.06 116.57 120.66 1s1m h LYS 534 Ca 0.17 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.65 1s1m h LYS 534 Cb 0.39 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.21 1s1m h LYS 534 CO 0.01 -0.19 0.43 0.00 -2.27 0.00 0.00 179.45 177.42 1s1m h ALA 535 N 0.62 1.07 -0.66 5.00 0.00 -1.20 0.43 119.26 124.51 1s1m h ALA 535 Ca 0.15 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1s1m h ALA 535 Cb 0.55 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1s1m h ALA 535 CO -0.49 0.08 0.43 0.00 0.00 0.00 0.00 179.25 179.27 1s1m h ALA 536 N 1.42 1.69 0.76 0.00 0.00 -0.04 0.87 119.26 123.96 1s1m h ALA 536 Ca 0.36 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1s1m h ALA 536 Cb 0.29 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1s1m h ALA 536 CO -0.23 0.22 -0.37 1.03 0.00 0.00 0.00 179.25 179.91 1s1m h SER 537 N 0.73 -0.87 -0.73 0.00 0.87 0.35 -1.44 113.55 112.46 1s1m h SER 537 Ca 0.27 0.01 0.14 0.00 -1.23 0.00 0.00 61.79 60.99 1s1m h SER 537 Cb 0.16 0.22 -0.14 0.00 -0.44 0.00 0.00 62.40 62.21 1s1m h SER 537 CO -0.08 -0.53 -0.23 -0.33 -0.53 0.00 0.00 176.83 175.13 1s1m h GLU 538 N -1.19 -0.04 0.33 2.24 5.08 -0.66 0.18 114.58 120.52 1s1m h GLU 538 Ca -0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1s1m h GLU 538 Cb 0.80 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1s1m h GLU 538 CO 0.17 -0.03 -0.50 0.35 -1.00 0.00 0.00 179.01 178.00 1s1m h PHE 539 N -0.04 -1.42 -0.97 4.33 3.57 -0.81 0.04 116.94 121.65 1s1m h PHE 539 Ca 0.33 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.96 1s1m h PHE 539 Cb 0.55 0.58 -0.13 0.00 2.79 0.00 0.00 35.95 39.74 1s1m h PHE 539 CO -0.62 -0.63 -0.51 0.94 -2.23 0.00 0.00 178.31 175.26 1s1m n GLN 540 N -5.53 -0.36 0.00 1.11 0.00 0.45 0.30 117.38 113.36 1s1m n GLN 540 Ca -0.10 1.47 0.00 0.00 -0.00 0.00 0.00 57.00 58.37 1s1m n GLN 540 Cb 0.44 -2.17 0.00 0.00 0.00 0.00 0.00 30.24 28.51 1s1m n GLN 540 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1s1m n LYS 541 N -5.28 0.00 -0.19 3.69 5.02 -0.12 -3.04 118.16 118.24 1s1m n LYS 541 Ca 0.04 0.42 -0.05 0.00 -2.02 0.00 0.00 58.31 56.71 1s1m n LYS 541 Cb 0.29 -1.33 -0.04 0.00 -0.02 0.00 0.00 35.03 33.93 1s1m n LYS 541 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1s1m n ARG 542 N -1.64 -0.20 -0.04 1.97 1.74 -0.04 -0.95 116.66 117.50 1s1m n ARG 542 Ca 0.00 0.75 -0.01 0.00 -0.77 0.00 0.00 57.85 57.83 1s1m n ARG 542 Cb 0.00 -1.11 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 1s1m n ARG 542 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1s1m n GLN 543 N -4.34 0.09 0.00 5.56 3.00 0.15 -5.10 117.38 116.73 1s1m n GLN 543 Ca 0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1s1m n GLN 543 Cb 0.12 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 28.77 1s1m n GLN 543 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06