#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa1 s GLU 3 N 0.00 0.00 0.17 5.56 2.02 -1.09 -4.87 118.70 120.48 1sa1 s GLU 3 Ca 0.00 0.00 0.11 0.00 0.02 0.00 0.00 54.97 55.10 1sa1 s GLU 3 Cb 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 34.13 34.19 1sa1 s GLU 3 CO 0.00 -0.00 -0.23 -1.50 0.02 0.00 0.00 175.26 173.55 1sa1 s ILE 4 N 0.99 2.46 0.20 -1.63 2.07 -1.11 0.25 121.20 124.43 1sa1 s ILE 4 Ca -0.08 -1.86 0.08 0.00 -1.41 0.00 0.00 60.65 57.38 1sa1 s ILE 4 Cb -0.02 -2.15 -0.05 0.00 0.13 0.00 0.00 42.46 40.37 1sa1 s ILE 4 CO -0.09 -0.04 -0.16 0.68 -1.91 0.00 0.00 174.94 173.43 1sa1 s VAL 5 N -1.45 1.81 -0.03 4.00 -7.23 -1.10 -4.53 120.40 111.87 1sa1 s VAL 5 Ca 0.19 -2.17 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1sa1 s VAL 5 Cb -0.09 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.84 1sa1 s VAL 5 CO 0.09 -0.53 -0.05 -2.28 -0.31 0.00 0.00 175.10 172.02 1sa1 s HIS 6 N -2.75 0.72 -0.12 2.82 2.46 -0.99 -2.59 115.29 114.84 1sa1 s HIS 6 Ca 0.22 -0.18 0.02 0.00 0.47 0.00 0.00 55.06 55.59 1sa1 s HIS 6 Cb -0.02 -0.59 -0.00 0.00 -0.13 0.00 0.00 32.58 31.84 1sa1 s HIS 6 CO 0.07 -0.13 -0.20 0.42 -2.47 0.00 0.00 174.74 172.43 1sa1 s ILE 7 N 0.56 2.34 -0.40 0.89 1.01 -0.19 -0.80 121.20 124.61 1sa1 s ILE 7 Ca -0.07 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1sa1 s ILE 7 Cb -0.11 -1.94 0.13 0.00 0.01 0.00 0.00 42.46 40.55 1sa1 s ILE 7 CO 0.00 0.54 0.21 -1.58 0.00 0.00 0.00 174.94 174.11 1sa1 s GLN 8 N 0.53 1.03 -0.05 2.79 0.74 -0.31 -0.56 119.66 123.83 1sa1 s GLN 8 Ca -0.13 -1.69 0.04 0.00 0.05 0.00 0.00 55.36 53.64 1sa1 s GLN 8 Cb -0.17 -2.06 -0.00 0.00 1.10 0.00 0.00 33.01 31.88 1sa1 s GLN 8 CO 0.04 -1.14 -0.18 0.00 -0.55 0.00 0.00 175.29 173.46 1sa1 s ALA 9 N 0.74 1.63 0.00 1.58 0.00 -0.67 -2.46 121.76 122.59 1sa1 s ALA 9 Ca 0.16 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1sa1 s ALA 9 Cb -0.23 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1sa1 s ALA 9 CO -0.04 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.42 1sa1 n GLY 10 N 3.17 0.85 0.14 0.00 0.00 -0.82 -4.17 105.19 104.36 1sa1 n GLY 10 Ca -0.18 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 44.82 1sa1 n GLY 10 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sa1 n GLN 11 N 2.75 -0.03 0.07 1.61 7.27 -1.26 0.13 117.38 127.93 1sa1 n GLN 11 Ca 0.00 0.58 -0.03 0.00 0.07 0.00 0.00 57.00 57.62 1sa1 n GLN 11 Cb 0.00 -1.02 -0.02 0.00 2.41 0.00 0.00 30.24 31.61 1sa1 n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sa1 n GLY 13 N 0.36 -0.62 0.09 0.00 0.00 0.35 0.04 105.19 105.40 1sa1 n GLY 13 Ca -0.03 0.56 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 1sa1 n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1sa1 h ASN 14 N 0.00 -0.06 -0.87 1.61 4.21 -1.10 -2.19 115.58 117.17 1sa1 h ASN 14 Ca 0.65 -0.58 -0.01 0.00 1.21 0.00 0.00 56.30 57.58 1sa1 h ASN 14 Cb 2.11 0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 39.28 1sa1 h ASN 14 CO -0.35 0.60 0.51 -0.61 -1.29 0.00 0.00 177.43 176.29 1sa1 h GLN 15 N -0.78 1.19 -0.90 0.81 4.15 -0.08 0.20 115.11 119.71 1sa1 h GLN 15 Ca -0.01 -0.12 0.10 0.00 0.77 0.00 0.00 58.65 59.39 1sa1 h GLN 15 Cb 0.63 -0.25 -0.08 0.00 0.21 0.00 0.00 27.48 28.00 1sa1 h GLN 15 CO 0.01 0.85 0.54 0.97 -1.93 0.00 0.00 178.83 179.27 1sa1 h ILE 16 N 1.21 0.94 0.11 2.39 2.10 -0.41 0.14 117.51 123.99 1sa1 h ILE 16 Ca 0.31 -0.31 -0.28 0.00 1.08 0.00 0.00 64.86 65.66 1sa1 h ILE 16 Cb -0.03 -0.04 -0.00 0.00 -1.09 0.00 0.00 36.82 35.66 1sa1 h ILE 16 CO -0.06 0.16 -1.30 1.23 -1.08 0.00 0.00 178.15 177.11 1sa1 h GLY 17 N 0.90 0.28 0.75 8.18 0.00 -0.66 0.08 103.07 112.60 1sa1 h GLY 17 Ca 0.43 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1sa1 h GLY 17 CO -0.24 0.62 -0.34 0.00 0.00 0.00 0.00 176.54 176.58 1sa1 h ALA 18 N 0.60 -0.95 -0.88 3.60 0.00 -0.10 0.93 119.26 122.45 1sa1 h ALA 18 Ca -0.15 -0.22 0.21 0.00 0.00 0.00 0.00 54.91 54.76 1sa1 h ALA 18 Cb 1.97 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 20.07 1sa1 h ALA 18 CO 0.19 -0.90 0.60 1.57 0.00 0.00 0.00 179.25 180.70 1sa1 h LYS 19 N -1.22 0.29 0.00 0.00 2.10 -0.83 0.09 116.57 117.00 1sa1 h LYS 19 Ca -0.10 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1sa1 h LYS 19 Cb 0.74 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1sa1 h LYS 19 CO 0.16 0.19 0.00 0.34 -2.00 0.00 0.00 179.45 178.14 1sa1 n PHE 20 N -4.45 0.00 -0.31 0.07 -0.00 0.02 -2.77 117.46 110.01 1sa1 n PHE 20 Ca 0.19 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.80 1sa1 n PHE 20 Cb 0.76 -0.44 0.33 0.00 -0.00 0.00 0.00 39.48 40.13 1sa1 n PHE 20 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 1sa1 h TRP 21 N 0.00 0.33 0.00 -5.13 4.06 0.24 0.97 115.95 116.42 1sa1 h TRP 21 Ca 0.00 0.05 -0.04 0.00 2.06 0.00 0.00 58.89 60.97 1sa1 h TRP 21 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 1sa1 h TRP 21 CO 0.19 -0.29 -0.17 1.05 -3.56 0.00 0.00 178.44 175.66 1sa1 h GLU 22 N 0.14 0.00 -0.01 0.49 4.11 -1.16 0.11 114.58 118.25 1sa1 h GLU 22 Ca 0.60 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 60.00 1sa1 h GLU 22 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1sa1 h GLU 22 CO -0.73 0.17 -0.14 -0.24 0.07 0.00 0.00 179.01 178.15 1sa1 h VAL 23 N 0.00 1.53 -0.31 -1.06 3.04 0.11 -3.22 116.25 116.34 1sa1 h VAL 23 Ca -0.00 -1.75 -0.15 0.00 -1.01 0.00 0.00 66.70 63.78 1sa1 h VAL 23 Cb 0.83 2.64 -0.01 0.00 -2.01 0.00 0.00 31.29 32.74 1sa1 h VAL 23 CO 0.02 0.47 -0.42 -0.29 -1.01 0.00 0.00 177.57 176.35 1sa1 h ILE 24 N -0.54 1.29 -0.98 3.17 2.10 -1.35 -2.85 117.51 118.35 1sa1 h ILE 24 Ca -0.01 -1.60 0.03 0.00 1.08 0.00 0.00 64.86 64.36 1sa1 h ILE 24 Cb 0.84 1.49 -0.06 0.00 -1.09 0.00 0.00 36.82 38.01 1sa1 h ILE 24 CO 0.03 0.52 0.64 0.28 -1.08 0.00 0.00 178.15 178.54 1sa1 h SER 25 N 0.63 1.08 -0.34 2.19 0.02 -0.88 0.13 113.55 116.37 1sa1 h SER 25 Ca 0.05 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1sa1 h SER 25 Cb 0.98 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1sa1 h SER 25 CO 0.09 0.75 0.00 -0.67 -1.14 0.00 0.00 176.83 175.86 1sa1 n ASP 26 N -4.45 1.99 0.06 3.07 -0.08 -1.20 -0.72 116.55 115.22 1sa1 n ASP 26 Ca 0.13 -1.95 -0.12 0.00 -1.51 0.00 0.00 54.79 51.34 1sa1 n ASP 26 Cb 0.08 -0.23 -0.13 0.00 2.34 0.00 0.00 41.12 43.18 1sa1 n ASP 26 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1sa1 h GLU 27 N 2.24 0.14 -0.01 -0.67 4.81 -0.50 -3.35 114.58 117.24 1sa1 h GLU 27 Ca 0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1sa1 h GLU 27 Cb 0.51 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1sa1 h GLU 27 CO 0.00 1.02 -0.70 0.72 -0.73 0.00 0.00 179.01 179.32 1sa1 n HIS 28 N -3.38 0.00 -1.40 0.92 8.25 -0.86 -4.96 115.22 113.79 1sa1 n HIS 28 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1sa1 n HIS 28 Cb 1.00 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 32.07 1sa1 n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sa1 n GLY 29 N 1.46 0.62 3.53 -1.41 0.00 0.10 -4.79 105.19 104.70 1sa1 n GLY 29 Ca 0.07 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1sa1 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sa1 s ILE 30 N -2.63 3.58 0.48 -0.61 1.09 -0.59 -2.27 121.20 120.25 1sa1 s ILE 30 Ca 0.00 -0.51 -0.02 0.00 -1.10 0.00 0.00 60.65 59.02 1sa1 s ILE 30 Cb 0.00 -2.48 -0.01 0.00 -1.06 0.00 0.00 42.46 38.91 1sa1 s ILE 30 CO 0.00 0.57 0.73 -1.81 -0.10 0.00 0.00 174.94 174.33 1sa1 s ASP 31 N -0.45 5.89 0.38 3.58 1.01 -1.16 -4.56 116.67 121.36 1sa1 s ASP 31 Ca 0.06 0.50 0.25 0.00 0.71 0.00 0.00 52.55 54.07 1sa1 s ASP 31 Cb -0.12 -1.73 1.32 0.00 1.01 0.00 0.00 42.92 43.40 1sa1 s ASP 31 CO 0.02 -0.72 1.45 -2.65 0.21 0.00 0.00 175.17 173.48 1sa1 n PRO 32 N -2.19 -0.04 0.05 8.23 -0.02 -1.26 -2.87 135.00 136.89 1sa1 n PRO 32 Ca 0.01 1.21 0.00 0.00 -2.02 0.00 0.00 63.50 62.71 1sa1 n PRO 32 Cb 0.57 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1sa1 n PRO 32 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1sa1 n THR 33 N -4.80 1.12 -0.27 3.45 -1.04 -1.26 -2.18 114.28 109.29 1sa1 n THR 33 Ca 0.36 0.37 -0.08 0.00 -2.04 0.00 0.00 64.05 62.67 1sa1 n THR 33 Cb 1.33 -1.50 0.01 0.00 -1.82 0.00 0.00 70.33 68.35 1sa1 n THR 33 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sa1 n GLY 34 N 3.39 -0.68 0.00 3.41 0.00 -1.14 -3.79 105.19 106.38 1sa1 n GLY 34 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1sa1 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sa1 n SER 35 N 0.99 0.00 -4.81 1.61 3.41 -1.26 -2.97 113.62 110.59 1sa1 n SER 35 Ca -0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.22 1sa1 n SER 35 Cb 0.15 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.04 1sa1 n SER 35 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1sa1 s TYR 36 N 2.98 3.74 -0.37 7.33 6.14 -1.25 -3.21 117.35 132.72 1sa1 s TYR 36 Ca 0.00 1.12 0.13 0.00 0.64 0.00 0.00 57.07 58.95 1sa1 s TYR 36 Cb 0.00 -2.41 0.41 0.00 0.42 0.00 0.00 41.96 40.38 1sa1 s TYR 36 CO 0.00 0.57 1.11 0.72 0.64 0.00 0.00 175.55 178.59 1sa1 n HIS 37 N 1.96 -0.74 -3.31 4.97 8.25 -0.96 -5.03 115.22 120.37 1sa1 n HIS 37 Ca -0.12 -2.47 -0.11 0.00 -0.26 0.00 0.00 57.72 54.77 1sa1 n HIS 37 Cb 0.52 0.59 -0.05 0.00 1.12 0.00 0.00 29.99 32.16 1sa1 n HIS 37 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1sa1 s GLY 38 N -2.13 -0.45 0.00 -1.41 0.00 -1.26 -4.97 107.32 97.10 1sa1 s GLY 38 Ca 0.26 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1sa1 s GLY 38 CO -0.03 3.06 0.00 1.22 0.00 0.00 0.00 173.10 177.35 1sa1 n ASP 39 N 4.30 0.00 -4.70 1.64 9.92 -1.26 -4.53 116.55 121.93 1sa1 n ASP 39 Ca 0.11 -0.07 -0.35 0.00 -0.53 0.00 0.00 54.79 53.95 1sa1 n ASP 39 Cb 0.49 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.88 1sa1 n ASP 39 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1sa1 s SER 40 N 0.92 5.56 -0.13 -2.24 1.04 -1.26 -5.07 113.70 112.52 1sa1 s SER 40 Ca 0.00 0.18 -0.28 0.00 0.48 0.00 0.00 55.95 56.33 1sa1 s SER 40 Cb 0.00 -1.76 -0.26 0.00 0.10 0.00 0.00 66.02 64.10 1sa1 s SER 40 CO 0.00 0.32 0.76 -0.78 0.98 0.00 0.00 173.24 174.52 1sa1 h ASP 41 N 5.64 0.07 0.00 7.02 1.82 -2.04 -3.43 116.42 125.51 1sa1 h ASP 41 Ca -0.47 -0.97 0.00 0.00 -0.39 0.00 0.00 57.03 55.20 1sa1 h ASP 41 Cb 1.19 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.18 1sa1 h ASP 41 CO 0.60 1.08 0.00 0.18 -1.61 0.00 0.00 179.24 179.49 1sa1 n LEU 42 N -4.53 0.00 0.00 2.28 7.99 -1.26 -3.88 117.00 117.60 1sa1 n LEU 42 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 1sa1 n LEU 42 Cb 0.54 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.85 1sa1 n LEU 42 CO 0.35 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.23 1sa1 n GLN 43 N 0.00 0.00 0.22 3.23 6.02 -1.26 -2.14 117.38 123.45 1sa1 n GLN 43 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 1sa1 n GLN 43 Cb 0.00 0.00 0.51 0.00 1.02 0.00 0.00 30.24 31.77 1sa1 n GLN 43 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1sa1 h LEU 44 N 0.00 0.00 -0.98 1.08 5.85 -1.88 -3.25 115.31 116.14 1sa1 h LEU 44 Ca 0.00 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.87 1sa1 h LEU 44 Cb 0.00 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 40.87 1sa1 h LEU 44 CO 0.00 0.25 -0.38 -0.33 -0.34 0.00 0.00 178.44 177.64 1sa1 h GLU 47 N 0.00 -0.01 -0.05 1.25 4.39 -1.72 -0.96 114.58 117.49 1sa1 h GLU 47 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sa1 h GLU 47 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1sa1 h GLU 47 CO 0.03 -0.01 0.00 0.54 -1.16 0.00 0.00 179.01 178.42 1sa1 n ARG 48 N -5.48 2.19 -0.49 2.33 5.12 -1.25 -4.29 116.66 114.79 1sa1 n ARG 48 Ca 0.10 -1.73 0.40 0.00 -1.93 0.00 0.00 57.85 54.69 1sa1 n ARG 48 Cb 0.40 -1.47 0.69 0.00 -1.16 0.00 0.00 32.46 30.93 1sa1 n ARG 48 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1sa1 h ILE 49 N 4.17 0.10 0.00 0.55 2.04 -1.20 0.77 117.51 123.94 1sa1 h ILE 49 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1sa1 h ILE 49 Cb 0.89 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1sa1 h ILE 49 CO 0.00 0.01 0.00 -3.20 0.00 0.00 0.00 178.15 174.96 1sa1 n ASN 50 N -4.54 0.00 0.18 1.72 5.15 -1.26 -1.65 115.26 114.87 1sa1 n ASN 50 Ca 0.38 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.46 1sa1 n ASN 50 Cb 1.54 0.00 0.52 0.00 -0.53 0.00 0.00 39.78 41.31 1sa1 n ASN 50 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1sa1 h VAL 51 N 0.00 0.00 0.00 3.44 2.07 0.24 -2.41 116.25 119.59 1sa1 h VAL 51 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sa1 h VAL 51 Cb 0.00 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1sa1 h VAL 51 CO 0.00 0.00 -0.06 -1.22 0.02 0.00 0.00 177.57 176.31 1sa1 n TYR 52 N -2.24 0.00 -3.73 1.57 4.02 -1.04 -2.74 117.16 112.99 1sa1 n TYR 52 Ca -0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.61 1sa1 n TYR 52 Cb 0.20 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.35 1sa1 n TYR 52 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1sa1 s TYR 53 N -0.72 0.94 0.34 -0.72 1.51 -0.66 -2.15 117.35 115.89 1sa1 s TYR 53 Ca 0.00 -0.75 -0.28 0.00 -1.01 0.00 0.00 57.07 55.03 1sa1 s TYR 53 Cb 0.00 -0.99 -0.09 0.00 -0.11 0.00 0.00 41.96 40.77 1sa1 s TYR 53 CO 0.00 -0.57 1.19 1.21 -1.11 0.00 0.00 175.55 176.27 1sa1 s ASN 54 N 1.88 6.87 -0.19 2.29 3.84 -1.15 -4.41 114.94 124.07 1sa1 s ASN 54 Ca -0.00 2.43 0.01 0.00 0.21 0.00 0.00 52.86 55.51 1sa1 s ASN 54 Cb -0.16 -2.63 0.04 0.00 -0.55 0.00 0.00 41.25 37.95 1sa1 s ASN 54 CO -0.08 -0.44 -0.11 -1.83 -2.79 0.00 0.00 177.10 171.85 1sa1 s GLU 55 N -1.84 2.09 0.00 0.43 4.04 -1.26 -4.10 118.70 118.07 1sa1 s GLU 55 Ca 0.50 -0.83 0.00 0.00 0.04 0.00 0.00 54.97 54.68 1sa1 s GLU 55 Cb -0.34 -2.40 0.00 0.00 0.02 0.00 0.00 34.13 31.41 1sa1 s GLU 55 CO 0.44 -0.40 0.00 0.00 -1.84 0.00 0.00 175.26 173.46 1sa1 n ALA 56 N 4.68 0.00 -1.41 -0.84 0.00 -1.26 -5.03 120.51 116.65 1sa1 n ALA 56 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1sa1 n ALA 56 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.93 1sa1 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sa1 n ALA 57 N -3.00 -1.86 -0.85 0.00 0.00 -1.26 -4.60 120.51 108.94 1sa1 n ALA 57 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1sa1 n ALA 57 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1sa1 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sa1 n GLY 58 N 1.95 3.08 0.00 0.00 0.00 -1.26 -4.09 105.19 104.88 1sa1 n GLY 58 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1sa1 n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sa1 n ASN 59 N 5.02 0.00 0.00 1.61 2.85 -1.26 -5.05 115.26 118.44 1sa1 n ASN 59 Ca 0.00 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1sa1 n ASN 59 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1sa1 n ASN 59 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1sa1 n LYS 60 N -0.25 0.00 0.00 1.20 5.02 -1.26 -4.79 118.16 118.09 1sa1 n LYS 60 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1sa1 n LYS 60 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1sa1 n LYS 60 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1sa1 n TYR 61 N 0.00 0.00 -0.56 2.13 0.53 -1.25 -4.42 117.16 113.59 1sa1 n TYR 61 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1sa1 n TYR 61 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 1sa1 n TYR 61 CO 0.00 0.00 0.00 1.55 -1.02 0.00 0.00 176.86 177.39 1sa1 n VAL 62 N -1.18 0.00 -2.39 -0.72 3.14 -1.26 -4.18 118.33 111.75 1sa1 n VAL 62 Ca 0.00 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.00 1sa1 n VAL 62 Cb 0.10 -0.28 -0.03 0.00 -1.06 0.00 0.00 33.84 32.57 1sa1 n VAL 62 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1sa1 s PRO 63 N 0.00 4.24 -1.18 1.45 0.04 -1.26 -2.92 135.00 135.36 1sa1 s PRO 63 Ca 0.00 1.78 -0.22 0.00 0.04 0.00 0.00 61.00 62.60 1sa1 s PRO 63 Cb 0.00 -2.80 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 1sa1 s PRO 63 CO 0.00 -0.14 1.88 1.03 0.04 0.00 0.00 177.00 179.81 1sa1 s ARG 64 N -2.10 2.86 0.02 4.56 0.52 -0.91 -4.77 118.95 119.12 1sa1 s ARG 64 Ca 0.54 -1.28 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 1sa1 s ARG 64 Cb -0.30 -5.30 -0.01 0.00 0.52 0.00 0.00 34.95 29.86 1sa1 s ARG 64 CO 0.37 -3.51 -0.07 0.00 0.02 0.00 0.00 175.30 172.12 1sa1 s ALA 65 N 9.30 0.51 -0.07 2.13 0.00 -1.26 -2.34 121.76 130.02 1sa1 s ALA 65 Ca 0.65 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1sa1 s ALA 65 Cb -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1sa1 s ALA 65 CO 0.10 0.06 -0.17 -1.50 0.00 0.00 0.00 175.76 174.25 1sa1 s ILE 66 N -0.66 1.51 -0.16 0.00 2.07 0.02 -4.88 121.20 119.10 1sa1 s ILE 66 Ca -0.03 -0.71 -0.05 0.00 -1.41 0.00 0.00 60.65 58.45 1sa1 s ILE 66 Cb -0.05 -1.33 -0.03 0.00 0.13 0.00 0.00 42.46 41.17 1sa1 s ILE 66 CO 0.00 0.44 0.00 -0.76 -1.91 0.00 0.00 174.94 172.71 1sa1 s LEU 67 N 0.42 3.50 -0.03 8.50 1.43 -0.90 -1.16 118.68 130.44 1sa1 s LEU 67 Ca -0.14 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1sa1 s LEU 67 Cb -0.16 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.22 1sa1 s LEU 67 CO 0.05 0.18 -0.03 -0.69 0.23 0.00 0.00 176.35 176.10 1sa1 s VAL 68 N 0.29 0.35 0.19 -1.59 1.01 -1.03 -1.00 120.40 118.61 1sa1 s VAL 68 Ca -0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.70 1sa1 s VAL 68 Cb -0.13 -0.38 0.05 0.00 0.00 0.00 0.00 36.38 35.92 1sa1 s VAL 68 CO 0.02 0.16 0.60 -0.62 0.00 0.00 0.00 175.10 175.26 1sa1 s ASP 69 N 0.65 -0.44 -0.29 3.32 -1.08 -1.20 -1.94 116.67 115.70 1sa1 s ASP 69 Ca -0.07 -0.22 0.11 0.00 -0.52 0.00 0.00 52.55 51.85 1sa1 s ASP 69 Cb -0.11 0.61 0.62 0.00 -1.46 0.00 0.00 42.92 42.59 1sa1 s ASP 69 CO -0.01 -1.05 1.63 0.18 0.52 0.00 0.00 175.17 176.44 1sa1 n LEU 70 N -0.38 5.07 -3.64 -1.34 4.32 -1.26 -0.43 117.00 119.34 1sa1 n LEU 70 Ca -0.13 -3.36 -0.05 0.00 -0.02 0.00 0.00 56.01 52.45 1sa1 n LEU 70 Cb 0.63 -0.67 -0.07 0.00 -1.62 0.00 0.00 43.42 41.69 1sa1 n LEU 70 CO 0.14 0.92 0.55 -1.83 -1.22 0.00 0.00 177.39 175.95 1sa1 s GLU 71 N -3.05 0.54 0.00 3.23 -1.05 -1.26 -4.13 118.70 112.98 1sa1 s GLU 71 Ca 0.49 0.88 0.00 0.00 -0.15 0.00 0.00 54.97 56.19 1sa1 s GLU 71 Cb 0.41 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1sa1 s GLU 71 CO 0.08 -0.10 0.00 -2.30 0.95 0.00 0.00 175.26 173.89 1sa1 n PRO 72 N 3.70 0.00 0.00 -4.83 -0.02 -1.26 -4.25 135.00 128.34 1sa1 n PRO 72 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1sa1 n PRO 72 Cb 0.58 -0.07 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1sa1 n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sa1 n GLY 73 N 0.00 0.07 0.27 -1.23 0.00 -1.26 -2.87 105.19 100.17 1sa1 n GLY 73 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1sa1 n GLY 73 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sa1 h THR 74 N 0.00 0.37 -0.02 2.61 1.35 -1.99 -1.51 112.91 113.72 1sa1 h THR 74 Ca 0.00 -0.52 -0.04 0.00 -0.55 0.00 0.00 66.41 65.31 1sa1 h THR 74 Cb 0.00 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1sa1 h THR 74 CO 0.00 0.09 -0.12 0.24 -0.25 0.00 0.00 175.52 175.47 1sa1 h MET 75 N 0.00 0.13 0.00 4.72 2.86 -1.81 -3.21 114.93 117.61 1sa1 h MET 75 Ca -0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1sa1 h MET 75 Cb 0.37 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1sa1 h MET 75 CO 0.01 0.77 0.00 -0.25 1.06 0.00 0.00 176.91 178.50 1sa1 n ASP 76 N -4.63 0.00 0.05 1.22 8.00 -0.60 0.19 116.55 120.78 1sa1 n ASP 76 Ca -0.09 -0.11 0.07 0.00 0.71 0.00 0.00 54.79 55.37 1sa1 n ASP 76 Cb 0.40 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 1sa1 n ASP 76 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sa1 n SER 77 N -1.06 0.64 -0.07 -2.24 7.64 -1.02 -2.55 113.62 114.97 1sa1 n SER 77 Ca 0.04 0.26 -0.22 0.00 1.01 0.00 0.00 58.87 59.96 1sa1 n SER 77 Cb 0.03 0.70 -0.12 0.00 -1.01 0.00 0.00 64.21 63.80 1sa1 n SER 77 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1sa1 n VAL 78 N -2.66 1.62 0.04 0.44 0.31 0.51 -4.35 118.33 114.25 1sa1 n VAL 78 Ca -0.05 -0.25 -0.11 0.00 -0.01 0.00 0.00 64.34 63.91 1sa1 n VAL 78 Cb 0.66 -1.93 -0.04 0.00 -0.91 0.00 0.00 33.84 31.62 1sa1 n VAL 78 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1sa1 h ARG 79 N -0.63 -0.39 -5.58 5.55 2.43 -0.61 -3.22 114.38 111.94 1sa1 h ARG 79 Ca -0.38 0.03 -0.62 0.00 -0.81 0.00 0.00 59.98 58.20 1sa1 h ARG 79 Cb 1.57 0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 31.09 1sa1 h ARG 79 CO -0.11 -0.26 0.22 -1.12 -1.51 0.00 0.00 179.97 177.19 1sa1 s SER 80 N -4.90 6.54 0.00 -3.80 0.01 -1.06 -4.43 113.70 106.07 1sa1 s SER 80 Ca -0.15 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1sa1 s SER 80 Cb 0.10 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1sa1 s SER 80 CO 0.66 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1sa1 n GLY 81 N 4.39 0.36 0.00 3.44 0.00 -1.21 -4.26 105.19 107.90 1sa1 n GLY 81 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1sa1 n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sa1 n PRO 82 N 0.00 0.00 -2.83 1.61 -0.04 -1.26 -4.08 135.00 128.40 1sa1 n PRO 82 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1sa1 n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1sa1 n PRO 82 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sa1 n PHE 83 N 0.00 3.64 -0.03 0.54 0.99 -1.26 -4.80 117.46 116.54 1sa1 n PHE 83 Ca 0.00 -3.06 -0.16 0.00 -0.00 0.00 0.00 57.45 54.23 1sa1 n PHE 83 Cb 0.00 -1.77 -0.13 0.00 -1.00 0.00 0.00 39.48 36.58 1sa1 n PHE 83 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1sa1 h GLY 84 N 7.41 0.14 0.44 1.37 0.00 -1.71 -3.29 103.07 107.43 1sa1 h GLY 84 Ca 0.29 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1sa1 h GLY 84 CO 1.35 0.28 0.00 -1.06 0.00 0.00 0.00 176.54 177.11 1sa1 n GLN 85 N -4.47 0.57 -0.04 4.80 1.13 -1.26 -3.84 117.38 114.27 1sa1 n GLN 85 Ca -0.11 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.86 1sa1 n GLN 85 Cb 0.56 -1.22 -0.08 0.00 0.11 0.00 0.00 30.24 29.61 1sa1 n GLN 85 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1sa1 h ILE 86 N 0.00 1.14 -3.98 5.09 2.04 -1.51 -3.42 117.51 116.87 1sa1 h ILE 86 Ca 0.00 -1.74 -0.50 0.00 1.00 0.00 0.00 64.86 63.62 1sa1 h ILE 86 Cb 0.00 2.11 0.05 0.00 -0.74 0.00 0.00 36.82 38.24 1sa1 h ILE 86 CO 0.00 0.37 0.47 -0.36 0.00 0.00 0.00 178.15 178.63 1sa1 s PHE 87 N -2.31 2.99 0.14 1.37 2.99 -1.25 -4.58 117.98 117.33 1sa1 s PHE 87 Ca -0.13 1.56 -0.30 0.00 0.00 0.00 0.00 56.93 58.06 1sa1 s PHE 87 Cb -0.01 -3.32 -0.07 0.00 0.00 0.00 0.00 43.02 39.62 1sa1 s PHE 87 CO 0.47 -1.28 1.04 0.50 -0.00 0.00 0.00 175.22 175.95 1sa1 s ARG 88 N -2.60 4.63 0.19 0.44 3.52 -1.26 -4.95 118.95 118.92 1sa1 s ARG 88 Ca 0.61 1.59 -0.12 0.00 -0.13 0.00 0.00 55.73 57.68 1sa1 s ARG 88 Cb -0.27 -3.33 0.14 0.00 -1.56 0.00 0.00 34.95 29.93 1sa1 s ARG 88 CO 0.34 0.12 1.82 -1.35 -0.81 0.00 0.00 175.30 175.41 1sa1 h PRO 89 N 5.45 0.65 -0.07 5.12 0.11 -1.98 0.11 132.00 141.40 1sa1 h PRO 89 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sa1 h PRO 89 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sa1 h PRO 89 CO 0.73 0.43 0.00 -0.40 -0.21 0.00 0.00 178.00 178.54 1sa1 n ASP 90 N -4.78 0.07 0.04 -2.05 5.68 -1.26 -1.93 116.55 112.32 1sa1 n ASP 90 Ca 0.05 -1.47 0.11 0.00 -0.50 0.00 0.00 54.79 52.99 1sa1 n ASP 90 Cb 0.10 -0.03 0.05 0.00 -1.14 0.00 0.00 41.12 40.09 1sa1 n ASP 90 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1sa1 n ASN 91 N -0.44 0.63 -4.75 -1.12 4.13 0.39 -4.90 115.26 109.20 1sa1 n ASN 91 Ca 0.00 -0.11 -0.40 0.00 1.68 0.00 0.00 54.58 55.75 1sa1 n ASN 91 Cb 0.02 0.68 -0.05 0.00 -1.54 0.00 0.00 39.78 38.88 1sa1 n ASN 91 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1sa1 s PHE 92 N -3.21 3.88 -0.55 3.10 0.40 -0.81 -2.12 117.98 118.66 1sa1 s PHE 92 Ca 0.04 1.85 0.05 0.00 -0.60 0.00 0.00 56.93 58.27 1sa1 s PHE 92 Cb 0.14 -3.06 0.20 0.00 0.51 0.00 0.00 43.02 40.81 1sa1 s PHE 92 CO 0.79 0.20 0.51 0.28 0.70 0.00 0.00 175.22 177.69 1sa1 n VAL 93 N 1.65 0.55 -2.07 -0.44 0.31 -0.17 -4.95 118.33 113.21 1sa1 n VAL 93 Ca -0.01 -4.38 -0.38 0.00 -0.01 0.00 0.00 64.34 59.56 1sa1 n VAL 93 Cb 0.47 -1.98 0.01 0.00 -0.91 0.00 0.00 33.84 31.43 1sa1 n VAL 93 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1sa1 s PHE 94 N -1.21 2.71 -0.13 3.52 -0.12 -1.26 -3.20 117.98 118.28 1sa1 s PHE 94 Ca 0.32 1.45 0.18 0.00 -0.05 0.00 0.00 56.93 58.83 1sa1 s PHE 94 Cb 0.06 -3.59 -0.13 0.00 -0.63 0.00 0.00 43.02 38.74 1sa1 s PHE 94 CO -0.13 -2.06 0.82 0.41 -0.05 0.00 0.00 175.22 174.21 1sa1 n GLY 95 N 0.60 -1.22 6.23 1.99 0.00 0.42 -4.92 105.19 108.29 1sa1 n GLY 95 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1sa1 n GLY 95 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sa1 n GLN 96 N -2.84 0.00 -0.36 1.61 -0.06 -1.26 -4.76 117.38 109.71 1sa1 n GLN 96 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.91 1sa1 n GLN 96 Cb 0.81 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.99 1sa1 n GLN 96 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1sa1 n SER 97 N 6.01 0.00 -4.76 1.69 3.41 -1.26 -4.22 113.62 114.49 1sa1 n SER 97 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1sa1 n SER 97 Cb 0.00 -1.07 0.03 0.00 -0.26 0.00 0.00 64.21 62.91 1sa1 n SER 97 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1sa1 s GLY 98 N -2.44 2.87 0.00 5.00 0.00 -1.26 -4.70 107.32 106.78 1sa1 s GLY 98 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 44.72 45.99 1sa1 s GLY 98 CO 0.00 1.79 0.49 0.00 0.00 0.00 0.00 173.10 175.38 1sa1 n ALA 99 N -0.77 0.00 0.00 3.20 0.00 -1.26 -4.75 120.51 116.94 1sa1 n ALA 99 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1sa1 n ALA 99 Cb 0.45 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1sa1 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sa1 n GLY 100 N -0.74 0.38 2.26 0.00 0.00 -1.26 -4.59 105.19 101.23 1sa1 n GLY 100 Ca 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 46.02 44.80 1sa1 n GLY 100 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sa1 n ASN 101 N 0.00 -3.95 -3.56 1.61 3.02 -1.26 -4.85 115.26 106.27 1sa1 n ASN 101 Ca 0.00 0.13 -0.23 0.00 -0.03 0.00 0.00 54.58 54.45 1sa1 n ASN 101 Cb 0.00 -1.93 -0.15 0.00 -0.61 0.00 0.00 39.78 37.09 1sa1 n ASN 101 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1sa1 s ASN 102 N -2.67 2.10 0.00 6.41 2.20 -1.26 -4.36 114.94 117.36 1sa1 s ASN 102 Ca 0.00 -0.54 0.00 0.00 -0.94 0.00 0.00 52.86 51.38 1sa1 s ASN 102 Cb 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 41.25 39.23 1sa1 s ASN 102 CO 0.00 -0.35 0.00 1.87 -2.94 0.00 0.00 177.10 175.68 1sa1 n TRP 103 N 5.29 0.00 -0.38 1.54 -0.00 -1.26 0.35 117.44 122.99 1sa1 n TRP 103 Ca -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.39 1sa1 n TRP 103 Cb 0.49 -0.42 -0.01 0.00 -0.00 0.00 0.00 31.31 31.37 1sa1 n TRP 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1sa1 n ALA 104 N -3.35 -0.30 -0.10 5.87 0.00 -1.26 -0.10 120.51 121.27 1sa1 n ALA 104 Ca 0.00 0.89 -0.13 0.00 0.00 0.00 0.00 53.44 54.20 1sa1 n ALA 104 Cb 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 1sa1 n ALA 104 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1sa1 h LYS 105 N 0.00 -0.40 0.00 0.00 3.64 0.57 0.12 116.57 120.50 1sa1 h LYS 105 Ca 0.26 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1sa1 h LYS 105 Cb 0.50 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1sa1 h LYS 105 CO -0.92 -0.27 0.00 0.41 -2.27 0.00 0.00 179.45 176.40 1sa1 n GLY 106 N -1.36 -1.15 0.01 5.01 0.00 0.39 -1.76 105.19 106.33 1sa1 n GLY 106 Ca -0.04 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.90 1sa1 n GLY 106 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1sa1 n HIS 107 N -1.28 0.00 0.00 1.61 -0.00 0.86 0.22 115.22 116.62 1sa1 n HIS 107 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 1sa1 n HIS 107 Cb 0.21 -0.24 0.00 0.00 -0.00 0.00 0.00 29.99 29.96 1sa1 n HIS 107 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1sa1 n TYR 108 N -1.87 0.00 0.00 1.57 4.02 0.40 -4.50 117.16 116.77 1sa1 n TYR 108 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1sa1 n TYR 108 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 1sa1 n TYR 108 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1sa1 n THR 109 N -2.29 0.00 0.06 -0.72 -1.04 -0.99 -2.50 114.28 106.79 1sa1 n THR 109 Ca 0.00 0.14 0.04 0.00 -2.04 0.00 0.00 64.05 62.19 1sa1 n THR 109 Cb 0.00 -0.57 0.19 0.00 -1.82 0.00 0.00 70.33 68.13 1sa1 n THR 109 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1sa1 n GLU 110 N 0.00 0.05 0.01 -2.82 -0.58 -1.04 -2.88 120.64 113.37 1sa1 n GLU 110 Ca 0.00 0.54 -0.00 0.00 -0.42 0.00 0.00 57.16 57.28 1sa1 n GLU 110 Cb 0.00 -1.65 -0.00 0.00 -0.57 0.00 0.00 31.44 29.22 1sa1 n GLU 110 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1sa1 h GLY 111 N 0.01 -0.02 1.01 0.62 0.00 -1.47 -3.31 103.07 99.91 1sa1 h GLY 111 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 47.33 47.48 1sa1 h GLY 111 CO 0.00 -0.01 0.36 0.00 0.00 0.00 0.00 176.54 176.89 1sa1 h ALA 112 N -1.98 2.43 -0.97 3.60 0.00 -1.36 -0.97 119.26 120.02 1sa1 h ALA 112 Ca -0.00 -0.02 0.40 0.00 0.00 0.00 0.00 54.91 55.29 1sa1 h ALA 112 Cb 0.02 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 17.67 1sa1 h ALA 112 CO 0.00 -0.61 0.51 -1.91 0.00 0.00 0.00 179.25 177.24 1sa1 n GLU 113 N -4.33 -0.06 -0.07 0.00 4.07 -1.14 -3.45 120.64 115.66 1sa1 n GLU 113 Ca 0.09 1.34 -0.13 0.00 -0.06 0.00 0.00 57.16 58.40 1sa1 n GLU 113 Cb 0.57 -2.40 -0.04 0.00 -0.06 0.00 0.00 31.44 29.51 1sa1 n GLU 113 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1sa1 n LEU 114 N -5.20 1.60 0.00 4.31 7.94 -0.40 -4.83 117.00 120.42 1sa1 n LEU 114 Ca 0.36 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.53 1sa1 n LEU 114 Cb 1.23 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 44.57 1sa1 n LEU 114 CO 0.01 -0.07 0.00 0.52 -1.11 0.00 0.00 177.39 176.74 1sa1 n VAL 115 N -4.08 0.00 -0.39 1.96 0.31 -0.98 0.11 118.33 115.26 1sa1 n VAL 115 Ca -0.22 0.00 0.33 0.00 -0.01 0.00 0.00 64.34 64.44 1sa1 n VAL 115 Cb 0.54 0.00 0.60 0.00 -0.91 0.00 0.00 33.84 34.08 1sa1 n VAL 115 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1sa1 h ASP 116 N 0.00 0.31 -0.26 4.52 3.32 -1.88 0.61 116.42 123.05 1sa1 h ASP 116 Ca 0.00 0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1sa1 h ASP 116 Cb 0.00 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1sa1 h ASP 116 CO 0.00 -0.26 -0.03 0.28 -1.72 0.00 0.00 179.24 177.51 1sa1 h SER 117 N 0.10 0.47 0.43 6.45 0.02 0.49 -0.69 113.55 120.82 1sa1 h SER 117 Ca 0.82 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 61.41 1sa1 h SER 117 Cb 2.33 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.75 1sa1 h SER 117 CO -0.57 0.70 -0.21 0.58 -1.14 0.00 0.00 176.83 176.20 1sa1 h VAL 118 N 0.23 0.00 -1.66 2.27 2.07 -0.78 -3.09 116.25 115.29 1sa1 h VAL 118 Ca 0.07 -0.46 0.51 0.00 0.82 0.00 0.00 66.70 67.64 1sa1 h VAL 118 Cb 0.48 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.14 1sa1 h VAL 118 CO 0.02 0.00 1.15 0.25 0.02 0.00 0.00 177.57 179.01 1sa1 h LEU 119 N -1.03 0.10 0.09 2.57 5.85 0.10 0.97 115.31 123.96 1sa1 h LEU 119 Ca -0.06 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.57 1sa1 h LEU 119 Cb 0.44 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.55 1sa1 h LEU 119 CO 0.10 -0.11 -0.75 -0.78 -0.34 0.00 0.00 178.44 176.55 1sa1 h ASP 120 N 0.01 0.30 -0.20 1.25 1.82 -1.21 -2.57 116.42 115.83 1sa1 h ASP 120 Ca 0.89 -0.92 -0.03 0.00 -0.39 0.00 0.00 57.03 56.59 1sa1 h ASP 120 Cb 3.25 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 43.14 1sa1 h ASP 120 CO -0.22 1.34 0.05 0.58 -1.61 0.00 0.00 179.24 179.38 1sa1 h VAL 121 N -0.56 1.15 -0.85 2.25 2.07 0.98 0.25 116.25 121.54 1sa1 h VAL 121 Ca -0.15 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1sa1 h VAL 121 Cb 1.48 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 1sa1 h VAL 121 CO 0.07 0.19 0.47 -0.37 0.02 0.00 0.00 177.57 177.95 1sa1 h VAL 122 N 0.41 1.24 0.16 2.57 -1.51 -1.04 -2.69 116.25 115.39 1sa1 h VAL 122 Ca 0.10 -0.59 -0.01 0.00 -1.23 0.00 0.00 66.70 64.97 1sa1 h VAL 122 Cb 0.19 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 29.44 1sa1 h VAL 122 CO -0.00 0.27 -0.08 -0.09 -1.23 0.00 0.00 177.57 176.44 1sa1 h ARG 123 N 1.18 -0.21 0.00 5.19 2.43 -0.12 -1.76 114.38 121.09 1sa1 h ARG 123 Ca 0.30 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1sa1 h ARG 123 Cb 0.01 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1sa1 h ARG 123 CO -0.05 -0.09 0.00 1.63 -1.51 0.00 0.00 179.97 179.95 1sa1 n LYS 124 N -5.15 0.12 -0.09 0.20 5.02 -0.48 0.17 118.16 117.95 1sa1 n LYS 124 Ca -0.09 0.53 -0.07 0.00 -2.02 0.00 0.00 58.31 56.66 1sa1 n LYS 124 Cb 0.13 -1.82 -0.16 0.00 -0.02 0.00 0.00 35.03 33.16 1sa1 n LYS 124 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1sa1 n GLU 125 N -2.06 0.77 0.01 1.97 -0.58 -1.05 -3.46 120.64 116.23 1sa1 n GLU 125 Ca 0.00 -0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.59 1sa1 n GLU 125 Cb 0.09 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.32 1sa1 n GLU 125 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1sa1 h SER 126 N 0.00 0.13 1.26 1.62 0.02 -0.67 -2.77 113.55 113.14 1sa1 h SER 126 Ca -0.47 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.25 1sa1 h SER 126 Cb 2.05 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 64.55 1sa1 h SER 126 CO 0.03 1.20 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.77 1sa1 h GLU 127 N 0.02 0.00 0.01 3.45 4.81 -0.47 -3.27 114.58 119.13 1sa1 h GLU 127 Ca -0.26 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 1sa1 h GLU 127 Cb 1.98 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.37 1sa1 h GLU 127 CO 0.10 0.06 -0.28 1.03 -0.73 0.00 0.00 179.01 179.20 1sa1 h SER 128 N 0.00 0.22 -3.27 1.04 0.87 -1.58 -3.46 113.55 107.37 1sa1 h SER 128 Ca -0.00 -0.83 -0.58 0.00 -1.23 0.00 0.00 61.79 59.16 1sa1 h SER 128 Cb 0.71 -0.07 0.15 0.00 -0.44 0.00 0.00 62.40 62.75 1sa1 h SER 128 CO 0.01 1.02 0.12 0.00 -0.53 0.00 0.00 176.83 177.45 1sa1 h ASP 130 N 1.10 -0.43 -3.17 0.00 3.58 -1.90 -3.41 116.42 112.19 1sa1 h ASP 130 Ca -0.46 0.01 -0.55 0.00 0.42 0.00 0.00 57.03 56.45 1sa1 h ASP 130 Cb 1.35 0.11 -0.36 0.00 1.72 0.00 0.00 39.33 42.15 1sa1 h ASP 130 CO 0.54 -0.19 -0.81 0.00 -2.88 0.00 0.00 179.24 175.90 1sa1 s LEU 132 N 1.59 4.01 -0.11 0.00 2.96 -1.26 -2.68 118.68 123.18 1sa1 s LEU 132 Ca 0.04 2.50 -0.09 0.00 -0.22 0.00 0.00 54.13 56.36 1sa1 s LEU 132 Cb -0.13 -4.19 -0.03 0.00 0.50 0.00 0.00 46.19 42.35 1sa1 s LEU 132 CO -0.09 -1.09 -0.17 1.67 -1.32 0.00 0.00 176.35 175.36 1sa1 n GLN 133 N -0.52 0.36 -1.10 1.98 7.27 0.70 -4.49 117.38 121.57 1sa1 n GLN 133 Ca 0.07 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.51 1sa1 n GLN 133 Cb 0.46 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.73 1sa1 n GLN 133 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sa1 n GLY 134 N 1.60 -0.62 3.00 1.69 0.00 -1.26 -3.23 105.19 106.36 1sa1 n GLY 134 Ca -0.07 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 1sa1 n GLY 134 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sa1 s PHE 135 N -3.68 0.60 -0.20 1.61 0.40 -0.18 -2.71 117.98 113.81 1sa1 s PHE 135 Ca 0.00 -0.19 -0.04 0.00 -0.60 0.00 0.00 56.93 56.10 1sa1 s PHE 135 Cb 0.00 -0.38 -0.02 0.00 0.51 0.00 0.00 43.02 43.14 1sa1 s PHE 135 CO 0.00 -0.02 -0.03 1.14 0.70 0.00 0.00 175.22 177.01 1sa1 s GLN 136 N -0.45 3.49 -0.08 0.44 -2.07 -1.07 -0.40 119.66 119.54 1sa1 s GLN 136 Ca 0.00 -0.58 0.02 0.00 -1.82 0.00 0.00 55.36 52.98 1sa1 s GLN 136 Cb -0.04 -3.01 -0.02 0.00 -1.09 0.00 0.00 33.01 28.85 1sa1 s GLN 136 CO -0.00 -0.06 -0.12 -1.17 -1.32 0.00 0.00 175.29 172.62 1sa1 s LEU 137 N 1.14 2.87 -0.12 2.60 2.96 -0.57 -1.02 118.68 126.53 1sa1 s LEU 137 Ca 0.02 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1sa1 s LEU 137 Cb -0.15 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 44.93 1sa1 s LEU 137 CO 0.00 0.31 -0.21 0.42 -1.32 0.00 0.00 176.35 175.55 1sa1 s THR 138 N -0.48 2.30 0.15 3.68 -4.23 0.28 -1.43 115.64 115.90 1sa1 s THR 138 Ca 0.06 -0.92 -0.25 0.00 -1.18 0.00 0.00 61.69 59.40 1sa1 s THR 138 Cb -0.12 -1.91 0.06 0.00 1.34 0.00 0.00 72.50 71.87 1sa1 s THR 138 CO 0.02 0.55 0.83 -1.38 -0.54 0.00 0.00 174.62 174.10 1sa1 s HIS 139 N 0.47 -0.26 -0.30 3.99 -0.00 -1.04 -1.67 115.29 116.48 1sa1 s HIS 139 Ca -0.14 -0.03 -0.10 0.00 -0.00 0.00 0.00 55.06 54.79 1sa1 s HIS 139 Cb -0.17 0.62 -0.02 0.00 -0.00 0.00 0.00 32.58 33.01 1sa1 s HIS 139 CO 0.06 -0.86 0.17 -1.54 -0.00 0.00 0.00 174.74 172.57 1sa1 s SER 140 N -2.80 5.67 0.21 7.38 1.04 -1.26 -2.82 113.70 121.12 1sa1 s SER 140 Ca 0.08 -0.39 0.22 0.00 0.48 0.00 0.00 55.95 56.34 1sa1 s SER 140 Cb -0.02 -2.04 0.91 0.00 0.10 0.00 0.00 66.02 64.97 1sa1 s SER 140 CO -0.02 -0.16 1.67 -0.11 0.98 0.00 0.00 173.24 175.60 1sa1 n LEU 141 N 5.01 0.54 -4.46 2.42 7.94 -1.00 -2.49 117.00 124.97 1sa1 n LEU 141 Ca -0.14 0.63 -0.30 0.00 -1.11 0.00 0.00 56.01 55.09 1sa1 n LEU 141 Cb 0.50 -0.55 -0.12 0.00 0.53 0.00 0.00 43.42 43.78 1sa1 n LEU 141 CO 0.34 -0.48 -0.50 -0.83 -1.11 0.00 0.00 177.39 174.81 1sa1 s GLY 142 N -3.44 1.60 0.24 -3.96 0.00 -1.26 -1.62 107.32 98.89 1sa1 s GLY 142 Ca 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1sa1 s GLY 142 CO 0.38 -1.19 0.00 0.61 0.00 0.00 0.00 173.10 172.90 1sa1 n GLY 143 N 1.29 -3.65 0.00 0.20 0.00 -1.26 -4.82 105.19 96.94 1sa1 n GLY 143 Ca -0.16 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1sa1 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sa1 n GLY 144 N -1.18 -1.07 3.34 -0.02 0.00 -1.26 -3.60 105.19 101.42 1sa1 n GLY 144 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1sa1 n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sa1 n THR 145 N -0.09 0.00 0.00 2.61 -2.24 -1.26 0.87 114.28 114.16 1sa1 n THR 145 Ca 0.00 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1sa1 n THR 145 Cb 0.00 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 1sa1 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sa1 n GLY 146 N 5.51 2.00 0.14 3.38 0.00 -1.26 -3.47 105.19 111.48 1sa1 n GLY 146 Ca 0.30 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 1sa1 n GLY 146 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1sa1 h SER 147 N 0.00 0.61 0.03 1.61 0.87 0.79 -3.29 113.55 114.17 1sa1 h SER 147 Ca 0.00 -0.93 -0.38 0.00 -1.23 0.00 0.00 61.79 59.24 1sa1 h SER 147 Cb 0.00 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 61.71 1sa1 h SER 147 CO 0.00 1.77 -2.20 0.61 -0.53 0.00 0.00 176.83 176.48 1sa1 n GLY 148 N 1.85 -0.51 0.39 5.77 0.00 0.14 -3.49 105.19 109.35 1sa1 n GLY 148 Ca -0.25 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1sa1 n GLY 148 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1sa1 h MET 149 N -0.45 -0.96 -0.96 1.61 1.85 -0.33 -2.30 114.93 113.39 1sa1 h MET 149 Ca -0.55 0.07 0.17 0.00 -0.61 0.00 0.00 59.70 58.78 1sa1 h MET 149 Cb 1.75 0.22 -0.10 0.00 0.43 0.00 0.00 31.60 33.89 1sa1 h MET 149 CO -0.17 -0.64 0.57 0.78 -0.40 0.00 0.00 176.91 177.04 1sa1 h GLY 150 N -1.04 1.67 1.82 1.39 0.00 -1.79 0.85 103.07 105.96 1sa1 h GLY 150 Ca -0.10 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1sa1 h GLY 150 CO 0.17 -0.03 -0.24 -0.91 0.00 0.00 0.00 176.54 175.52 1sa1 h THR 151 N 0.75 1.23 -0.01 4.70 1.35 -1.59 -1.52 112.91 117.82 1sa1 h THR 151 Ca 0.54 -1.06 -0.02 0.00 -0.55 0.00 0.00 66.41 65.33 1sa1 h THR 151 Cb 0.79 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1sa1 h THR 151 CO -0.37 0.32 -0.06 0.25 -0.25 0.00 0.00 175.52 175.41 1sa1 h LEU 152 N 0.19 0.07 -0.77 3.87 5.85 -0.09 -2.89 115.31 121.54 1sa1 h LEU 152 Ca 0.03 -0.69 0.11 0.00 0.84 0.00 0.00 57.88 58.17 1sa1 h LEU 152 Cb 0.54 -0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.42 1sa1 h LEU 152 CO 0.04 0.75 -0.45 -0.07 -0.34 0.00 0.00 178.44 178.37 1sa1 h LEU 153 N -0.61 -1.60 0.38 2.25 3.38 0.96 -0.12 115.31 119.96 1sa1 h LEU 153 Ca -0.01 0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1sa1 h LEU 153 Cb 0.76 0.75 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 1sa1 h LEU 153 CO 0.01 -0.30 -0.21 0.16 0.09 0.00 0.00 178.44 178.19 1sa1 h ILE 154 N -0.12 0.56 0.00 1.22 3.07 -1.39 0.52 117.51 121.37 1sa1 h ILE 154 Ca 0.22 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.63 1sa1 h ILE 154 Cb 0.54 0.56 0.00 0.00 -0.27 0.00 0.00 36.82 37.66 1sa1 h ILE 154 CO -0.82 0.00 0.00 -1.20 -1.05 0.00 0.00 178.15 175.08 1sa1 n SER 155 N -5.34 0.00 0.00 2.16 7.64 -0.16 0.78 113.62 118.70 1sa1 n SER 155 Ca -0.11 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1sa1 n SER 155 Cb 0.25 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1sa1 n SER 155 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sa1 n LYS 156 N -0.05 2.05 0.00 1.43 4.76 0.03 -4.86 118.16 121.52 1sa1 n LYS 156 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1sa1 n LYS 156 Cb 0.00 -0.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 1sa1 n LYS 156 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1sa1 n ILE 157 N -0.96 0.00 -1.62 -0.18 2.08 0.23 -3.33 119.36 115.58 1sa1 n ILE 157 Ca 0.00 0.76 -0.65 0.00 0.56 0.00 0.00 62.75 63.42 1sa1 n ILE 157 Cb 0.15 -1.56 -0.10 0.00 -0.75 0.00 0.00 39.64 37.38 1sa1 n ILE 157 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1sa1 n ARG 158 N -0.44 0.00 0.00 0.38 1.74 -0.26 0.22 116.66 118.29 1sa1 n ARG 158 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1sa1 n ARG 158 Cb 0.00 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1sa1 n ARG 158 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1sa1 n GLU 159 N 4.52 0.00 -0.01 5.56 2.13 -1.26 -4.59 120.64 126.99 1sa1 n GLU 159 Ca 0.34 0.00 0.10 0.00 0.66 0.00 0.00 57.16 58.27 1sa1 n GLU 159 Cb -0.05 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.51 1sa1 n GLU 159 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1sa1 n GLU 160 N 0.00 0.56 -3.23 5.31 2.13 0.58 -4.69 120.64 121.31 1sa1 n GLU 160 Ca 0.00 -0.13 -0.24 0.00 0.66 0.00 0.00 57.16 57.45 1sa1 n GLU 160 Cb 0.00 -1.47 -0.07 0.00 0.27 0.00 0.00 31.44 30.16 1sa1 n GLU 160 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1sa1 n TYR 161 N -1.99 -0.93 0.09 4.31 4.02 -0.26 -4.93 117.16 117.47 1sa1 n TYR 161 Ca -0.02 -3.26 0.01 0.00 -0.01 0.00 0.00 57.90 54.62 1sa1 n TYR 161 Cb 0.47 0.09 -0.03 0.00 -0.02 0.00 0.00 39.34 39.85 1sa1 n TYR 161 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1sa1 h PRO 162 N 4.72 0.00 0.24 -0.72 0.11 -1.84 -3.33 132.00 131.19 1sa1 h PRO 162 Ca 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1sa1 h PRO 162 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1sa1 h PRO 162 CO 0.40 0.47 -0.12 0.38 -0.21 0.00 0.00 178.00 178.92 1sa1 h ASP 163 N 0.00 -0.27 -4.22 -2.05 -0.00 -1.99 -3.46 116.42 104.43 1sa1 h ASP 163 Ca -0.06 -0.22 -0.50 0.00 -0.00 0.00 0.00 57.03 56.25 1sa1 h ASP 163 Cb 1.49 0.07 0.07 0.00 -0.00 0.00 0.00 39.33 40.97 1sa1 h ASP 163 CO 0.06 0.10 0.37 -0.13 -0.00 0.00 0.00 179.24 179.65 1sa1 s ARG 164 N -4.58 3.21 0.30 4.15 1.81 -1.25 -5.03 118.95 117.56 1sa1 s ARG 164 Ca -0.14 1.16 0.07 0.00 -1.72 0.00 0.00 55.73 55.10 1sa1 s ARG 164 Cb 0.02 -2.02 -0.03 0.00 -0.45 0.00 0.00 34.95 32.47 1sa1 s ARG 164 CO 0.56 -0.89 0.27 0.96 -0.68 0.00 0.00 175.30 175.51 1sa1 s ILE 165 N -2.57 4.03 -0.19 1.52 -4.36 -1.20 -4.94 121.20 113.49 1sa1 s ILE 165 Ca 0.63 -1.34 0.01 0.00 -0.26 0.00 0.00 60.65 59.68 1sa1 s ILE 165 Cb -0.16 -3.32 0.03 0.00 1.25 0.00 0.00 42.46 40.27 1sa1 s ILE 165 CO 0.41 -0.25 -0.13 -0.04 0.24 0.00 0.00 174.94 175.16 1sa1 s MET 166 N -3.94 2.31 0.10 0.37 -1.94 -1.26 -1.01 119.30 113.92 1sa1 s MET 166 Ca 0.37 -0.80 0.09 0.00 -1.71 0.00 0.00 55.69 53.64 1sa1 s MET 166 Cb -0.07 -2.40 -0.03 0.00 2.01 0.00 0.00 34.83 34.34 1sa1 s MET 166 CO 0.26 -0.34 -0.22 1.21 -0.01 0.00 0.00 175.02 175.92 1sa1 s ASN 167 N 1.38 2.70 -0.01 3.03 2.47 0.47 -1.87 114.94 123.10 1sa1 s ASN 167 Ca 0.01 -0.68 -0.22 0.00 0.42 0.00 0.00 52.86 52.39 1sa1 s ASN 167 Cb -0.15 -0.16 0.04 0.00 -1.45 0.00 0.00 41.25 39.53 1sa1 s ASN 167 CO -0.10 0.09 0.48 0.42 -3.72 0.00 0.00 177.10 174.28 1sa1 s THR 168 N -1.10 0.03 -0.33 -5.21 -4.23 -1.19 -1.52 115.64 102.09 1sa1 s THR 168 Ca 0.08 -0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 60.29 1sa1 s THR 168 Cb -0.10 -0.83 0.07 0.00 1.34 0.00 0.00 72.50 72.98 1sa1 s THR 168 CO 0.04 -0.15 0.06 -0.36 -0.54 0.00 0.00 174.62 173.67 1sa1 s PHE 169 N -1.52 3.36 -0.19 3.99 0.40 -0.51 -1.33 117.98 122.17 1sa1 s PHE 169 Ca -0.11 -2.02 -0.05 0.00 -0.60 0.00 0.00 56.93 54.15 1sa1 s PHE 169 Cb -0.02 -2.41 -0.03 0.00 0.51 0.00 0.00 43.02 41.06 1sa1 s PHE 169 CO 0.05 -0.84 0.00 -1.12 0.70 0.00 0.00 175.22 174.01 1sa1 s SER 170 N 1.38 4.96 -0.57 1.36 0.01 -1.00 -2.50 113.70 117.33 1sa1 s SER 170 Ca -0.01 -0.14 -0.18 0.00 1.31 0.00 0.00 55.95 56.93 1sa1 s SER 170 Cb -0.20 -1.84 0.11 0.00 0.21 0.00 0.00 66.02 64.30 1sa1 s SER 170 CO -0.02 0.10 0.63 0.68 0.41 0.00 0.00 173.24 175.04 1sa1 s VAL 171 N 0.79 4.97 -0.15 3.43 -7.23 -1.13 -1.86 120.40 119.23 1sa1 s VAL 171 Ca 0.01 -1.20 -0.29 0.00 -1.81 0.00 0.00 61.98 58.69 1sa1 s VAL 171 Cb -0.14 -4.43 -0.01 0.00 0.56 0.00 0.00 36.38 32.36 1sa1 s VAL 171 CO 0.02 -1.03 0.99 -0.69 -0.31 0.00 0.00 175.10 174.08 1sa1 s VAL 172 N 2.26 4.77 0.57 1.32 1.01 -0.54 -2.38 120.40 127.42 1sa1 s VAL 172 Ca 0.08 1.97 -0.05 0.00 0.00 0.00 0.00 61.98 63.99 1sa1 s VAL 172 Cb -0.26 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.84 1sa1 s VAL 172 CO 0.05 -0.04 0.86 -2.16 0.00 0.00 0.00 175.10 173.81 1sa1 s PRO 173 N 2.33 2.90 0.04 2.72 0.04 -1.26 -2.01 135.00 139.77 1sa1 s PRO 173 Ca 0.46 -0.13 0.01 0.00 0.04 0.00 0.00 61.00 61.37 1sa1 s PRO 173 Cb -0.17 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.05 1sa1 s PRO 173 CO 0.14 -0.65 0.04 -1.13 0.04 0.00 0.00 177.00 175.44 1sa1 n SER 174 N -2.50 0.81 -0.00 6.66 3.41 -1.26 -4.87 113.62 115.86 1sa1 n SER 174 Ca 0.04 -1.14 0.10 0.00 -0.26 0.00 0.00 58.87 57.61 1sa1 n SER 174 Cb 0.58 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 1sa1 n SER 174 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1sa1 n PRO 175 N -0.77 0.14 -4.20 4.33 -0.05 -1.26 -4.60 135.00 128.58 1sa1 n PRO 175 Ca 0.00 -0.04 -0.34 0.00 -0.05 0.00 0.00 63.50 63.07 1sa1 n PRO 175 Cb 0.05 -1.51 -0.13 0.00 -0.05 0.00 0.00 33.50 31.86 1sa1 n PRO 175 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 175.50 173.86 1sa1 s LYS 176 N -3.11 3.58 -1.50 0.54 -2.85 -1.26 -4.34 119.74 110.81 1sa1 s LYS 176 Ca 0.05 -0.55 -0.02 0.00 -1.00 0.00 0.00 55.97 54.45 1sa1 s LYS 176 Cb 0.16 -2.99 0.02 0.00 -2.06 0.00 0.00 37.83 32.95 1sa1 s LYS 176 CO 0.87 0.07 0.26 0.28 0.10 0.00 0.00 175.35 176.92 1sa1 n VAL 177 N 4.05 -1.95 -4.28 1.79 0.31 -1.26 -4.84 118.33 112.15 1sa1 n VAL 177 Ca -0.17 -0.46 -0.26 0.00 -0.01 0.00 0.00 64.34 63.44 1sa1 n VAL 177 Cb 0.52 -1.81 -0.08 0.00 -0.91 0.00 0.00 33.84 31.57 1sa1 n VAL 177 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1sa1 s SER 178 N -4.29 4.29 -0.09 4.52 1.04 -1.26 -4.78 113.70 113.13 1sa1 s SER 178 Ca 0.07 -1.21 0.02 0.00 0.48 0.00 0.00 55.95 55.31 1sa1 s SER 178 Cb -0.04 -0.30 -0.07 0.00 0.10 0.00 0.00 66.02 65.71 1sa1 s SER 178 CO 0.94 -0.60 -0.07 0.47 0.98 0.00 0.00 173.24 174.97 1sa1 n ASP 179 N -1.22 3.21 -4.22 7.02 8.00 -1.26 -5.03 116.55 123.05 1sa1 n ASP 179 Ca -0.04 -0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.21 1sa1 n ASP 179 Cb 0.65 -0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.63 1sa1 n ASP 179 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1sa1 s THR 180 N -2.20 1.37 -2.07 -3.53 2.01 -1.26 -5.03 115.64 104.94 1sa1 s THR 180 Ca -0.12 -1.38 0.15 0.00 0.31 0.00 0.00 61.69 60.66 1sa1 s THR 180 Cb 0.03 -1.28 0.40 0.00 0.01 0.00 0.00 72.50 71.67 1sa1 s THR 180 CO 0.24 -0.13 1.51 0.52 -0.69 0.00 0.00 174.62 176.07 1sa1 n VAL 181 N 1.26 0.10 0.37 3.82 0.31 -1.26 -3.51 118.33 119.43 1sa1 n VAL 181 Ca -0.20 -0.13 0.11 0.00 -0.01 0.00 0.00 64.34 64.11 1sa1 n VAL 181 Cb 0.54 -0.02 0.03 0.00 -0.91 0.00 0.00 33.84 33.48 1sa1 n VAL 181 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1sa1 n VAL 182 N -0.34 0.34 -0.25 2.52 0.24 -1.26 -4.77 118.33 114.81 1sa1 n VAL 182 Ca 0.12 -0.37 -0.07 0.00 -2.04 0.00 0.00 64.34 61.98 1sa1 n VAL 182 Cb 0.14 -0.06 -0.06 0.00 -1.47 0.00 0.00 33.84 32.39 1sa1 n VAL 182 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sa1 n GLU 183 N -2.25 -0.26 -0.19 7.34 4.71 -1.23 -0.24 120.64 128.52 1sa1 n GLU 183 Ca 0.01 0.91 -0.05 0.00 -0.01 0.00 0.00 57.16 58.03 1sa1 n GLU 183 Cb 0.48 -1.34 -0.04 0.00 -1.01 0.00 0.00 31.44 29.53 1sa1 n GLU 183 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1sa1 n PRO 184 N -4.76 -0.20 -0.21 3.49 -0.01 -1.26 -0.73 135.00 131.32 1sa1 n PRO 184 Ca 0.01 0.91 -0.06 0.00 -0.01 0.00 0.00 63.50 64.35 1sa1 n PRO 184 Cb 0.16 -1.34 -0.00 0.00 -0.01 0.00 0.00 33.50 32.31 1sa1 n PRO 184 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 175.50 177.37 1sa1 h TYR 185 N 0.00 -1.03 0.34 6.00 0.99 -0.97 0.31 116.97 122.61 1sa1 h TYR 185 Ca 0.07 0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.86 1sa1 h TYR 185 Cb 0.18 0.54 0.00 0.00 1.00 0.00 0.00 36.73 38.46 1sa1 h TYR 185 CO -0.68 -0.39 -0.16 -0.91 -0.00 0.00 0.00 178.16 176.01 1sa1 h ASN 186 N -0.17 -0.39 -0.00 3.88 2.35 -0.93 -2.37 115.58 117.94 1sa1 h ASN 186 Ca 0.22 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1sa1 h ASN 186 Cb 0.56 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 1sa1 h ASN 186 CO -0.70 -0.28 -0.31 0.00 -1.65 0.00 0.00 177.43 174.49 1sa1 h ALA 187 N 0.21 -0.76 0.00 -0.83 0.00 0.05 -1.45 119.26 116.48 1sa1 h ALA 187 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sa1 h ALA 187 Cb 0.35 0.77 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1sa1 h ALA 187 CO 0.08 -0.85 0.22 2.41 0.00 0.00 0.00 179.25 181.11 1sa1 n THR 188 N -4.21 0.82 -0.04 0.00 -1.04 1.00 0.15 114.28 110.95 1sa1 n THR 188 Ca -0.04 0.70 -0.18 0.00 -2.04 0.00 0.00 64.05 62.49 1sa1 n THR 188 Cb 0.23 -1.70 -0.14 0.00 -1.82 0.00 0.00 70.33 66.91 1sa1 n THR 188 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1sa1 n LEU 189 N -1.95 2.22 0.02 -4.42 4.77 -0.64 -3.33 117.00 113.67 1sa1 n LEU 189 Ca -0.01 0.14 -0.18 0.00 -0.03 0.00 0.00 56.01 55.93 1sa1 n LEU 189 Cb 0.24 -0.73 -0.12 0.00 -2.33 0.00 0.00 43.42 40.49 1sa1 n LEU 189 CO 0.05 0.77 0.18 0.28 -1.33 0.00 0.00 177.39 177.35 1sa1 h SER 190 N 0.04 0.54 -0.20 -1.43 0.02 0.21 -3.10 113.55 109.64 1sa1 h SER 190 Ca -0.45 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 59.69 1sa1 h SER 190 Cb 2.02 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 64.38 1sa1 h SER 190 CO 0.04 1.29 0.13 1.62 -1.14 0.00 0.00 176.83 178.77 1sa1 h VAL 191 N -0.14 1.05 0.78 2.27 3.04 0.12 1.68 116.25 125.05 1sa1 h VAL 191 Ca -0.10 -0.11 -0.04 0.00 -1.01 0.00 0.00 66.70 65.45 1sa1 h VAL 191 Cb 1.43 0.77 0.01 0.00 -2.01 0.00 0.00 31.29 31.49 1sa1 h VAL 191 CO 0.14 0.05 -0.37 -0.74 -1.01 0.00 0.00 177.57 175.63 1sa1 h HIS 192 N 0.27 -0.97 -0.27 3.17 6.17 -1.61 -2.05 115.15 119.86 1sa1 h HIS 192 Ca 0.07 -0.02 0.05 0.00 0.71 0.00 0.00 60.37 61.18 1sa1 h HIS 192 Cb -0.02 0.32 -0.08 0.00 2.52 0.00 0.00 27.41 30.15 1sa1 h HIS 192 CO 0.00 -0.59 -0.45 0.37 0.71 0.00 0.00 177.93 177.97 1sa1 h GLN 193 N -1.23 -0.41 -0.81 5.26 5.75 -0.91 -2.27 115.11 120.50 1sa1 h GLN 193 Ca -0.11 0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.49 1sa1 h GLN 193 Cb 0.81 0.09 -0.10 0.00 1.07 0.00 0.00 27.48 29.36 1sa1 h GLN 193 CO 0.18 -0.27 -0.48 1.28 -2.65 0.00 0.00 178.83 176.89 1sa1 n LEU 194 N -5.42 -0.85 0.15 -2.39 7.99 0.55 -0.87 117.00 116.16 1sa1 n LEU 194 Ca -0.03 1.62 0.17 0.00 -0.01 0.00 0.00 56.01 57.76 1sa1 n LEU 194 Cb 0.36 -0.28 0.61 0.00 -0.11 0.00 0.00 43.42 44.00 1sa1 n LEU 194 CO 0.07 -1.26 1.15 1.62 -1.51 0.00 0.00 177.39 177.46 1sa1 h VAL 195 N 0.00 0.13 0.00 4.08 3.04 -0.75 -1.79 116.25 120.96 1sa1 h VAL 195 Ca 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 1sa1 h VAL 195 Cb 0.33 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 1sa1 h VAL 195 CO -0.76 0.00 -1.05 -0.62 -1.01 0.00 0.00 177.57 174.13 1sa1 n GLU 196 N -3.18 1.70 -1.51 4.17 -0.58 -0.05 -4.57 120.64 116.62 1sa1 n GLU 196 Ca 0.06 -0.05 0.03 0.00 -0.42 0.00 0.00 57.16 56.78 1sa1 n GLU 196 Cb 0.76 -1.20 0.02 0.00 -0.57 0.00 0.00 31.44 30.44 1sa1 n GLU 196 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1sa1 n ASN 197 N -1.60 0.91 -4.33 1.62 6.94 -0.70 -5.05 115.26 113.05 1sa1 n ASN 197 Ca 0.00 -2.00 -0.29 0.00 -0.02 0.00 0.00 54.58 52.28 1sa1 n ASN 197 Cb 0.27 -0.27 -0.14 0.00 -2.36 0.00 0.00 39.78 37.27 1sa1 n ASN 197 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1sa1 s THR 198 N -0.10 2.04 -0.35 5.53 -4.23 -1.02 -4.89 115.64 112.62 1sa1 s THR 198 Ca 0.32 -1.44 0.23 0.00 -1.18 0.00 0.00 61.69 59.62 1sa1 s THR 198 Cb 0.37 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 72.46 1sa1 s THR 198 CO -0.16 0.25 1.12 0.44 -0.54 0.00 0.00 174.62 175.73 1sa1 h ASP 199 N 4.58 0.00 -2.92 3.99 5.19 -1.73 -3.43 116.42 122.09 1sa1 h ASP 199 Ca -0.47 -0.07 0.05 0.00 -0.62 0.00 0.00 57.03 55.93 1sa1 h ASP 199 Cb 1.15 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.43 1sa1 h ASP 199 CO 0.42 0.03 0.19 -1.83 -3.12 0.00 0.00 179.24 174.94 1sa1 s GLU 200 N -3.31 0.59 0.03 3.56 -1.05 -1.11 -4.74 118.70 112.67 1sa1 s GLU 200 Ca 0.01 0.96 0.04 0.00 -0.15 0.00 0.00 54.97 55.84 1sa1 s GLU 200 Cb 0.10 0.14 -0.02 0.00 -0.44 0.00 0.00 34.13 33.92 1sa1 s GLU 200 CO 0.77 -0.11 -0.12 0.99 0.95 0.00 0.00 175.26 177.73 1sa1 s THR 201 N 1.34 0.97 -0.17 1.83 2.01 -1.26 -3.18 115.64 117.19 1sa1 s THR 201 Ca -0.08 -0.88 -0.10 0.00 0.31 0.00 0.00 61.69 60.94 1sa1 s THR 201 Cb -0.05 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.53 1sa1 s THR 201 CO -0.16 0.01 0.17 -0.31 -0.69 0.00 0.00 174.62 173.64 1sa1 s TYR 202 N -0.78 3.47 -0.26 4.92 1.51 -0.45 -0.85 117.35 124.91 1sa1 s TYR 202 Ca 0.01 0.44 -0.08 0.00 -1.01 0.00 0.00 57.07 56.43 1sa1 s TYR 202 Cb -0.07 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 1sa1 s TYR 202 CO 0.01 0.39 0.09 0.00 -1.11 0.00 0.00 175.55 174.93 1sa1 s ILE 204 N 1.62 4.34 -0.20 0.00 1.09 -0.77 -4.13 121.20 123.15 1sa1 s ILE 204 Ca 0.06 -0.85 -0.12 0.00 -1.10 0.00 0.00 60.65 58.64 1sa1 s ILE 204 Cb -0.15 -3.38 -0.05 0.00 -1.06 0.00 0.00 42.46 37.81 1sa1 s ILE 204 CO 0.05 -0.16 0.21 -0.62 -0.10 0.00 0.00 174.94 174.32 1sa1 s ASP 205 N 1.52 6.26 0.55 3.58 -1.08 -0.70 -1.47 116.67 125.34 1sa1 s ASP 205 Ca 0.02 0.30 0.24 0.00 -0.52 0.00 0.00 52.55 52.58 1sa1 s ASP 205 Cb -0.19 -2.13 1.54 0.00 -1.46 0.00 0.00 42.92 40.68 1sa1 s ASP 205 CO 0.05 0.10 2.17 0.78 0.52 0.00 0.00 175.17 178.80 1sa1 h ASN 206 N 6.98 0.00 -0.39 -0.34 -0.26 -1.71 -2.41 115.58 117.45 1sa1 h ASN 206 Ca -0.40 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.36 1sa1 h ASN 206 Cb 1.16 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.40 1sa1 h ASN 206 CO 0.73 0.04 0.24 -0.33 -1.06 0.00 0.00 177.43 177.05 1sa1 h GLU 207 N 0.00 0.48 -0.32 0.81 5.08 -1.88 0.89 114.58 119.63 1sa1 h GLU 207 Ca -0.00 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1sa1 h GLU 207 Cb 0.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1sa1 h GLU 207 CO 0.01 0.32 -0.09 0.00 -1.00 0.00 0.00 179.01 178.24 1sa1 h ALA 208 N 1.16 0.44 -1.00 3.43 0.00 -1.75 -1.24 119.26 120.31 1sa1 h ALA 208 Ca 0.15 -0.30 0.16 0.00 0.00 0.00 0.00 54.91 54.92 1sa1 h ALA 208 Cb -0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.57 1sa1 h ALA 208 CO -0.06 0.29 0.62 -0.07 0.00 0.00 0.00 179.25 180.03 1sa1 h LEU 209 N 0.40 0.82 -0.01 0.00 4.07 -0.87 0.28 115.31 120.00 1sa1 h LEU 209 Ca 0.08 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1sa1 h LEU 209 Cb 0.59 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1sa1 h LEU 209 CO 0.03 0.36 -0.06 0.22 -1.08 0.00 0.00 178.44 177.91 1sa1 h TYR 210 N 0.84 0.08 -0.49 1.13 5.03 0.80 -3.25 116.97 121.11 1sa1 h TYR 210 Ca 0.54 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.81 1sa1 h TYR 210 Cb 0.75 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.99 1sa1 h TYR 210 CO -0.00 0.72 0.28 -0.44 -1.32 0.00 0.00 178.16 177.40 1sa1 h ASP 211 N -0.58 0.59 0.61 -2.11 3.32 0.10 0.56 116.42 118.91 1sa1 h ASP 211 Ca -0.00 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1sa1 h ASP 211 Cb 0.73 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1sa1 h ASP 211 CO 0.01 0.47 -0.42 0.40 -1.72 0.00 0.00 179.24 177.98 1sa1 h ILE 212 N 0.68 1.12 0.00 0.35 5.03 -0.66 -1.31 117.51 122.72 1sa1 h ILE 212 Ca 0.18 -1.54 -0.18 0.00 -0.12 0.00 0.00 64.86 63.20 1sa1 h ILE 212 Cb 0.00 1.87 -0.03 0.00 -3.03 0.00 0.00 36.82 35.64 1sa1 h ILE 212 CO -0.03 0.41 -0.91 0.00 -0.68 0.00 0.00 178.15 176.94 1sa1 n PHE 214 N -3.28 -0.06 0.19 0.00 7.35 -0.91 -2.51 117.46 118.24 1sa1 n PHE 214 Ca -0.01 0.01 0.14 0.00 -0.76 0.00 0.00 57.45 56.84 1sa1 n PHE 214 Cb 0.89 0.03 0.74 0.00 0.35 0.00 0.00 39.48 41.48 1sa1 n PHE 214 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1sa1 h ARG 215 N 0.00 0.00 -1.05 -4.13 2.47 -1.43 -3.30 114.38 106.93 1sa1 h ARG 215 Ca 0.00 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.34 1sa1 h ARG 215 Cb 0.51 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 28.55 1sa1 h ARG 215 CO 0.00 0.00 -0.83 0.25 0.56 0.00 0.00 179.97 179.95 1sa1 n THR 216 N -4.21 -0.21 0.00 2.04 -2.24 -1.16 -4.91 114.28 103.59 1sa1 n THR 216 Ca 0.01 -3.00 0.00 0.00 -2.27 0.00 0.00 64.05 58.79 1sa1 n THR 216 Cb 0.27 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1sa1 n THR 216 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sa1 n LEU 217 N 0.83 0.00 0.00 3.22 4.32 -1.19 -4.64 117.00 119.54 1sa1 n LEU 217 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.15 1sa1 n LEU 217 Cb 0.64 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 1sa1 n LEU 217 CO 0.12 0.00 0.00 0.29 -1.22 0.00 0.00 177.39 176.58 1sa1 n LYS 218 N 0.00 0.00 -2.15 3.23 4.76 -1.25 -4.73 118.16 118.02 1sa1 n LYS 218 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 1sa1 n LYS 218 Cb 0.00 -2.78 -0.02 0.00 -1.84 0.00 0.00 35.03 30.39 1sa1 n LYS 218 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1sa1 s LEU 219 N 0.00 3.73 -0.05 -0.35 0.05 -1.05 -4.96 118.68 116.06 1sa1 s LEU 219 Ca 0.00 1.36 -0.25 0.00 0.05 0.00 0.00 54.13 55.29 1sa1 s LEU 219 Cb 0.00 -3.53 -0.23 0.00 -2.05 0.00 0.00 46.19 40.38 1sa1 s LEU 219 CO 0.00 -1.39 1.06 0.74 -0.55 0.00 0.00 176.35 176.20 1sa1 h THR 220 N 6.37 1.53 -3.43 5.48 2.02 -1.90 -3.36 112.91 119.62 1sa1 h THR 220 Ca -0.32 -1.83 -0.70 0.00 0.77 0.00 0.00 66.41 64.33 1sa1 h THR 220 Cb 1.14 2.68 -0.33 0.00 -1.74 0.00 0.00 68.15 69.90 1sa1 h THR 220 CO 1.03 0.50 -0.50 -0.89 0.37 0.00 0.00 175.52 176.02 1sa1 s THR 221 N -3.28 3.55 -0.28 3.16 2.01 -1.26 -5.04 115.64 114.51 1sa1 s THR 221 Ca -0.16 -2.00 -0.29 0.00 0.31 0.00 0.00 61.69 59.55 1sa1 s THR 221 Cb 0.01 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1sa1 s THR 221 CO 0.73 -0.72 1.80 -2.84 -0.69 0.00 0.00 174.62 172.90 1sa1 s PRO 222 N 1.17 3.46 1.23 4.92 0.02 -1.26 -4.99 135.00 139.55 1sa1 s PRO 222 Ca 0.08 1.59 -0.18 0.00 0.02 0.00 0.00 61.00 62.51 1sa1 s PRO 222 Cb -0.24 -4.17 0.27 0.00 0.02 0.00 0.00 34.50 30.38 1sa1 s PRO 222 CO -0.03 -1.70 0.59 2.41 -0.33 0.00 0.00 177.00 177.94 1sa1 n THR 223 N 7.14 0.00 0.09 0.99 -1.04 -1.16 -4.90 114.28 115.39 1sa1 n THR 223 Ca 0.22 -0.08 -0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1sa1 n THR 223 Cb 0.46 -0.74 -0.04 0.00 -1.82 0.00 0.00 70.33 68.19 1sa1 n THR 223 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1sa1 h TYR 224 N -3.07 0.00 0.00 -1.42 -1.99 -1.99 -3.41 116.97 105.09 1sa1 h TYR 224 Ca -0.35 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.38 1sa1 h TYR 224 Cb 1.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.81 1sa1 h TYR 224 CO -2.97 0.62 0.00 0.41 -0.00 0.00 0.00 178.16 176.23 1sa1 n GLY 225 N 1.31 -0.17 3.27 3.88 0.00 -1.26 -1.39 105.19 110.83 1sa1 n GLY 225 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1sa1 n GLY 225 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sa1 n ASP 226 N -0.36 -0.22 0.00 1.61 3.85 -1.26 0.16 116.55 120.34 1sa1 n ASP 226 Ca 0.00 -1.78 0.00 0.00 -0.71 0.00 0.00 54.79 52.30 1sa1 n ASP 226 Cb 0.00 -0.83 0.00 0.00 -1.35 0.00 0.00 41.12 38.94 1sa1 n ASP 226 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 1sa1 n LEU 227 N 10.07 0.00 -0.26 -2.12 7.94 -1.26 -3.01 117.00 128.36 1sa1 n LEU 227 Ca 0.22 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 55.11 1sa1 n LEU 227 Cb 0.43 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.49 1sa1 n LEU 227 CO 0.61 0.00 1.12 0.78 -1.11 0.00 0.00 177.39 178.79 1sa1 h ASN 228 N 0.00 0.64 -0.28 1.96 2.35 0.28 -2.47 115.58 118.07 1sa1 h ASN 228 Ca 0.00 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 55.86 1sa1 h ASN 228 Cb 0.00 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1sa1 h ASN 228 CO 0.00 0.41 0.31 -0.74 -1.65 0.00 0.00 177.43 175.76 1sa1 h HIS 229 N 0.77 0.00 0.56 1.19 -0.00 -1.73 0.30 115.15 116.25 1sa1 h HIS 229 Ca 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.67 1sa1 h HIS 229 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.59 1sa1 h HIS 229 CO -0.06 0.00 -0.36 1.25 -0.00 0.00 0.00 177.93 178.76 1sa1 h LEU 230 N 0.00 -0.92 -0.55 0.26 5.85 -1.71 -0.33 115.31 117.91 1sa1 h LEU 230 Ca 0.13 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1sa1 h LEU 230 Cb 0.76 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1sa1 h LEU 230 CO -0.00 -0.55 0.34 0.58 -0.34 0.00 0.00 178.44 178.48 1sa1 h VAL 231 N -0.87 1.09 -0.01 1.05 2.07 -0.60 -0.20 116.25 118.78 1sa1 h VAL 231 Ca -0.08 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1sa1 h VAL 231 Cb 0.70 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1sa1 h VAL 231 CO 0.07 0.13 -0.07 0.77 0.02 0.00 0.00 177.57 178.48 1sa1 h SER 232 N 0.69 -0.21 -0.79 0.57 4.64 -0.98 -0.01 113.55 117.46 1sa1 h SER 232 Ca 0.22 0.02 0.18 0.00 -0.47 0.00 0.00 61.79 61.74 1sa1 h SER 232 Cb -0.01 0.08 -0.14 0.00 -0.31 0.00 0.00 62.40 62.02 1sa1 h SER 232 CO -0.08 -0.07 -0.07 0.00 -0.87 0.00 0.00 176.83 175.74 1sa1 h ALA 233 N -1.34 0.72 0.05 5.18 0.00 -0.57 0.31 119.26 123.61 1sa1 h ALA 233 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1sa1 h ALA 233 Cb 0.09 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1sa1 h ALA 233 CO -0.05 -0.43 -0.31 1.15 0.00 0.00 0.00 179.25 179.61 1sa1 h THR 234 N 0.05 0.32 -0.83 0.00 2.02 -0.75 -1.67 112.91 112.05 1sa1 h THR 234 Ca 0.42 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.79 1sa1 h THR 234 Cb 0.72 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 1sa1 h THR 234 CO -0.75 0.00 0.56 0.24 0.37 0.00 0.00 175.52 175.94 1sa1 h MET 235 N -0.49 0.31 0.17 6.66 2.86 0.10 -1.14 114.93 123.40 1sa1 h MET 235 Ca 0.05 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1sa1 h MET 235 Cb 0.56 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1sa1 h MET 235 CO -0.23 0.21 -0.11 1.03 1.06 0.00 0.00 176.91 178.87 1sa1 h SER 236 N 0.32 -0.27 0.00 1.22 0.87 -0.39 -2.77 113.55 112.52 1sa1 h SER 236 Ca 0.42 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1sa1 h SER 236 Cb 1.14 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1sa1 h SER 236 CO -0.12 -0.16 0.01 0.61 -0.53 0.00 0.00 176.83 176.64 1sa1 n GLY 237 N -1.13 -0.14 0.07 5.77 0.00 -0.80 -1.06 105.19 107.89 1sa1 n GLY 237 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 1sa1 n GLY 237 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sa1 n VAL 238 N -1.12 0.95 -0.03 1.61 0.31 -0.50 -4.37 118.33 115.19 1sa1 n VAL 238 Ca 0.00 -0.74 -0.06 0.00 -0.01 0.00 0.00 64.34 63.52 1sa1 n VAL 238 Cb 0.01 -0.32 -0.13 0.00 -0.91 0.00 0.00 33.84 32.49 1sa1 n VAL 238 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1sa1 n THR 239 N -2.60 1.42 0.00 2.52 -2.24 -0.42 -4.62 114.28 108.33 1sa1 n THR 239 Ca -0.23 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.77 1sa1 n THR 239 Cb 0.97 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1sa1 n THR 239 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sa1 n THR 240 N -2.92 0.00 -0.31 4.28 -2.24 -0.22 0.55 114.28 113.41 1sa1 n THR 240 Ca -0.18 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.77 1sa1 n THR 240 Cb 1.01 0.00 0.36 0.00 -2.10 0.00 0.00 70.33 69.60 1sa1 n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sa1 n LEU 242 N -5.14 0.07 0.04 0.00 -0.00 0.19 -3.17 117.00 109.00 1sa1 n LEU 242 Ca 0.25 0.31 0.06 0.00 -0.00 0.00 0.00 56.01 56.63 1sa1 n LEU 242 Cb 0.79 -0.34 -0.07 0.00 -0.00 0.00 0.00 43.42 43.79 1sa1 n LEU 242 CO 0.08 0.01 -0.33 0.54 -0.00 0.00 0.00 177.39 177.70 1sa1 n ARG 243 N -1.33 0.63 0.00 1.47 1.74 0.15 -4.85 116.66 114.47 1sa1 n ARG 243 Ca 0.12 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1sa1 n ARG 243 Cb 0.28 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1sa1 n ARG 243 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1sa1 n PHE 244 N -2.67 0.00 0.00 -1.55 0.99 -0.99 -4.23 117.46 109.01 1sa1 n PHE 244 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 1sa1 n PHE 244 Cb 0.70 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.18 1sa1 n PHE 244 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1sa1 n PRO 245 N 0.00 1.71 -0.11 -1.08 -0.05 -1.26 -4.45 135.00 129.76 1sa1 n PRO 245 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 63.50 63.25 1sa1 n PRO 245 Cb 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 33.50 33.36 1sa1 n PRO 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1sa1 n GLY 246 N 5.00 -0.74 3.44 0.55 0.00 -1.26 -4.84 105.19 107.34 1sa1 n GLY 246 Ca 0.00 -0.03 -0.56 0.00 0.00 0.00 0.00 46.02 45.44 1sa1 n GLY 246 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sa1 n GLN 247 N -4.42 0.68 0.00 1.61 1.13 -1.26 -4.24 117.38 110.88 1sa1 n GLN 247 Ca -0.33 0.20 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 1sa1 n GLN 247 Cb 0.66 -2.03 0.00 0.00 0.11 0.00 0.00 30.24 28.98 1sa1 n GLN 247 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1sa1 n LEU 248 N 8.06 0.00 0.00 1.08 -0.00 -1.26 -4.83 117.00 120.05 1sa1 n LEU 248 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.44 1sa1 n LEU 248 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 1sa1 n LEU 248 CO 0.82 0.00 0.00 0.59 -0.00 0.00 0.00 177.39 178.80 1sa1 n ASN 249 N 2.06 0.00 -2.80 1.45 3.02 -1.26 -4.89 115.26 112.84 1sa1 n ASN 249 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 1sa1 n ASN 249 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1sa1 n ASN 249 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sa1 n ALA 250 N -1.00 -3.27 0.57 5.41 0.00 -1.26 -3.84 120.51 117.12 1sa1 n ALA 250 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1sa1 n ALA 250 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1sa1 n ALA 250 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sa1 n ASP 251 N 0.54 2.14 0.00 0.00 9.92 -1.26 -4.60 116.55 123.29 1sa1 n ASP 251 Ca 0.02 -1.39 0.00 0.00 -0.53 0.00 0.00 54.79 52.89 1sa1 n ASP 251 Cb 0.14 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 1sa1 n ASP 251 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1sa1 n LEU 252 N 0.76 0.00 0.28 0.64 7.94 -1.26 -3.20 117.00 122.16 1sa1 n LEU 252 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 1sa1 n LEU 252 Cb 0.33 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.21 1sa1 n LEU 252 CO 0.00 0.00 0.52 -0.09 -1.11 0.00 0.00 177.39 176.71 1sa1 h ARG 253 N 0.00 -0.79 -0.93 1.96 9.65 -1.95 -1.58 114.38 120.73 1sa1 h ARG 253 Ca 0.00 0.05 0.24 0.00 -1.10 0.00 0.00 59.98 59.17 1sa1 h ARG 253 Cb 0.00 0.18 -0.13 0.00 -1.39 0.00 0.00 29.97 28.63 1sa1 h ARG 253 CO 0.00 -0.53 0.45 0.87 2.80 0.00 0.00 179.97 183.57 1sa1 h LYS 254 N -0.82 0.41 -0.80 0.20 1.57 -1.88 1.39 116.57 116.64 1sa1 h LYS 254 Ca -0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1sa1 h LYS 254 Cb 0.67 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1sa1 h LYS 254 CO 0.04 0.27 0.00 -0.11 -0.57 0.00 0.00 179.45 179.08 1sa1 n LEU 255 N -5.02 0.80 0.02 2.94 0.00 -0.99 -3.70 117.00 111.06 1sa1 n LEU 255 Ca 0.24 -0.40 -0.01 0.00 0.00 0.00 0.00 56.01 55.84 1sa1 n LEU 255 Cb 0.72 -0.40 -0.00 0.00 0.00 0.00 0.00 43.42 43.73 1sa1 n LEU 255 CO 0.13 0.20 -0.09 0.00 0.00 0.00 0.00 177.39 177.63 1sa1 n ALA 256 N -0.05 2.65 -0.53 1.96 0.00 0.47 -4.43 120.51 120.58 1sa1 n ALA 256 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 1sa1 n ALA 256 Cb 0.20 0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 1sa1 n ALA 256 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1sa1 n VAL 257 N -3.51 1.78 0.00 0.00 3.14 -0.63 0.47 118.33 119.58 1sa1 n VAL 257 Ca -0.02 -0.69 0.00 0.00 -2.96 0.00 0.00 64.34 60.67 1sa1 n VAL 257 Cb 0.07 -1.59 0.00 0.00 -1.06 0.00 0.00 33.84 31.26 1sa1 n VAL 257 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1sa1 n ASN 258 N 2.09 0.00 -0.09 6.55 2.85 -1.24 -4.88 115.26 120.54 1sa1 n ASN 258 Ca 0.14 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.52 1sa1 n ASN 258 Cb 0.50 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.38 1sa1 n ASN 258 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1sa1 n MET 259 N -0.16 1.09 -4.03 1.20 2.81 0.18 -4.89 117.12 113.31 1sa1 n MET 259 Ca 0.00 -0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.55 1sa1 n MET 259 Cb 0.00 -1.45 -0.15 0.00 -0.71 0.00 0.00 33.22 30.91 1sa1 n MET 259 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1sa1 s VAL 260 N -2.43 2.49 -0.25 2.03 -7.23 -0.42 -4.60 120.40 109.99 1sa1 s VAL 260 Ca -0.09 -1.16 0.23 0.00 -1.81 0.00 0.00 61.98 59.15 1sa1 s VAL 260 Cb 0.05 -2.26 0.29 0.00 0.56 0.00 0.00 36.38 35.02 1sa1 s VAL 260 CO 0.72 0.23 1.66 -0.65 -0.31 0.00 0.00 175.10 176.75 1sa1 h PRO 261 N 7.93 0.00 -4.56 4.82 0.11 -1.91 -3.44 132.00 134.94 1sa1 h PRO 261 Ca -0.33 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.38 1sa1 h PRO 261 Cb 1.10 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.91 1sa1 h PRO 261 CO 0.56 0.11 -0.78 -0.06 -0.21 0.00 0.00 178.00 177.62 1sa1 s PHE 262 N -3.28 0.86 0.30 0.65 0.40 -1.26 -5.01 117.98 110.64 1sa1 s PHE 262 Ca 0.05 -0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 1sa1 s PHE 262 Cb 0.07 -0.61 0.77 0.00 0.51 0.00 0.00 43.02 43.76 1sa1 s PHE 262 CO 0.66 -0.08 1.64 -1.00 0.70 0.00 0.00 175.22 177.15 1sa1 h PRO 263 N 6.29 0.20 -2.60 0.24 0.13 -2.00 -2.32 132.00 131.95 1sa1 h PRO 263 Ca -0.33 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 1sa1 h PRO 263 Cb 1.17 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1sa1 h PRO 263 CO 0.49 0.13 0.26 0.54 -0.23 0.00 0.00 178.00 179.19 1sa1 n ARG 264 N -5.22 0.27 0.00 0.86 5.12 -1.26 -4.67 116.66 111.76 1sa1 n ARG 264 Ca 0.23 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1sa1 n ARG 264 Cb 0.74 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.50 1sa1 n ARG 264 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1sa1 n LEU 265 N 2.63 0.00 -0.24 0.55 -0.00 -0.87 -4.74 117.00 114.33 1sa1 n LEU 265 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1sa1 n LEU 265 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 1sa1 n LEU 265 CO 0.16 0.00 0.00 1.41 -0.00 0.00 0.00 177.39 178.96 1sa1 n HIS 266 N 0.15 0.00 -3.94 1.47 8.25 -1.26 -4.09 115.22 115.80 1sa1 n HIS 266 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1sa1 n HIS 266 Cb 0.00 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 30.97 1sa1 n HIS 266 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1sa1 s PHE 267 N 0.00 3.51 -0.15 4.41 0.40 -1.26 -4.35 117.98 120.55 1sa1 s PHE 267 Ca 0.00 0.36 -0.15 0.00 -0.60 0.00 0.00 56.93 56.54 1sa1 s PHE 267 Cb 0.00 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 1sa1 s PHE 267 CO 0.00 0.65 0.35 -0.06 0.70 0.00 0.00 175.22 176.86 1sa1 s PHE 268 N -1.25 3.48 0.04 0.36 2.99 -0.03 -4.62 117.98 118.94 1sa1 s PHE 268 Ca 0.24 0.69 -0.28 0.00 0.00 0.00 0.00 56.93 57.58 1sa1 s PHE 268 Cb -0.12 -2.41 -0.04 0.00 0.00 0.00 0.00 43.02 40.44 1sa1 s PHE 268 CO 0.15 0.22 0.90 0.00 -0.00 0.00 0.00 175.22 176.49 1sa1 s MET 269 N 0.52 4.58 0.86 0.44 0.23 0.13 -1.64 119.30 124.41 1sa1 s MET 269 Ca 0.20 1.30 -0.11 0.00 -1.03 0.00 0.00 55.69 56.05 1sa1 s MET 269 Cb -0.14 -3.42 0.16 0.00 -1.53 0.00 0.00 34.83 29.90 1sa1 s MET 269 CO 0.06 0.11 1.19 -1.25 -2.03 0.00 0.00 175.02 173.10 1sa1 s PRO 270 N 0.48 1.19 -0.27 3.16 0.05 -1.26 -0.46 135.00 137.88 1sa1 s PRO 270 Ca 0.46 -0.53 -0.24 0.00 0.05 0.00 0.00 61.00 60.75 1sa1 s PRO 270 Cb -0.21 -2.01 0.07 0.00 0.05 0.00 0.00 34.50 32.40 1sa1 s PRO 270 CO 0.26 -1.97 0.73 0.20 0.05 0.00 0.00 177.00 176.28 1sa1 s GLY 271 N -4.78 -0.53 0.45 0.56 0.00 -1.00 -0.24 107.32 101.78 1sa1 s GLY 271 Ca 0.69 2.13 0.07 0.00 0.00 0.00 0.00 44.72 47.61 1sa1 s GLY 271 CO 0.49 1.85 0.40 -0.12 0.00 0.00 0.00 173.10 175.73 1sa1 s PHE 272 N 0.55 2.40 0.00 1.90 5.36 -1.23 -1.29 117.98 125.67 1sa1 s PHE 272 Ca -0.01 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 55.38 1sa1 s PHE 272 Cb -0.05 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.51 1sa1 s PHE 272 CO -0.02 -0.25 0.00 0.00 -1.46 0.00 0.00 175.22 173.49 1sa1 n ALA 273 N -1.63 0.00 -2.35 11.12 0.00 -1.01 -4.45 120.51 122.20 1sa1 n ALA 273 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.14 1sa1 n ALA 273 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 1sa1 n ALA 273 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sa1 s PRO 274 N 0.87 3.90 0.18 0.00 0.05 -1.26 -4.83 135.00 133.91 1sa1 s PRO 274 Ca 0.00 0.42 0.00 0.00 0.05 0.00 0.00 61.00 61.47 1sa1 s PRO 274 Cb 0.00 -2.72 -0.04 0.00 0.05 0.00 0.00 34.50 31.78 1sa1 s PRO 274 CO 0.00 0.35 0.06 -0.48 0.05 0.00 0.00 177.00 176.98 1sa1 s LEU 275 N -2.52 1.77 0.00 -3.56 0.05 -1.26 -5.05 118.68 108.11 1sa1 s LEU 275 Ca 0.45 -1.26 0.00 0.00 0.05 0.00 0.00 54.13 53.37 1sa1 s LEU 275 Cb -0.13 0.13 0.00 0.00 -2.05 0.00 0.00 46.19 44.14 1sa1 s LEU 275 CO 0.20 -0.69 0.00 0.41 -0.55 0.00 0.00 176.35 175.72 1sa1 n THR 276 N -0.25 0.00 -2.66 5.48 -1.04 -1.26 -5.14 114.28 109.41 1sa1 n THR 276 Ca -0.04 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.95 1sa1 n THR 276 Cb 0.64 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 69.26 1sa1 n THR 276 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sa1 n GLN 282 N 0.00 0.07 0.08 -2.82 -0.00 -1.26 -5.14 117.38 108.32 1sa1 n GLN 282 Ca 0.00 -0.60 -0.07 0.00 -0.00 0.00 0.00 57.00 56.33 1sa1 n GLN 282 Cb 0.00 -0.08 -0.05 0.00 -0.00 0.00 0.00 30.24 30.10 1sa1 n GLN 282 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 1sa1 h TYR 283 N 2.27 0.11 0.00 2.61 3.20 -2.04 -3.48 116.97 119.64 1sa1 h TYR 283 Ca -0.32 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.48 1sa1 h TYR 283 Cb 1.23 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1sa1 h TYR 283 CO -0.22 0.96 0.00 -2.13 -1.64 0.00 0.00 178.16 175.13 1sa1 n ARG 284 N -3.50 0.00 -0.99 1.82 0.63 -1.26 -4.87 116.66 108.48 1sa1 n ARG 284 Ca -0.02 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.89 1sa1 n ARG 284 Cb 0.87 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.77 1sa1 n ARG 284 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sa1 n ALA 285 N 0.00 0.23 -3.26 5.13 0.00 -1.26 -4.61 120.51 116.74 1sa1 n ALA 285 Ca 0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 53.44 52.33 1sa1 n ALA 285 Cb 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.91 1sa1 n ALA 285 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sa1 n LEU 286 N 4.65 3.89 -0.47 0.00 4.77 -1.26 -5.00 117.00 123.59 1sa1 n LEU 286 Ca 0.04 -5.50 0.39 0.00 -0.03 0.00 0.00 56.01 50.90 1sa1 n LEU 286 Cb 0.35 -0.59 0.68 0.00 -2.33 0.00 0.00 43.42 41.54 1sa1 n LEU 286 CO 0.40 2.16 1.29 0.00 -1.33 0.00 0.00 177.39 179.91 1sa1 h THR 287 N 3.06 0.17 0.00 -5.08 1.03 -1.89 -3.33 112.91 106.87 1sa1 h THR 287 Ca 0.17 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.54 1sa1 h THR 287 Cb 0.62 0.07 0.00 0.00 -1.07 0.00 0.00 68.15 67.77 1sa1 h THR 287 CO 0.82 0.02 0.00 0.52 -0.01 0.00 0.00 175.52 176.87 1sa1 n VAL 288 N -4.49 0.00 0.01 0.00 0.31 -1.26 -4.77 118.33 108.13 1sa1 n VAL 288 Ca 0.36 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.56 1sa1 n VAL 288 Cb 1.47 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 34.33 1sa1 n VAL 288 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1sa1 h PRO 289 N 0.00 -0.50 -0.63 5.55 0.11 -1.94 -0.60 132.00 134.00 1sa1 h PRO 289 Ca 0.00 0.03 0.17 0.00 0.11 0.00 0.00 66.00 66.31 1sa1 h PRO 289 Cb 0.00 0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 1sa1 h PRO 289 CO 0.00 -0.33 0.44 0.93 -0.21 0.00 0.00 178.00 178.83 1sa1 h GLU 290 N -0.52 0.08 0.30 1.05 5.08 -1.86 0.98 114.58 119.68 1sa1 h GLU 290 Ca 0.07 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1sa1 h GLU 290 Cb 0.64 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1sa1 h GLU 290 CO -0.39 0.05 -0.14 1.25 -1.00 0.00 0.00 179.01 178.78 1sa1 h LEU 291 N 0.08 -0.34 -0.31 1.33 6.46 -1.63 -3.16 115.31 117.73 1sa1 h LEU 291 Ca 0.30 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 58.14 1sa1 h LEU 291 Cb 1.09 0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 41.02 1sa1 h LEU 291 CO -0.03 0.01 -0.34 0.71 -0.62 0.00 0.00 178.44 178.17 1sa1 h THR 292 N -0.89 0.23 -0.69 1.05 1.35 -0.20 -1.82 112.91 111.94 1sa1 h THR 292 Ca -0.04 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.96 1sa1 h THR 292 Cb 0.30 0.23 -0.13 0.00 -1.73 0.00 0.00 68.15 66.83 1sa1 h THR 292 CO 0.07 0.00 -0.11 1.56 -0.25 0.00 0.00 175.52 176.79 1sa1 h GLN 293 N -0.31 0.03 0.00 4.72 1.08 -1.00 0.33 115.11 119.97 1sa1 h GLN 293 Ca 0.14 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 1sa1 h GLN 293 Cb 0.55 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1sa1 h GLN 293 CO -0.48 0.02 -0.04 0.37 -0.95 0.00 0.00 178.83 177.75 1sa1 h GLN 294 N 0.04 0.00 0.17 1.46 4.15 -1.37 -3.28 115.11 116.27 1sa1 h GLN 294 Ca 0.35 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.42 1sa1 h GLN 294 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1sa1 h GLN 294 CO -0.67 0.04 -1.75 1.98 -1.93 0.00 0.00 178.83 176.50 1sa1 h MET 295 N 0.00 0.35 -1.01 1.69 4.05 0.43 -3.32 114.93 117.13 1sa1 h MET 295 Ca -0.00 -0.61 -0.35 0.00 -0.28 0.00 0.00 59.70 58.46 1sa1 h MET 295 Cb 0.48 0.23 -0.21 0.00 -0.80 0.00 0.00 31.60 31.30 1sa1 h MET 295 CO 0.01 1.27 0.45 1.19 0.23 0.00 0.00 176.91 180.05 1sa1 n PHE 296 N -3.55 2.08 -3.81 1.39 3.01 -0.73 -4.70 117.46 111.15 1sa1 n PHE 296 Ca -0.24 -1.43 -0.34 0.00 1.01 0.00 0.00 57.45 56.44 1sa1 n PHE 296 Cb 1.07 -0.73 -0.05 0.00 -0.01 0.00 0.00 39.48 39.76 1sa1 n PHE 296 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1sa1 s ASP 297 N -0.56 6.45 0.07 4.37 2.15 -1.25 -5.03 116.67 122.88 1sa1 s ASP 297 Ca 0.39 0.48 -0.28 0.00 0.43 0.00 0.00 52.55 53.57 1sa1 s ASP 297 Cb 0.32 -2.06 -0.13 0.00 -0.30 0.00 0.00 42.92 40.76 1sa1 s ASP 297 CO 0.07 0.26 1.44 0.00 -0.17 0.00 0.00 175.17 176.77 1sa1 h ALA 298 N 3.93 -1.00 0.00 3.66 0.00 -1.88 -2.60 119.26 121.38 1sa1 h ALA 298 Ca -0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1sa1 h ALA 298 Cb 1.19 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1sa1 h ALA 298 CO 0.67 -1.06 0.00 0.36 0.00 0.00 0.00 179.25 179.22 1sa1 n LYS 299 N -4.84 0.20 0.00 0.00 0.00 -1.26 -2.36 118.16 109.89 1sa1 n LYS 299 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1sa1 n LYS 299 Cb 0.35 -1.06 0.00 0.00 -0.00 0.00 0.00 35.03 34.32 1sa1 n LYS 299 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1sa1 n ASN 300 N 0.01 0.00 -4.88 -5.58 2.85 -1.00 -4.86 115.26 101.79 1sa1 n ASN 300 Ca 0.00 -1.00 -0.30 0.00 -0.11 0.00 0.00 54.58 53.17 1sa1 n ASN 300 Cb 0.03 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.05 1sa1 n ASN 300 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1sa1 s MET 301 N 0.00 3.61 0.00 1.20 -1.94 -0.99 -3.55 119.30 117.62 1sa1 s MET 301 Ca 0.00 0.54 0.25 0.00 -1.71 0.00 0.00 55.69 54.77 1sa1 s MET 301 Cb 0.00 -2.21 0.55 0.00 2.01 0.00 0.00 34.83 35.18 1sa1 s MET 301 CO 0.00 -0.39 1.44 -1.33 -0.01 0.00 0.00 175.02 174.73 1sa1 n MET 302 N -2.43 0.14 -5.14 2.03 2.81 0.67 -4.78 117.12 110.43 1sa1 n MET 302 Ca 0.04 -0.08 -0.32 0.00 -1.81 0.00 0.00 57.70 55.53 1sa1 n MET 302 Cb 0.54 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.40 1sa1 n MET 302 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sa1 s ALA 303 N -2.91 2.34 -0.40 3.04 0.00 -1.26 -1.71 121.76 120.85 1sa1 s ALA 303 Ca 0.13 -1.04 -0.31 0.00 0.00 0.00 0.00 51.96 50.75 1sa1 s ALA 303 Cb 0.18 -0.76 -0.10 0.00 0.00 0.00 0.00 23.12 22.44 1sa1 s ALA 303 CO 0.67 0.48 2.30 0.00 0.00 0.00 0.00 175.76 179.21 1sa1 n ALA 304 N 2.65 1.13 0.00 0.00 0.00 -1.26 -4.71 120.51 118.32 1sa1 n ALA 304 Ca -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1sa1 n ALA 304 Cb 0.52 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.19 1sa1 n ALA 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sa1 s ASP 306 N 0.00 4.05 0.40 0.00 3.84 -1.26 -4.77 116.67 118.92 1sa1 s ASP 306 Ca 0.00 -2.23 -0.22 0.00 -0.00 0.00 0.00 52.55 50.10 1sa1 s ASP 306 Cb 0.00 -1.14 -0.15 0.00 -1.38 0.00 0.00 42.92 40.25 1sa1 s ASP 306 CO 0.00 -0.34 0.18 -2.65 -0.00 0.00 0.00 175.17 172.36 1sa1 n PRO 307 N 4.08 0.09 0.00 2.11 -0.02 -1.26 -2.55 135.00 137.44 1sa1 n PRO 307 Ca 0.04 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1sa1 n PRO 307 Cb 0.38 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 1sa1 n PRO 307 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1sa1 n ARG 308 N 1.20 0.00 -0.08 -0.52 5.12 -1.26 -4.79 116.66 116.32 1sa1 n ARG 308 Ca 0.12 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 56.05 1sa1 n ARG 308 Cb 0.39 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.75 1sa1 n ARG 308 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1sa1 n HIS 309 N 0.00 0.21 -3.64 -1.55 8.25 -1.06 -4.61 115.22 112.82 1sa1 n HIS 309 Ca 0.00 -0.09 -0.05 0.00 -0.26 0.00 0.00 57.72 57.32 1sa1 n HIS 309 Cb 0.00 -0.05 -0.07 0.00 1.12 0.00 0.00 29.99 30.99 1sa1 n HIS 309 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1sa1 s GLY 310 N -0.74 -0.22 0.89 -1.41 0.00 -1.26 -4.59 107.32 99.99 1sa1 s GLY 310 Ca 0.08 2.83 -0.11 0.00 0.00 0.00 0.00 44.72 47.52 1sa1 s GLY 310 CO 0.05 2.40 1.10 0.50 0.00 0.00 0.00 173.10 177.14 1sa1 s ARG 311 N 1.23 1.32 -0.18 2.90 0.52 -1.26 -4.42 118.95 119.06 1sa1 s ARG 311 Ca -0.07 1.05 -0.09 0.00 -0.52 0.00 0.00 55.73 56.10 1sa1 s ARG 311 Cb -0.04 -1.80 -0.05 0.00 0.52 0.00 0.00 34.95 33.58 1sa1 s ARG 311 CO -0.14 -2.26 0.13 0.71 0.02 0.00 0.00 175.30 173.75 1sa1 s TYR 312 N -2.84 3.43 -0.01 -0.53 4.12 -1.26 -1.21 117.35 119.06 1sa1 s TYR 312 Ca 0.64 0.35 -0.03 0.00 0.02 0.00 0.00 57.07 58.05 1sa1 s TYR 312 Cb -0.19 -2.11 -0.01 0.00 -1.52 0.00 0.00 41.96 38.13 1sa1 s TYR 312 CO 0.57 0.37 0.40 -0.07 0.02 0.00 0.00 175.55 176.85 1sa1 h LEU 313 N 6.32 -0.08 -7.41 -1.29 4.07 -0.49 -1.81 115.31 114.61 1sa1 h LEU 313 Ca -0.44 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.39 1sa1 h LEU 313 Cb 1.17 0.02 -0.24 0.00 1.08 0.00 0.00 40.66 42.69 1sa1 h LEU 313 CO 0.72 0.00 -0.32 0.42 -1.08 0.00 0.00 178.44 178.18 1sa1 s THR 314 N -2.00 0.01 -0.05 0.22 -4.23 -1.08 -4.69 115.64 103.82 1sa1 s THR 314 Ca -0.01 -0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1sa1 s THR 314 Cb 0.00 -0.49 0.01 0.00 1.34 0.00 0.00 72.50 73.37 1sa1 s THR 314 CO 0.04 -0.03 0.14 -0.69 -0.54 0.00 0.00 174.62 173.54 1sa1 s VAL 315 N -0.02 -0.00 -0.05 2.29 1.01 0.35 -2.34 120.40 121.63 1sa1 s VAL 315 Ca -0.02 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1sa1 s VAL 315 Cb -0.03 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.16 1sa1 s VAL 315 CO 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 175.10 174.99 1sa1 s ALA 316 N 0.13 1.20 -0.03 5.51 0.00 -0.31 -2.48 121.76 125.77 1sa1 s ALA 316 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1sa1 s ALA 316 Cb -0.01 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1sa1 s ALA 316 CO -0.00 0.13 0.00 0.00 0.00 0.00 0.00 175.76 175.90 1sa1 s ALA 317 N 0.52 0.29 -0.06 0.00 0.00 -0.57 0.96 121.76 122.91 1sa1 s ALA 317 Ca -0.11 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.07 1sa1 s ALA 317 Cb -0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1sa1 s ALA 317 CO 0.03 -0.07 -0.19 0.14 0.00 0.00 0.00 175.76 175.67 1sa1 s VAL 318 N 1.01 2.63 0.20 0.00 -7.23 0.10 -0.96 120.40 116.15 1sa1 s VAL 318 Ca -0.10 -0.87 0.05 0.00 -1.81 0.00 0.00 61.98 59.25 1sa1 s VAL 318 Cb -0.14 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1sa1 s VAL 318 CO -0.02 0.57 0.23 -0.36 -0.31 0.00 0.00 175.10 175.21 1sa1 s PHE 319 N -0.41 3.26 -0.12 2.82 0.40 0.43 -0.68 117.98 123.67 1sa1 s PHE 319 Ca 0.04 -0.02 -0.04 0.00 -0.60 0.00 0.00 56.93 56.30 1sa1 s PHE 319 Cb -0.12 -1.52 0.06 0.00 0.51 0.00 0.00 43.02 41.95 1sa1 s PHE 319 CO 0.02 0.50 0.24 0.50 0.70 0.00 0.00 175.22 177.18 1sa1 s ARG 320 N -3.54 0.12 0.00 0.44 6.06 0.13 -1.40 118.95 120.76 1sa1 s ARG 320 Ca 0.33 0.70 0.00 0.00 -2.50 0.00 0.00 55.73 54.26 1sa1 s ARG 320 Cb -0.09 -0.09 0.00 0.00 0.06 0.00 0.00 34.95 34.83 1sa1 s ARG 320 CO 0.26 -0.29 0.00 0.41 -2.50 0.00 0.00 175.30 173.18 1sa1 n GLY 321 N 5.32 0.38 3.34 8.12 0.00 0.46 -1.29 105.19 121.51 1sa1 n GLY 321 Ca -0.06 -1.75 -0.46 0.00 0.00 0.00 0.00 46.02 43.75 1sa1 n GLY 321 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sa1 s ARG 322 N -1.92 3.08 0.00 1.61 1.81 -1.26 -3.93 118.95 118.35 1sa1 s ARG 322 Ca 0.00 -1.64 0.00 0.00 -1.72 0.00 0.00 55.73 52.37 1sa1 s ARG 322 Cb 0.00 -4.32 0.00 0.00 -0.45 0.00 0.00 34.95 30.18 1sa1 s ARG 322 CO 0.00 -1.42 0.00 0.00 -0.68 0.00 0.00 175.30 173.20 1sa1 n MET 323 N 5.55 1.28 -3.66 3.54 0.00 -1.26 -4.98 117.12 117.59 1sa1 n MET 323 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.41 1sa1 n MET 323 Cb 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.46 1sa1 n MET 323 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1sa1 s SER 324 N 1.00 1.15 0.11 3.17 1.04 -1.26 -4.93 113.70 113.98 1sa1 s SER 324 Ca 0.00 0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.54 1sa1 s SER 324 Cb 0.00 -0.06 0.21 0.00 0.10 0.00 0.00 66.02 66.26 1sa1 s SER 324 CO 0.00 -0.26 0.91 0.23 0.98 0.00 0.00 173.24 175.11 1sa1 n MET 325 N 5.30 0.03 -0.30 4.02 0.00 -1.26 0.65 117.12 125.56 1sa1 n MET 325 Ca -0.04 0.36 -0.04 0.00 0.00 0.00 0.00 57.70 57.98 1sa1 n MET 325 Cb 0.50 -1.87 0.07 0.00 0.00 0.00 0.00 33.22 31.92 1sa1 n MET 325 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1sa1 h LYS 326 N 0.00 1.13 0.03 0.03 6.56 -2.00 -2.76 116.57 119.56 1sa1 h LYS 326 Ca 0.00 -0.12 -0.36 0.00 -1.06 0.00 0.00 60.65 59.11 1sa1 h LYS 326 Cb 0.56 -0.23 -0.05 0.00 -0.57 0.00 0.00 32.23 31.94 1sa1 h LYS 326 CO 0.00 0.81 -2.18 -1.91 -2.06 0.00 0.00 179.45 174.11 1sa1 n GLU 327 N -4.43 0.68 0.28 3.15 2.13 0.21 -4.21 120.64 118.46 1sa1 n GLU 327 Ca 0.08 0.17 -0.15 0.00 0.66 0.00 0.00 57.16 57.92 1sa1 n GLU 327 Cb 0.08 -1.62 -0.08 0.00 0.27 0.00 0.00 31.44 30.08 1sa1 n GLU 327 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1sa1 h VAL 328 N 0.02 0.37 -0.94 6.31 2.07 -1.27 1.11 116.25 123.92 1sa1 h VAL 328 Ca -0.47 -0.32 0.13 0.00 0.82 0.00 0.00 66.70 66.85 1sa1 h VAL 328 Cb 2.05 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 32.21 1sa1 h VAL 328 CO 0.02 0.04 0.56 0.44 0.02 0.00 0.00 177.57 178.65 1sa1 h ASP 329 N -0.95 0.79 -0.71 0.57 3.32 -1.74 0.65 116.42 118.34 1sa1 h ASP 329 Ca -0.07 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1sa1 h ASP 329 Cb 0.63 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1sa1 h ASP 329 CO 0.12 0.40 0.31 -0.08 -1.72 0.00 0.00 179.24 178.27 1sa1 h GLU 330 N 0.86 1.04 -0.09 3.56 4.81 -1.68 -2.92 114.58 120.15 1sa1 h GLU 330 Ca 0.48 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 59.40 1sa1 h GLU 330 Cb 0.54 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.75 1sa1 h GLU 330 CO -0.29 0.83 -0.47 0.37 -0.73 0.00 0.00 179.01 178.72 1sa1 h GLN 331 N 1.00 0.49 -0.58 1.92 5.75 0.40 -3.21 115.11 120.88 1sa1 h GLN 331 Ca 0.24 -0.40 0.09 0.00 -0.15 0.00 0.00 58.65 58.43 1sa1 h GLN 331 Cb 0.16 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.73 1sa1 h GLN 331 CO -0.03 1.03 0.21 0.52 -2.65 0.00 0.00 178.83 177.92 1sa1 h MET 332 N 0.06 0.38 -0.35 1.69 2.86 0.14 -2.18 114.93 117.54 1sa1 h MET 332 Ca -0.03 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1sa1 h MET 332 Cb 1.12 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.65 1sa1 h MET 332 CO 0.10 0.25 0.11 -0.07 1.06 0.00 0.00 176.91 178.36 1sa1 h LEU 333 N 0.40 0.11 0.00 1.22 4.07 -1.59 -1.23 115.31 118.29 1sa1 h LEU 333 Ca 0.29 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.29 1sa1 h LEU 333 Cb 0.34 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1sa1 h LEU 333 CO -0.29 0.10 0.00 -3.20 -1.08 0.00 0.00 178.44 173.97 1sa1 n ASN 334 N -5.03 0.00 -0.07 -0.43 5.15 -0.83 -1.43 115.26 112.62 1sa1 n ASN 334 Ca 0.01 -0.11 -0.08 0.00 -0.60 0.00 0.00 54.58 53.80 1sa1 n ASN 334 Cb 0.13 -0.10 -0.04 0.00 -0.53 0.00 0.00 39.78 39.24 1sa1 n ASN 334 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1sa1 h VAL 335 N 0.00 0.31 0.00 3.44 2.07 -1.08 -3.19 116.25 117.80 1sa1 h VAL 335 Ca 0.00 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1sa1 h VAL 335 Cb 0.02 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1sa1 h VAL 335 CO 0.00 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1sa1 n GLN 336 N -4.61 0.48 0.03 1.57 10.64 -0.51 -0.71 117.38 124.26 1sa1 n GLN 336 Ca -0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 1sa1 n GLN 336 Cb 0.31 -1.25 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 1sa1 n GLN 336 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1sa1 n ASN 337 N 0.46 0.13 0.00 2.61 3.02 -1.13 -3.60 115.26 116.75 1sa1 n ASN 337 Ca 0.00 0.08 0.01 0.00 -0.03 0.00 0.00 54.58 54.64 1sa1 n ASN 337 Cb 0.17 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.42 1sa1 n ASN 337 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sa1 n LYS 338 N -2.96 0.42 0.00 3.52 4.76 -0.94 -1.11 118.16 121.86 1sa1 n LYS 338 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1sa1 n LYS 338 Cb 0.20 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 1sa1 n LYS 338 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1sa1 n ASN 339 N -0.59 0.00 -0.27 4.39 5.03 0.11 -4.98 115.26 118.94 1sa1 n ASN 339 Ca 0.02 -0.98 0.24 0.00 0.87 0.00 0.00 54.58 54.72 1sa1 n ASN 339 Cb 0.01 0.00 0.44 0.00 -1.02 0.00 0.00 39.78 39.21 1sa1 n ASN 339 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1sa1 n SER 340 N 0.00 0.20 -0.12 6.41 3.41 -0.26 -1.25 113.62 122.02 1sa1 n SER 340 Ca 0.00 1.40 -0.07 0.00 -0.26 0.00 0.00 58.87 59.94 1sa1 n SER 340 Cb 0.25 -0.64 -0.05 0.00 -0.26 0.00 0.00 64.21 63.50 1sa1 n SER 340 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sa1 h SER 341 N 0.00 -1.03 -2.38 4.04 0.02 -1.89 -3.35 113.55 108.96 1sa1 h SER 341 Ca 0.67 0.14 -0.67 0.00 -0.84 0.00 0.00 61.79 61.09 1sa1 h SER 341 Cb 1.69 0.43 -0.16 0.00 0.14 0.00 0.00 62.40 64.50 1sa1 h SER 341 CO -0.68 -0.19 0.79 -0.31 -1.14 0.00 0.00 176.83 175.31 1sa1 s TYR 342 N -4.37 2.94 0.00 3.45 1.51 -0.38 -4.67 117.35 115.84 1sa1 s TYR 342 Ca -0.07 -1.10 0.00 0.00 -1.01 0.00 0.00 57.07 54.88 1sa1 s TYR 342 Cb 0.05 -4.31 0.00 0.00 -0.11 0.00 0.00 41.96 37.58 1sa1 s TYR 342 CO 0.32 -1.57 0.00 1.19 -1.11 0.00 0.00 175.55 174.39 1sa1 n PHE 343 N 7.06 0.00 0.00 2.71 0.99 -1.26 -4.07 117.46 122.89 1sa1 n PHE 343 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 1sa1 n PHE 343 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.96 1sa1 n PHE 343 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1sa1 n VAL 344 N 0.00 0.00 0.24 -4.37 0.31 -0.68 -4.80 118.33 109.03 1sa1 n VAL 344 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 1sa1 n VAL 344 Cb 0.00 0.00 0.44 0.00 -0.91 0.00 0.00 33.84 33.37 1sa1 n VAL 344 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1sa1 h GLU 345 N 0.00 0.00 -0.36 5.55 3.07 -1.91 -3.28 114.58 117.65 1sa1 h GLU 345 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1sa1 h GLU 345 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1sa1 h GLU 345 CO 0.00 0.07 0.00 -2.67 -1.40 0.00 0.00 179.01 175.01 1sa1 n TRP 346 N -3.15 0.03 -3.60 4.33 4.27 -1.26 -4.05 117.44 114.00 1sa1 n TRP 346 Ca 0.02 -0.01 -0.28 0.00 -3.89 0.00 0.00 57.50 53.33 1sa1 n TRP 346 Cb 0.42 -0.04 -0.12 0.00 -1.36 0.00 0.00 31.31 30.22 1sa1 n TRP 346 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1sa1 s ILE 347 N -1.65 1.08 0.10 -1.67 1.01 -1.24 -5.05 121.20 113.79 1sa1 s ILE 347 Ca 0.01 -2.67 -0.19 0.00 0.00 0.00 0.00 60.65 57.80 1sa1 s ILE 347 Cb 0.01 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1sa1 s ILE 347 CO 0.01 -1.02 1.02 -2.65 0.00 0.00 0.00 174.94 172.29 1sa1 n PRO 348 N 3.22 -0.27 -0.38 2.79 -0.02 -1.26 -1.89 135.00 137.19 1sa1 n PRO 348 Ca 0.17 1.00 0.08 0.00 -2.02 0.00 0.00 63.50 62.73 1sa1 n PRO 348 Cb 0.39 -1.47 0.24 0.00 -0.02 0.00 0.00 33.50 32.63 1sa1 n PRO 348 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1sa1 n ASN 349 N -4.64 3.65 0.00 2.55 4.13 -1.26 -4.86 115.26 114.84 1sa1 n ASN 349 Ca 0.01 -2.87 0.00 0.00 1.68 0.00 0.00 54.58 53.40 1sa1 n ASN 349 Cb 0.16 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 1sa1 n ASN 349 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1sa1 n ASN 350 N -0.42 0.00 -3.66 6.41 2.04 -0.79 -4.25 115.26 114.59 1sa1 n ASN 350 Ca 0.19 0.00 -0.28 0.00 -0.44 0.00 0.00 54.58 54.06 1sa1 n ASN 350 Cb 0.81 0.00 -0.16 0.00 -2.53 0.00 0.00 39.78 37.90 1sa1 n ASN 350 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1sa1 s VAL 351 N -0.16 0.26 0.22 3.53 0.11 -1.25 0.13 120.40 123.24 1sa1 s VAL 351 Ca 0.00 -0.59 0.11 0.00 -2.93 0.00 0.00 61.98 58.56 1sa1 s VAL 351 Cb 0.00 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1sa1 s VAL 351 CO 0.00 -0.40 -0.15 -0.54 -3.33 0.00 0.00 175.10 170.68 1sa1 s LYS 352 N 1.96 1.83 -0.06 1.54 -0.14 -1.04 -5.03 119.74 118.81 1sa1 s LYS 352 Ca 0.03 -1.49 -0.03 0.00 -1.36 0.00 0.00 55.97 53.12 1sa1 s LYS 352 Cb -0.17 -1.97 0.03 0.00 -1.68 0.00 0.00 37.83 34.05 1sa1 s LYS 352 CO -0.16 0.39 0.15 0.95 -0.76 0.00 0.00 175.35 175.91 1sa1 s THR 353 N -1.97 -0.04 0.13 2.17 -4.23 -1.26 -1.51 115.64 108.94 1sa1 s THR 353 Ca 0.26 0.15 0.07 0.00 -1.18 0.00 0.00 61.69 60.98 1sa1 s THR 353 Cb -0.07 -0.24 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 1sa1 s THR 353 CO 0.14 0.06 -0.15 0.00 -0.54 0.00 0.00 174.62 174.13 1sa1 s ALA 354 N 1.00 1.66 0.14 3.99 0.00 -0.14 -5.00 121.76 123.42 1sa1 s ALA 354 Ca -0.08 -1.35 0.11 0.00 0.00 0.00 0.00 51.96 50.64 1sa1 s ALA 354 Cb -0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1sa1 s ALA 354 CO -0.05 0.15 -0.26 0.14 0.00 0.00 0.00 175.76 175.74 1sa1 s VAL 355 N -2.10 2.32 -0.19 0.00 -7.23 -1.26 0.16 120.40 112.10 1sa1 s VAL 355 Ca 0.11 -1.81 -0.15 0.00 -1.81 0.00 0.00 61.98 58.32 1sa1 s VAL 355 Cb -0.05 -2.05 0.05 0.00 0.56 0.00 0.00 36.38 34.89 1sa1 s VAL 355 CO 0.04 0.04 0.48 0.00 -0.31 0.00 0.00 175.10 175.35 1sa1 n ASP 357 N 3.36 0.00 -4.01 0.00 10.43 -1.25 -0.40 116.55 124.68 1sa1 n ASP 357 Ca -0.17 -0.91 -0.31 0.00 2.57 0.00 0.00 54.79 55.97 1sa1 n ASP 357 Cb 0.56 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 43.37 1sa1 n ASP 357 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 1sa1 s ILE 358 N -2.00 2.10 0.71 0.53 2.07 -1.26 -4.37 121.20 118.97 1sa1 s ILE 358 Ca 0.35 -2.03 -0.17 0.00 -1.41 0.00 0.00 60.65 57.40 1sa1 s ILE 358 Cb 0.16 -2.45 -0.07 0.00 0.13 0.00 0.00 42.46 40.23 1sa1 s ILE 358 CO 0.27 -0.43 0.30 -2.65 -1.91 0.00 0.00 174.94 170.52 1sa1 n PRO 359 N 4.37 0.23 0.00 3.50 -0.02 -1.26 -4.64 135.00 137.17 1sa1 n PRO 359 Ca -0.02 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1sa1 n PRO 359 Cb 0.42 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1sa1 n PRO 359 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sa1 n PRO 360 N -0.08 0.00 -0.16 0.52 -0.02 -1.26 -5.01 135.00 129.00 1sa1 n PRO 360 Ca 0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.48 1sa1 n PRO 360 Cb 0.50 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 34.06 1sa1 n PRO 360 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1sa1 n ARG 369 N 0.00 -1.62 0.00 -0.52 -4.01 -1.26 -4.91 116.66 104.35 1sa1 n ARG 369 Ca 0.00 -0.42 0.00 0.00 -1.04 0.00 0.00 57.85 56.39 1sa1 n ARG 369 Cb 0.00 -0.67 0.00 0.00 -3.04 0.00 0.00 32.46 28.75 1sa1 n ARG 369 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1sa1 n GLY 370 N -1.30 0.00 0.15 2.89 0.00 -1.26 -4.77 105.19 100.90 1sa1 n GLY 370 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1sa1 n GLY 370 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sa1 n LEU 371 N 0.00 0.00 0.07 0.99 7.99 -1.26 -4.96 117.00 119.84 1sa1 n LEU 371 Ca 0.00 0.07 -0.03 0.00 -0.01 0.00 0.00 56.01 56.05 1sa1 n LEU 371 Cb 0.00 -0.11 -0.06 0.00 -0.11 0.00 0.00 43.42 43.13 1sa1 n LEU 371 CO 0.00 -0.11 0.10 0.07 -1.51 0.00 0.00 177.39 175.94 1sa1 h LYS 372 N 3.07 0.00 -4.84 3.23 2.10 -1.88 -3.41 116.57 114.85 1sa1 h LYS 372 Ca 0.00 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.06 1sa1 h LYS 372 Cb 0.00 0.00 -0.34 0.00 -0.90 0.00 0.00 32.23 30.99 1sa1 h LYS 372 CO 0.00 0.63 -0.84 -1.64 -2.00 0.00 0.00 179.45 175.60 1sa1 s MET 373 N -2.82 2.26 -0.27 0.07 -1.94 -1.26 -4.01 119.30 111.32 1sa1 s MET 373 Ca 0.01 -0.60 -0.14 0.00 -1.71 0.00 0.00 55.69 53.25 1sa1 s MET 373 Cb 0.09 -1.83 0.09 0.00 2.01 0.00 0.00 34.83 35.19 1sa1 s MET 373 CO 0.79 0.03 0.65 0.45 -0.01 0.00 0.00 175.02 176.94 1sa1 s SER 374 N 0.70 -0.94 0.41 3.03 0.15 -0.41 -4.84 113.70 111.79 1sa1 s SER 374 Ca -0.13 1.46 0.01 0.00 0.70 0.00 0.00 55.95 58.00 1sa1 s SER 374 Cb -0.16 1.54 0.01 0.00 -1.71 0.00 0.00 66.02 65.70 1sa1 s SER 374 CO 0.03 -0.23 0.08 0.00 1.20 0.00 0.00 173.24 174.32 1sa1 n ALA 375 N 4.61 0.42 -3.66 5.45 0.00 -1.26 -0.69 120.51 125.37 1sa1 n ALA 375 Ca -0.18 -1.77 -0.05 0.00 0.00 0.00 0.00 53.44 51.44 1sa1 n ALA 375 Cb 0.56 0.91 -0.02 0.00 0.00 0.00 0.00 19.45 20.90 1sa1 n ALA 375 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1sa1 s THR 376 N -2.35 0.00 -0.02 0.00 -1.32 0.14 -2.39 115.64 109.70 1sa1 s THR 376 Ca 0.06 -0.41 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 1sa1 s THR 376 Cb -0.01 -1.65 0.02 0.00 -1.51 0.00 0.00 72.50 69.36 1sa1 s THR 376 CO 0.04 0.00 0.02 0.12 -2.21 0.00 0.00 174.62 172.59 1sa1 s PHE 377 N -3.17 0.06 -0.18 9.09 5.36 -0.41 -0.72 117.98 128.01 1sa1 s PHE 377 Ca 0.10 0.08 -0.00 0.00 -0.96 0.00 0.00 56.93 56.15 1sa1 s PHE 377 Cb -0.01 -0.20 0.01 0.00 -0.34 0.00 0.00 43.02 42.48 1sa1 s PHE 377 CO -0.02 -0.07 -0.16 0.42 -1.46 0.00 0.00 175.22 173.93 1sa1 s ILE 378 N 0.79 2.50 -0.30 3.12 1.01 0.27 -2.36 121.20 126.23 1sa1 s ILE 378 Ca -0.07 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1sa1 s ILE 378 Cb -0.10 -2.07 0.10 0.00 0.01 0.00 0.00 42.46 40.40 1sa1 s ILE 378 CO -0.02 0.51 0.09 -0.83 0.00 0.00 0.00 174.94 174.69 1sa1 s GLY 379 N 1.14 1.06 -0.65 6.18 0.00 0.39 -1.16 107.32 114.29 1sa1 s GLY 379 Ca 0.01 -1.59 -0.23 0.00 0.00 0.00 0.00 44.72 42.90 1sa1 s GLY 379 CO -0.06 1.57 0.99 0.21 0.00 0.00 0.00 173.10 175.81 1sa1 s ASN 380 N 1.62 6.19 -0.03 1.64 3.04 -0.99 -0.69 114.94 125.73 1sa1 s ASN 380 Ca 0.08 -0.86 0.02 0.00 0.04 0.00 0.00 52.86 52.15 1sa1 s ASN 380 Cb -0.17 -2.43 0.01 0.00 -1.54 0.00 0.00 41.25 37.11 1sa1 s ASN 380 CO -0.23 -1.45 -0.08 -0.94 -3.04 0.00 0.00 177.10 171.36 1sa1 s SER 381 N 3.57 1.19 0.12 -4.21 1.04 -1.26 0.32 113.70 114.47 1sa1 s SER 381 Ca 0.24 -0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.55 1sa1 s SER 381 Cb -0.15 -0.39 0.33 0.00 0.10 0.00 0.00 66.02 65.90 1sa1 s SER 381 CO 0.12 0.04 1.08 0.35 0.98 0.00 0.00 173.24 175.81 1sa1 n THR 382 N 3.48 1.21 -0.17 2.02 -2.24 -0.35 -0.79 114.28 117.45 1sa1 n THR 382 Ca -0.20 0.59 0.05 0.00 -2.27 0.00 0.00 64.05 62.22 1sa1 n THR 382 Cb 0.53 -1.59 0.34 0.00 -2.10 0.00 0.00 70.33 67.51 1sa1 n THR 382 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sa1 h ALA 383 N 1.48 1.66 -0.64 6.98 0.00 -1.77 -2.65 119.26 124.31 1sa1 h ALA 383 Ca 0.00 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.07 1sa1 h ALA 383 Cb 0.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1sa1 h ALA 383 CO 0.00 0.26 0.49 0.97 0.00 0.00 0.00 179.25 180.97 1sa1 h ILE 384 N 0.79 0.59 -0.86 0.00 -0.00 -1.33 -1.33 117.51 115.36 1sa1 h ILE 384 Ca 0.29 0.00 0.20 0.00 -0.00 0.00 0.00 64.86 65.34 1sa1 h ILE 384 Cb 0.15 0.65 -0.12 0.00 -0.00 0.00 0.00 36.82 37.50 1sa1 h ILE 384 CO -0.09 0.00 0.37 -0.61 -0.00 0.00 0.00 178.15 177.82 1sa1 h GLN 385 N 0.00 0.41 -0.77 2.19 4.15 -1.70 -0.87 115.11 118.51 1sa1 h GLN 385 Ca 0.30 -0.02 0.23 0.00 0.77 0.00 0.00 58.65 59.93 1sa1 h GLN 385 Cb 1.29 -0.09 -0.14 0.00 0.21 0.00 0.00 27.48 28.74 1sa1 h GLN 385 CO -0.00 0.27 0.09 -1.91 -1.93 0.00 0.00 178.83 175.34 1sa1 n GLU 386 N -5.03 -0.06 -0.04 1.69 2.13 -0.50 0.46 120.64 119.29 1sa1 n GLU 386 Ca 0.20 1.14 -0.12 0.00 0.66 0.00 0.00 57.16 59.04 1sa1 n GLU 386 Cb 0.59 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.45 1sa1 n GLU 386 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1sa1 h LEU 387 N 0.00 0.82 -0.14 4.31 6.46 -1.35 -3.13 115.31 122.28 1sa1 h LEU 387 Ca 0.50 -0.44 -0.11 0.00 -0.12 0.00 0.00 57.88 57.71 1sa1 h LEU 387 Cb 1.10 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1sa1 h LEU 387 CO -0.70 1.20 -0.35 -0.26 -0.62 0.00 0.00 178.44 177.71 1sa1 h PHE 388 N 0.56 0.62 -0.95 1.25 -1.00 -0.05 -2.82 116.94 114.55 1sa1 h PHE 388 Ca 0.01 -0.24 0.24 0.00 2.81 0.00 0.00 57.97 60.79 1sa1 h PHE 388 Cb 1.14 -0.11 -0.06 0.00 3.61 0.00 0.00 35.95 40.53 1sa1 h PHE 388 CO 0.06 0.97 0.64 -0.22 -1.61 0.00 0.00 178.31 178.15 1sa1 h LYS 389 N 0.09 0.25 -0.00 1.51 3.64 -1.20 -0.55 116.57 120.31 1sa1 h LYS 389 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1sa1 h LYS 389 Cb 0.96 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1sa1 h LYS 389 CO 0.08 0.16 -0.02 0.07 -2.27 0.00 0.00 179.45 177.47 1sa1 h ARG 390 N 0.26 0.02 -0.34 1.90 0.11 -1.44 0.61 114.38 115.49 1sa1 h ARG 390 Ca 0.49 -0.02 0.02 0.00 0.10 0.00 0.00 59.98 60.57 1sa1 h ARG 390 Cb 1.47 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.53 1sa1 h ARG 390 CO -0.14 0.74 0.16 -0.84 0.10 0.00 0.00 179.97 180.00 1sa1 h ILE 391 N -0.70 0.98 -0.38 0.08 -0.00 -1.22 -0.93 117.51 115.35 1sa1 h ILE 391 Ca -0.00 -0.12 0.08 0.00 -0.00 0.00 0.00 64.86 64.82 1sa1 h ILE 391 Cb 0.75 0.61 -0.09 0.00 -0.00 0.00 0.00 36.82 38.09 1sa1 h ILE 391 CO 0.00 0.06 -0.29 -1.28 -0.00 0.00 0.00 178.15 176.65 1sa1 h SER 392 N 0.34 -0.95 -1.01 2.16 0.87 -1.10 0.12 113.55 113.98 1sa1 h SER 392 Ca 0.14 0.18 0.21 0.00 -1.23 0.00 0.00 61.79 61.09 1sa1 h SER 392 Cb 0.06 0.46 -0.11 0.00 -0.44 0.00 0.00 62.40 62.36 1sa1 h SER 392 CO -0.10 -0.30 0.61 -0.08 -0.53 0.00 0.00 176.83 176.43 1sa1 h GLU 393 N -0.23 0.67 -0.05 2.24 4.81 0.46 2.03 114.58 124.51 1sa1 h GLU 393 Ca 0.17 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 1sa1 h GLU 393 Cb 0.51 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.75 1sa1 h GLU 393 CO -0.51 0.44 -0.42 1.96 -0.73 0.00 0.00 179.01 179.76 1sa1 h GLN 394 N 0.69 0.37 0.46 1.92 4.20 -0.49 -3.15 115.11 119.12 1sa1 h GLN 394 Ca 0.61 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 1sa1 h GLN 394 Cb 1.03 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1sa1 h GLN 394 CO -0.42 0.99 -0.22 0.35 -0.67 0.00 0.00 178.83 178.86 1sa1 h PHE 395 N -0.13 -0.58 -1.50 2.96 3.57 0.86 -1.01 116.94 121.12 1sa1 h PHE 395 Ca -0.04 -0.01 0.48 0.00 3.53 0.00 0.00 57.97 61.92 1sa1 h PHE 395 Cb 1.09 0.19 -0.11 0.00 2.79 0.00 0.00 35.95 39.91 1sa1 h PHE 395 CO 0.14 -0.36 1.01 1.15 -2.23 0.00 0.00 178.31 178.01 1sa1 h THR 396 N -0.65 0.08 0.00 4.41 2.02 0.30 1.92 112.91 121.00 1sa1 h THR 396 Ca -0.06 -0.01 -0.14 0.00 0.77 0.00 0.00 66.41 66.96 1sa1 h THR 396 Cb 0.48 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1sa1 h THR 396 CO 0.10 0.01 -1.07 0.00 0.37 0.00 0.00 175.52 174.93 1sa1 h ALA 397 N 1.44 0.65 -0.64 6.16 0.00 -1.52 -3.16 119.26 122.19 1sa1 h ALA 397 Ca 0.85 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1sa1 h ALA 397 Cb 2.92 0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.85 1sa1 h ALA 397 CO -0.30 0.78 0.00 -1.33 0.00 0.00 0.00 179.25 178.39 1sa1 n MET 398 N -3.00 0.00 0.13 0.00 2.00 0.63 -3.97 117.12 112.91 1sa1 n MET 398 Ca -0.05 0.38 0.05 0.00 0.00 0.00 0.00 57.70 58.08 1sa1 n MET 398 Cb 0.79 -0.88 0.24 0.00 0.00 0.00 0.00 33.22 33.38 1sa1 n MET 398 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1sa1 n PHE 399 N -1.70 0.30 0.00 2.03 7.35 0.19 -2.81 117.46 122.81 1sa1 n PHE 399 Ca 0.00 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 1sa1 n PHE 399 Cb 0.00 -0.50 0.00 0.00 0.35 0.00 0.00 39.48 39.33 1sa1 n PHE 399 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1sa1 n ARG 400 N -1.86 0.00 -0.42 -4.13 0.63 -1.19 -1.76 116.66 107.93 1sa1 n ARG 400 Ca -0.01 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.88 1sa1 n ARG 400 Cb 0.37 -0.25 -0.06 0.00 0.45 0.00 0.00 32.46 32.96 1sa1 n ARG 400 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1sa1 n ARG 401 N 0.00 0.85 -2.69 -0.14 0.00 -1.20 -4.76 116.66 108.71 1sa1 n ARG 401 Ca 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 57.85 57.49 1sa1 n ARG 401 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 32.46 30.85 1sa1 n ARG 401 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1sa1 n LYS 402 N 2.49 -0.26 0.00 -0.14 2.85 -0.72 -4.91 118.16 117.47 1sa1 n LYS 402 Ca 0.15 -0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1sa1 n LYS 402 Cb 0.39 0.23 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 1sa1 n LYS 402 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1sa1 n ALA 403 N -0.58 0.00 0.00 0.58 0.00 -1.12 -3.96 120.51 115.42 1sa1 n ALA 403 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sa1 n ALA 403 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sa1 n ALA 403 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sa1 n PHE 404 N 0.00 0.00 -0.28 0.00 0.99 -1.26 -3.78 117.46 113.13 1sa1 n PHE 404 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.53 1sa1 n PHE 404 Cb 0.00 0.00 0.23 0.00 -1.00 0.00 0.00 39.48 38.71 1sa1 n PHE 404 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1sa1 h LEU 405 N 0.00 0.37 0.00 4.37 5.85 -1.96 -2.34 115.31 121.59 1sa1 h LEU 405 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1sa1 h LEU 405 Cb 0.00 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1sa1 h LEU 405 CO 0.00 0.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.22 1sa1 n HIS 406 N -4.97 0.00 0.45 1.25 1.44 -1.25 0.54 115.22 112.68 1sa1 n HIS 406 Ca 0.17 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.99 1sa1 n HIS 406 Cb 0.48 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.57 1sa1 n HIS 406 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 1sa1 n TRP 407 N -0.39 0.28 -0.06 -1.40 7.02 -0.88 -3.66 117.44 118.35 1sa1 n TRP 407 Ca 0.00 0.08 -0.08 0.00 -1.02 0.00 0.00 57.50 56.48 1sa1 n TRP 407 Cb 0.00 -0.48 -0.07 0.00 -2.42 0.00 0.00 31.31 28.35 1sa1 n TRP 407 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1sa1 n TYR 408 N -2.06 0.00 -0.35 -5.99 4.02 0.19 -4.27 117.16 108.70 1sa1 n TYR 408 Ca 0.01 0.00 0.31 0.00 -0.01 0.00 0.00 57.90 58.21 1sa1 n TYR 408 Cb 0.46 -0.50 0.58 0.00 -0.02 0.00 0.00 39.34 39.86 1sa1 n TYR 408 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1sa1 h THR 409 N 0.00 0.08 -0.30 -0.72 2.02 -1.64 0.16 112.91 112.50 1sa1 h THR 409 Ca -0.29 -0.03 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 1sa1 h THR 409 Cb 1.51 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1sa1 h THR 409 CO -0.03 0.01 -0.26 1.23 0.37 0.00 0.00 175.52 176.85 1sa1 h GLY 410 N 0.08 0.76 1.44 2.16 0.00 -1.76 -2.85 103.07 102.90 1sa1 h GLY 410 Ca 0.83 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1sa1 h GLY 410 CO -0.68 0.68 0.00 1.18 0.00 0.00 0.00 176.54 177.73 1sa1 n GLU 411 N -4.29 0.42 0.00 4.80 -0.58 0.45 -4.84 120.64 116.61 1sa1 n GLU 411 Ca -0.04 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1sa1 n GLU 411 Cb 0.45 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1sa1 n GLU 411 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sa1 n GLY 412 N 0.63 0.84 3.78 0.62 0.00 -0.64 -4.81 105.19 105.61 1sa1 n GLY 412 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1sa1 n GLY 412 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sa1 s MET 413 N 0.31 2.24 -0.09 1.61 -1.94 -1.18 -5.04 119.30 115.21 1sa1 s MET 413 Ca 0.00 -1.95 -0.03 0.00 -1.71 0.00 0.00 55.69 52.00 1sa1 s MET 413 Cb 0.00 -1.96 -0.03 0.00 2.01 0.00 0.00 34.83 34.85 1sa1 s MET 413 CO 0.00 -0.26 0.03 0.34 -0.01 0.00 0.00 175.02 175.11 1sa1 s ASP 414 N -3.99 5.45 0.10 3.03 -1.08 -1.26 -4.65 116.67 114.26 1sa1 s ASP 414 Ca 0.35 0.20 -0.27 0.00 -0.52 0.00 0.00 52.55 52.31 1sa1 s ASP 414 Cb 0.02 -1.58 -0.10 0.00 -1.46 0.00 0.00 42.92 39.81 1sa1 s ASP 414 CO 0.20 0.38 1.44 -0.08 0.52 0.00 0.00 175.17 177.62 1sa1 h GLU 415 N 5.10 -0.38 -0.30 4.34 4.81 -2.00 -1.24 114.58 124.91 1sa1 h GLU 415 Ca -0.52 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 58.83 1sa1 h GLU 415 Cb 1.20 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1sa1 h GLU 415 CO 0.55 -0.26 0.53 0.00 -0.73 0.00 0.00 179.01 179.10 1sa1 h MET 416 N -0.40 0.00 -0.16 1.92 -0.00 -2.00 -0.41 114.93 113.88 1sa1 h MET 416 Ca 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.64 1sa1 h MET 416 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.10 1sa1 h MET 416 CO -0.40 0.00 -0.33 1.49 -0.00 0.00 0.00 176.91 177.67 1sa1 h GLU 417 N 0.00 0.32 0.47 -0.10 4.81 -1.63 -0.09 114.58 118.36 1sa1 h GLU 417 Ca 0.14 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1sa1 h GLU 417 Cb 1.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1sa1 h GLU 417 CO -0.00 0.62 -0.23 0.74 -0.73 0.00 0.00 179.01 179.41 1sa1 h PHE 418 N 0.28 -0.58 -0.99 0.92 -1.00 -1.08 -2.76 116.94 111.73 1sa1 h PHE 418 Ca 0.04 -0.01 0.20 0.00 2.81 0.00 0.00 57.97 61.01 1sa1 h PHE 418 Cb 0.72 0.19 -0.11 0.00 3.61 0.00 0.00 35.95 40.36 1sa1 h PHE 418 CO 0.02 -0.26 0.59 1.15 -1.61 0.00 0.00 178.31 178.19 1sa1 h THR 419 N -1.00 0.65 0.00 -1.55 2.02 -1.53 0.58 112.91 112.08 1sa1 h THR 419 Ca -0.06 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1sa1 h THR 419 Cb 0.58 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1sa1 h THR 419 CO 0.11 0.13 -0.05 -0.08 0.37 0.00 0.00 175.52 175.99 1sa1 h GLU 420 N 0.70 0.00 0.03 6.66 4.81 -1.02 0.35 114.58 126.10 1sa1 h GLU 420 Ca 0.59 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.47 1sa1 h GLU 420 Cb 0.98 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.31 1sa1 h GLU 420 CO -0.41 0.05 -2.12 0.00 -0.73 0.00 0.00 179.01 175.80 1sa1 n ALA 421 N -2.13 1.36 0.24 2.92 0.00 0.62 -3.75 120.51 119.76 1sa1 n ALA 421 Ca -0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 53.44 52.32 1sa1 n ALA 421 Cb 0.30 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 1sa1 n ALA 421 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1sa1 h GLU 422 N 0.02 -0.55 -0.23 0.00 4.81 0.51 -2.62 114.58 116.52 1sa1 h GLU 422 Ca -0.45 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1sa1 h GLU 422 Cb 2.06 0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.57 1sa1 h GLU 422 CO 0.03 -0.35 0.00 0.43 -0.73 0.00 0.00 179.01 178.40 1sa1 n SER 423 N -5.32 0.41 -0.06 1.04 7.64 0.12 -1.14 113.62 116.30 1sa1 n SER 423 Ca -0.11 -2.01 -0.03 0.00 1.01 0.00 0.00 58.87 57.73 1sa1 n SER 423 Cb 0.25 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.31 1sa1 n SER 423 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1sa1 h ASN 424 N 0.21 0.00 -0.25 6.43 -0.73 -1.56 -3.28 115.58 116.40 1sa1 h ASN 424 Ca 0.00 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.19 1sa1 h ASN 424 Cb 0.16 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.72 1sa1 h ASN 424 CO 0.01 0.65 -0.15 0.23 -0.37 0.00 0.00 177.43 177.80 1sa1 n MET 425 N -4.68 -0.11 0.00 6.67 2.81 -1.07 -0.97 117.12 119.77 1sa1 n MET 425 Ca -0.04 1.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.89 1sa1 n MET 425 Cb 0.16 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 1sa1 n MET 425 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1sa1 n ASN 426 N -3.52 0.00 -0.06 7.83 4.13 -0.30 0.89 115.26 124.24 1sa1 n ASN 426 Ca 0.01 0.41 -0.02 0.00 1.68 0.00 0.00 54.58 56.65 1sa1 n ASN 426 Cb 0.07 -0.41 -0.02 0.00 -1.54 0.00 0.00 39.78 37.88 1sa1 n ASN 426 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1sa1 h ASP 427 N 0.00 0.00 -1.00 6.41 3.45 -1.12 -3.30 116.42 120.87 1sa1 h ASP 427 Ca 0.00 -0.09 0.15 0.00 0.43 0.00 0.00 57.03 57.51 1sa1 h ASP 427 Cb 0.06 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 38.67 1sa1 h ASP 427 CO 0.00 0.60 -0.41 0.25 -1.57 0.00 0.00 179.24 178.10 1sa1 h LEU 428 N -1.00 -1.53 -0.67 1.55 5.85 0.19 1.38 115.31 121.09 1sa1 h LEU 428 Ca -0.01 0.31 0.06 0.00 0.84 0.00 0.00 57.88 59.09 1sa1 h LEU 428 Cb 0.18 0.78 -0.09 0.00 0.37 0.00 0.00 40.66 41.91 1sa1 h LEU 428 CO -0.00 -0.28 -0.46 0.58 -0.34 0.00 0.00 178.44 177.93 1sa1 h VAL 429 N -0.00 0.00 0.00 1.05 2.07 -1.56 -1.26 116.25 116.55 1sa1 h VAL 429 Ca 0.32 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.84 1sa1 h VAL 429 Cb 0.58 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1sa1 h VAL 429 CO -0.98 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 175.41 1sa1 n SER 430 N -4.79 0.28 -0.03 0.57 7.64 0.46 -0.56 113.62 117.20 1sa1 n SER 430 Ca 0.00 -1.10 -0.06 0.00 1.01 0.00 0.00 58.87 58.73 1sa1 n SER 430 Cb 0.22 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 1sa1 n SER 430 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sa1 n GLU 431 N -0.12 0.16 0.04 1.43 1.02 -0.55 -4.07 120.64 118.54 1sa1 n GLU 431 Ca 0.00 0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 57.08 1sa1 n GLU 431 Cb 0.07 -0.98 -0.05 0.00 -0.02 0.00 0.00 31.44 30.46 1sa1 n GLU 431 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1sa1 h TYR 432 N -0.11 -0.17 -0.47 -0.32 -1.99 -0.52 -0.07 116.97 113.33 1sa1 h TYR 432 Ca -0.16 0.01 0.13 0.00 2.00 0.00 0.00 58.73 60.71 1sa1 h TYR 432 Cb 1.20 0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.99 1sa1 h TYR 432 CO -0.01 -0.11 0.33 0.37 -0.00 0.00 0.00 178.16 178.75 1sa1 h GLN 433 N -0.11 0.03 0.00 4.88 5.75 -1.08 -1.31 115.11 123.27 1sa1 h GLN 433 Ca 0.04 -0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.42 1sa1 h GLN 433 Cb 0.15 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1sa1 h GLN 433 CO -0.09 0.02 -0.55 0.37 -2.65 0.00 0.00 178.83 175.92 1sa1 h GLN 434 N 0.03 0.00 -0.76 1.69 4.15 -1.20 -3.18 115.11 115.84 1sa1 h GLN 434 Ca 0.22 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.54 1sa1 h GLN 434 Cb 0.86 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.48 1sa1 h GLN 434 CO -0.01 0.55 0.13 0.66 -1.93 0.00 0.00 178.83 178.24 1sa1 n TYR 435 N -3.49 1.86 -2.65 3.99 4.02 -0.50 -4.19 117.16 116.20 1sa1 n TYR 435 Ca 0.00 -0.83 -0.42 0.00 -0.01 0.00 0.00 57.90 56.64 1sa1 n TYR 435 Cb 0.65 -0.53 0.01 0.00 -0.02 0.00 0.00 39.34 39.45 1sa1 n TYR 435 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1sa1 n GLN 436 N 0.16 4.46 0.00 -0.72 6.02 -1.20 -4.88 117.38 121.22 1sa1 n GLN 436 Ca 0.29 -4.19 0.00 0.00 -0.01 0.00 0.00 57.00 53.08 1sa1 n GLN 436 Cb 1.11 -2.62 0.00 0.00 1.02 0.00 0.00 30.24 29.75 1sa1 n GLN 436 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1sa1 n ASP 437 N 1.76 0.00 0.00 1.08 10.43 -1.26 -5.14 116.55 123.42 1sa1 n ASP 437 Ca 0.37 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.73 1sa1 n ASP 437 Cb 0.32 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.28 1sa1 n ASP 437 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13