#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi6 s SER 63 N 0.00 5.85 -1.41 1.61 0.01 -1.26 -4.58 113.70 113.93 1wi6 s SER 63 Ca 0.00 -2.01 -0.09 0.00 1.31 0.00 0.00 55.95 55.15 1wi6 s SER 63 Cb 0.00 -2.06 0.04 0.00 0.21 0.00 0.00 66.02 64.21 1wi6 s SER 63 CO 0.00 -0.70 1.05 -0.24 0.41 0.00 0.00 173.24 173.77 1wi6 n SER 64 N 4.81 -4.94 -3.19 2.44 2.88 -1.26 -4.97 113.62 109.40 1wi6 n SER 64 Ca -0.06 -0.66 0.01 0.00 -1.33 0.00 0.00 58.87 56.82 1wi6 n SER 64 Cb 0.41 -4.52 -0.01 0.00 -0.75 0.00 0.00 64.21 59.33 1wi6 n SER 64 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wi6 s GLY 65 N -3.50 -1.08 0.32 0.46 0.00 -1.26 -5.14 107.32 97.11 1wi6 s GLY 65 Ca 0.51 0.96 -0.01 0.00 0.00 0.00 0.00 44.72 46.18 1wi6 s GLY 65 CO 0.78 3.51 0.54 -0.56 0.00 0.00 0.00 173.10 177.36 1wi6 s SER 66 N 2.77 6.35 -1.00 1.64 0.01 -1.26 -4.82 113.70 117.38 1wi6 s SER 66 Ca 0.11 0.54 -0.04 0.00 1.31 0.00 0.00 55.95 57.87 1wi6 s SER 66 Cb -0.11 -2.07 0.27 0.00 0.21 0.00 0.00 66.02 64.32 1wi6 s SER 66 CO -0.26 -0.25 1.10 -1.20 0.41 0.00 0.00 173.24 173.04 1wi6 n SER 67 N -1.43 5.25 -4.30 2.44 7.64 -1.26 -4.82 113.62 117.15 1wi6 n SER 67 Ca -0.04 -3.22 -0.16 0.00 1.01 0.00 0.00 58.87 56.46 1wi6 n SER 67 Cb 0.55 -1.18 -0.10 0.00 -1.01 0.00 0.00 64.21 62.47 1wi6 n SER 67 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wi6 s GLY 68 N -0.42 1.52 0.12 0.23 0.00 -1.26 -2.25 107.32 105.26 1wi6 s GLY 68 Ca 0.31 -1.75 0.03 0.00 0.00 0.00 0.00 44.72 43.31 1wi6 s GLY 68 CO -0.03 -1.60 -0.08 -0.26 0.00 0.00 0.00 173.10 171.13 1wi6 s ILE 69 N -3.59 0.88 -0.04 0.90 -5.25 -1.04 -2.70 121.20 110.35 1wi6 s ILE 69 Ca 0.30 -1.98 -0.00 0.00 -0.99 0.00 0.00 60.65 57.97 1wi6 s ILE 69 Cb 0.07 -1.75 0.03 0.00 2.95 0.00 0.00 42.46 43.75 1wi6 s ILE 69 CO 0.09 -0.82 0.01 -0.22 -1.79 0.00 0.00 174.94 172.20 1wi6 s LEU 70 N -3.09 0.85 -0.01 0.37 2.96 0.07 -3.77 118.68 116.06 1wi6 s LEU 70 Ca 0.14 -0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 1wi6 s LEU 70 Cb 0.04 -0.28 -0.03 0.00 0.50 0.00 0.00 46.19 46.42 1wi6 s LEU 70 CO -0.03 -0.15 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.08 1wi6 s ILE 71 N 1.46 3.00 -0.04 6.68 1.01 -1.01 -2.19 121.20 130.11 1wi6 s ILE 71 Ca -0.03 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1wi6 s ILE 71 Cb -0.13 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.14 1wi6 s ILE 71 CO -0.03 0.47 -0.06 -0.13 0.00 0.00 0.00 174.94 175.20 1wi6 s ARG 72 N -1.07 0.85 0.00 2.79 0.52 -0.64 -3.12 118.95 118.28 1wi6 s ARG 72 Ca 0.13 -0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.18 1wi6 s ARG 72 Cb -0.11 -0.83 0.00 0.00 0.52 0.00 0.00 34.95 34.54 1wi6 s ARG 72 CO 0.03 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1wi6 n GLY 73 N 3.76 0.46 3.86 -3.53 0.00 -1.09 -2.81 105.19 105.85 1wi6 n GLY 73 Ca -0.23 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 1wi6 n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wi6 s LEU 74 N -0.79 4.11 1.16 0.99 1.43 -1.04 -4.85 118.68 119.69 1wi6 s LEU 74 Ca 0.00 0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 53.03 1wi6 s LEU 74 Cb 0.00 -2.73 0.27 0.00 0.03 0.00 0.00 46.19 43.76 1wi6 s LEU 74 CO 0.00 0.13 1.11 -2.16 0.23 0.00 0.00 176.35 175.66 1wi6 s PRO 75 N -2.72 -0.92 0.35 1.29 0.04 -1.26 -4.94 135.00 126.84 1wi6 s PRO 75 Ca 0.33 0.05 0.25 0.00 0.04 0.00 0.00 61.00 61.66 1wi6 s PRO 75 Cb -0.12 -1.62 0.64 0.00 0.04 0.00 0.00 34.50 33.44 1wi6 s PRO 75 CO 0.26 -3.53 1.71 0.78 0.04 0.00 0.00 177.00 176.25 1wi6 h GLY 76 N -2.45 0.00 -2.31 0.56 0.00 -2.00 -3.09 103.07 93.77 1wi6 h GLY 76 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1wi6 h GLY 76 CO 0.39 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.27 1wi6 n ASP 77 N -2.72 3.65 -4.59 0.19 2.03 -1.26 -4.95 116.55 108.89 1wi6 n ASP 77 Ca 0.04 -1.99 -0.42 0.00 0.52 0.00 0.00 54.79 52.94 1wi6 n ASP 77 Cb 0.46 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 40.43 1wi6 n ASP 77 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1wi6 n VAL 78 N 1.37 0.28 -4.60 5.18 3.14 -1.17 -4.95 118.33 117.59 1wi6 n VAL 78 Ca 0.21 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.81 1wi6 n VAL 78 Cb 0.57 -2.57 -0.11 0.00 -1.06 0.00 0.00 33.84 30.67 1wi6 n VAL 78 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1wi6 s THR 79 N 8.84 2.07 0.44 1.55 -1.32 -1.26 -4.91 115.64 121.05 1wi6 s THR 79 Ca 1.01 -2.05 0.17 0.00 -1.21 0.00 0.00 61.69 59.61 1wi6 s THR 79 Cb -0.33 -2.91 0.36 0.00 -1.51 0.00 0.00 72.50 68.11 1wi6 s THR 79 CO 0.34 -0.05 1.92 -1.13 -2.21 0.00 0.00 174.62 173.50 1wi6 h ASN 80 N 1.83 0.34 -0.92 8.08 -1.24 -1.96 0.03 115.58 121.75 1wi6 h ASN 80 Ca -0.43 0.02 0.03 0.00 0.71 0.00 0.00 56.30 56.62 1wi6 h ASN 80 Cb 1.24 -0.05 -0.05 0.00 0.73 0.00 0.00 38.32 40.19 1wi6 h ASN 80 CO 0.78 0.17 0.60 -0.61 -1.29 0.00 0.00 177.43 177.09 1wi6 h GLN 81 N 0.36 1.14 -0.38 6.67 5.75 -1.97 0.20 115.11 126.88 1wi6 h GLN 81 Ca 0.36 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.77 1wi6 h GLN 81 Cb 0.90 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 1wi6 h GLN 81 CO -0.11 0.75 0.12 1.49 -2.65 0.00 0.00 178.83 178.44 1wi6 h GLU 82 N 1.17 0.59 -0.34 1.69 4.57 -1.36 0.51 114.58 121.41 1wi6 h GLU 82 Ca 0.36 -0.12 -0.16 0.00 -1.18 0.00 0.00 59.36 58.25 1wi6 h GLU 82 Cb -0.03 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1wi6 h GLU 82 CO -0.10 0.59 -0.42 0.28 -1.18 0.00 0.00 179.01 178.18 1wi6 h VAL 83 N 0.47 1.28 -0.21 0.32 2.07 -1.32 -1.62 116.25 117.23 1wi6 h VAL 83 Ca 0.12 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 1wi6 h VAL 83 Cb 0.25 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1wi6 h VAL 83 CO -0.00 0.53 0.01 0.45 0.02 0.00 0.00 177.57 178.58 1wi6 h HIS 84 N 0.68 0.39 -0.64 1.57 3.86 -0.49 -2.58 115.15 117.94 1wi6 h HIS 84 Ca 0.05 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1wi6 h HIS 84 Cb 1.00 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.33 1wi6 h HIS 84 CO 0.06 0.53 0.13 0.22 0.86 0.00 0.00 177.93 179.73 1wi6 h ASP 85 N 0.14 0.98 -0.89 2.45 3.58 -0.90 0.95 116.42 122.72 1wi6 h ASP 85 Ca 0.06 -0.21 0.03 0.00 0.42 0.00 0.00 57.03 57.33 1wi6 h ASP 85 Cb 0.36 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.11 1wi6 h ASP 85 CO 0.01 0.96 0.59 0.25 -2.88 0.00 0.00 179.24 178.17 1wi6 h LEU 86 N 0.98 0.97 -3.54 2.28 5.85 -1.18 -2.48 115.31 118.19 1wi6 h LEU 86 Ca 0.20 -0.01 -0.35 0.00 0.84 0.00 0.00 57.88 58.56 1wi6 h LEU 86 Cb 0.39 -0.23 -0.23 0.00 0.37 0.00 0.00 40.66 40.96 1wi6 h LEU 86 CO 0.01 0.68 -0.23 0.18 -0.34 0.00 0.00 178.44 178.74 1wi6 n LEU 87 N -4.44 4.75 -0.13 2.25 4.77 -0.98 -4.67 117.00 118.55 1wi6 n LEU 87 Ca 0.12 -4.18 0.00 0.00 -0.03 0.00 0.00 56.01 51.92 1wi6 n LEU 87 Cb 0.09 -0.58 0.01 0.00 -2.33 0.00 0.00 43.42 40.61 1wi6 n LEU 87 CO 0.35 1.58 0.46 -1.20 -1.33 0.00 0.00 177.39 177.26 1wi6 n SER 88 N -0.97 0.31 -0.01 -1.43 7.64 0.30 -2.95 113.62 116.51 1wi6 n SER 88 Ca 0.40 -2.01 0.05 0.00 1.01 0.00 0.00 58.87 58.32 1wi6 n SER 88 Cb 0.94 -0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.93 1wi6 n SER 88 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wi6 n ASP 89 N -0.35 2.09 -4.80 6.43 8.00 -1.26 -5.02 116.55 121.63 1wi6 n ASP 89 Ca 0.01 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 1wi6 n ASP 89 Cb 0.07 1.48 -0.05 0.00 -0.02 0.00 0.00 41.12 42.59 1wi6 n ASP 89 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wi6 s TYR 90 N -2.81 2.57 -0.52 1.24 1.51 -1.15 -5.07 117.35 113.12 1wi6 s TYR 90 Ca -0.05 -0.57 -0.28 0.00 -1.01 0.00 0.00 57.07 55.15 1wi6 s TYR 90 Cb 0.08 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1wi6 s TYR 90 CO 0.52 0.03 1.32 -1.21 -1.11 0.00 0.00 175.55 175.10 1wi6 s GLU 91 N -4.01 3.48 -0.88 -0.62 2.02 -1.26 -4.96 118.70 112.46 1wi6 s GLU 91 Ca 0.43 0.54 -0.22 0.00 0.02 0.00 0.00 54.97 55.74 1wi6 s GLU 91 Cb 0.01 -4.04 0.08 0.00 0.10 0.00 0.00 34.13 30.27 1wi6 s GLU 91 CO 0.24 -1.71 1.23 -0.51 0.02 0.00 0.00 175.26 174.53 1wi6 s LEU 92 N 5.43 4.13 0.12 1.80 1.43 -1.26 -3.46 118.68 126.87 1wi6 s LEU 92 Ca 0.52 -1.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.07 1wi6 s LEU 92 Cb -0.10 -2.48 -0.06 0.00 0.03 0.00 0.00 46.19 43.57 1wi6 s LEU 92 CO 0.28 -1.40 1.46 0.11 0.23 0.00 0.00 176.35 177.03 1wi6 h LYS 93 N 9.48 0.79 -3.30 1.70 1.79 -1.81 -3.44 116.57 121.77 1wi6 h LYS 93 Ca 0.02 -0.40 -0.23 0.00 -2.18 0.00 0.00 60.65 57.87 1wi6 h LYS 93 Cb 1.03 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.38 1wi6 h LYS 93 CO 1.26 1.02 -0.59 -0.47 -1.08 0.00 0.00 179.45 179.59 1wi6 s TYR 94 N -4.45 -0.16 -0.10 -1.35 5.04 -1.00 -5.02 117.35 110.30 1wi6 s TYR 94 Ca -0.12 0.44 0.03 0.00 -2.44 0.00 0.00 57.07 54.99 1wi6 s TYR 94 Cb 0.10 -0.05 -0.00 0.00 0.35 0.00 0.00 41.96 42.36 1wi6 s TYR 94 CO 0.84 -0.14 -0.22 0.00 -1.34 0.00 0.00 175.55 174.69 1wi6 s PHE 96 N 0.34 -0.06 -0.09 0.00 5.36 -0.92 -5.04 117.98 117.56 1wi6 s PHE 96 Ca -0.18 0.24 -0.02 0.00 -0.96 0.00 0.00 56.93 56.02 1wi6 s PHE 96 Cb -0.18 -0.09 0.03 0.00 -0.34 0.00 0.00 43.02 42.45 1wi6 s PHE 96 CO 0.08 -0.09 0.01 0.08 -1.46 0.00 0.00 175.22 173.84 1wi6 s VAL 97 N 0.66 0.41 -0.36 3.12 1.01 -1.26 -2.38 120.40 121.60 1wi6 s VAL 97 Ca -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1wi6 s VAL 97 Cb -0.07 -0.62 0.09 0.00 0.00 0.00 0.00 36.38 35.78 1wi6 s VAL 97 CO -0.03 0.19 0.10 -0.62 0.00 0.00 0.00 175.10 174.75 1wi6 s ASP 98 N 1.95 5.01 0.02 3.32 -1.08 -0.69 -4.96 116.67 120.24 1wi6 s ASP 98 Ca 0.04 -1.86 -0.20 0.00 -0.52 0.00 0.00 52.55 50.02 1wi6 s ASP 98 Cb -0.13 -1.74 -0.19 0.00 -1.46 0.00 0.00 42.92 39.40 1wi6 s ASP 98 CO -0.06 -0.42 1.19 0.07 0.52 0.00 0.00 175.17 176.48 1wi6 h LYS 99 N 7.91 0.42 -0.14 4.34 2.10 -1.91 -1.44 116.57 127.85 1wi6 h LYS 99 Ca -0.13 -0.35 0.01 0.00 -2.00 0.00 0.00 60.65 58.18 1wi6 h LYS 99 Cb 1.04 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 32.43 1wi6 h LYS 99 CO 0.60 0.99 -0.08 0.66 -2.00 0.00 0.00 179.45 179.62 1wi6 n TYR 100 N -4.32 -0.06 -0.00 0.07 4.01 -1.26 -0.35 117.16 115.25 1wi6 n TYR 100 Ca -0.08 0.17 -0.06 0.00 -0.16 0.00 0.00 57.90 57.77 1wi6 n TYR 100 Cb 0.56 -0.43 0.13 0.00 -0.31 0.00 0.00 39.34 39.29 1wi6 n TYR 100 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1wi6 h LYS 101 N 0.00 0.54 0.00 -0.72 1.79 -2.01 -3.47 116.57 112.69 1wi6 h LYS 101 Ca 0.02 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1wi6 h LYS 101 Cb 0.06 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1wi6 h LYS 101 CO -0.13 0.82 0.00 0.41 -1.08 0.00 0.00 179.45 179.47 1wi6 n GLY 102 N -0.13 1.77 3.36 3.86 0.00 0.53 -4.93 105.19 109.64 1wi6 n GLY 102 Ca -0.01 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 1wi6 n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wi6 s THR 103 N -2.00 1.18 -0.02 2.61 -4.23 -0.59 -2.51 115.64 110.07 1wi6 s THR 103 Ca 0.00 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1wi6 s THR 103 Cb 0.00 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.47 1wi6 s THR 103 CO 0.00 -0.29 0.01 0.00 -0.54 0.00 0.00 174.62 173.80 1wi6 s ALA 104 N -3.32 0.20 -0.16 3.99 0.00 -1.18 -1.70 121.76 119.58 1wi6 s ALA 104 Ca 0.29 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1wi6 s ALA 104 Cb 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1wi6 s ALA 104 CO 0.10 -0.08 -0.16 -0.06 0.00 0.00 0.00 175.76 175.56 1wi6 s PHE 105 N 1.00 2.78 -0.05 0.00 0.08 -1.00 -2.42 117.98 118.36 1wi6 s PHE 105 Ca -0.09 -1.12 0.03 0.00 0.12 0.00 0.00 56.93 55.87 1wi6 s PHE 105 Cb -0.13 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 1wi6 s PHE 105 CO -0.02 -0.52 -0.12 0.08 -0.10 0.00 0.00 175.22 174.53 1wi6 s VAL 106 N 0.90 1.11 -0.34 -0.44 1.01 -1.25 -2.17 120.40 119.22 1wi6 s VAL 106 Ca -0.04 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1wi6 s VAL 106 Cb -0.15 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1wi6 s VAL 106 CO -0.02 0.34 0.18 -0.89 0.00 0.00 0.00 175.10 174.72 1wi6 s THR 107 N 0.49 4.61 0.80 3.92 2.01 -0.84 -2.49 115.64 124.14 1wi6 s THR 107 Ca -0.11 -0.63 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 1wi6 s THR 107 Cb -0.14 -3.46 0.17 0.00 0.01 0.00 0.00 72.50 69.09 1wi6 s THR 107 CO 0.03 -0.08 1.09 0.18 -0.69 0.00 0.00 174.62 175.14 1wi6 n LEU 108 N 4.99 0.00 0.00 4.42 4.77 -0.95 -2.38 117.00 127.85 1wi6 n LEU 108 Ca -0.13 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 1wi6 n LEU 108 Cb 0.48 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1wi6 n LEU 108 CO 0.35 -1.18 0.40 -0.11 -1.33 0.00 0.00 177.39 175.53 1wi6 n LEU 109 N 0.00 0.06 -4.77 2.23 7.94 -1.22 -4.75 117.00 116.49 1wi6 n LEU 109 Ca 0.15 0.85 -0.33 0.00 -1.11 0.00 0.00 56.01 55.57 1wi6 n LEU 109 Cb 0.54 -0.41 -0.07 0.00 0.53 0.00 0.00 43.42 44.00 1wi6 n LEU 109 CO 0.38 -0.41 -0.25 0.54 -1.11 0.00 0.00 177.39 176.53 1wi6 s ASN 110 N -2.08 4.11 0.51 1.96 4.22 -1.26 -4.85 114.94 117.55 1wi6 s ASN 110 Ca 0.00 -1.68 0.29 0.00 -2.14 0.00 0.00 52.86 49.32 1wi6 s ASN 110 Cb 0.00 0.61 1.31 0.00 1.28 0.00 0.00 41.25 44.45 1wi6 s ASN 110 CO 0.00 -0.89 1.99 1.23 -2.04 0.00 0.00 177.10 177.38 1wi6 h GLY 111 N 1.33 0.00 0.80 0.45 0.00 -1.90 -3.04 103.07 100.70 1wi6 h GLY 111 Ca -0.44 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1wi6 h GLY 111 CO 0.73 0.00 0.08 0.83 0.00 0.00 0.00 176.54 178.18 1wi6 h GLU 112 N 0.00 0.18 -0.13 4.80 3.07 -1.98 0.10 114.58 120.63 1wi6 h GLU 112 Ca -0.00 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.71 1wi6 h GLU 112 Cb 0.50 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1wi6 h GLU 112 CO 0.02 0.12 -0.53 1.96 -1.40 0.00 0.00 179.01 179.17 1wi6 h GLN 113 N 0.19 0.37 -0.27 2.33 4.20 -1.96 -2.56 115.11 117.42 1wi6 h GLN 113 Ca 0.10 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1wi6 h GLN 113 Cb 0.07 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1wi6 h GLN 113 CO -0.11 0.81 0.05 0.00 -0.67 0.00 0.00 178.83 178.92 1wi6 h ALA 114 N 1.14 0.36 -0.28 3.87 0.00 -1.34 -0.92 119.26 122.09 1wi6 h ALA 114 Ca 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1wi6 h ALA 114 Cb 1.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1wi6 h ALA 114 CO 0.09 0.03 0.11 1.49 0.00 0.00 0.00 179.25 180.97 1wi6 h GLU 115 N 0.26 0.43 -0.75 0.00 4.81 -0.79 0.11 114.58 118.66 1wi6 h GLU 115 Ca 0.08 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wi6 h GLU 115 Cb 0.32 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1wi6 h GLU 115 CO 0.00 0.47 0.46 0.00 -0.73 0.00 0.00 179.01 179.21 1wi6 h ALA 116 N 0.94 0.96 -0.25 2.92 0.00 -1.41 0.30 119.26 122.72 1wi6 h ALA 116 Ca 0.09 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1wi6 h ALA 116 Cb 0.20 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1wi6 h ALA 116 CO -0.01 0.42 -0.20 0.00 0.00 0.00 0.00 179.25 179.47 1wi6 h ALA 117 N 1.25 0.36 -0.59 0.00 0.00 -0.99 -2.93 119.26 116.36 1wi6 h ALA 117 Ca 0.27 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1wi6 h ALA 117 Cb -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1wi6 h ALA 117 CO -0.05 0.30 -0.03 0.82 0.00 0.00 0.00 179.25 180.28 1wi6 h ILE 118 N 0.29 1.27 -0.40 0.00 2.04 -0.54 0.31 117.51 120.48 1wi6 h ILE 118 Ca 0.05 -1.19 0.06 0.00 1.00 0.00 0.00 64.86 64.78 1wi6 h ILE 118 Cb 0.74 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.62 1wi6 h ILE 118 CO 0.05 0.43 0.09 -1.13 0.00 0.00 0.00 178.15 177.59 1wi6 h ASN 119 N 0.95 0.04 0.01 1.72 -0.73 -0.39 0.78 115.58 117.97 1wi6 h ASN 119 Ca 0.16 0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.36 1wi6 h ASN 119 Cb 0.60 0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.27 1wi6 h ASN 119 CO 0.04 0.06 -0.13 0.74 -0.37 0.00 0.00 177.43 177.76 1wi6 h THR 120 N 0.23 1.68 -0.08 -3.57 2.02 -1.43 -3.28 112.91 108.48 1wi6 h THR 120 Ca 0.19 -2.18 0.02 0.00 0.77 0.00 0.00 66.41 65.22 1wi6 h THR 120 Cb 0.22 3.14 -0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1wi6 h THR 120 CO -0.24 0.58 0.06 -0.26 0.37 0.00 0.00 175.52 176.03 1wi6 h PHE 121 N -0.79 0.00 -4.25 3.16 0.04 -0.29 -3.41 116.94 111.40 1wi6 h PHE 121 Ca -0.02 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.24 1wi6 h PHE 121 Cb 1.02 0.00 0.13 0.00 2.20 0.00 0.00 35.95 39.30 1wi6 h PHE 121 CO 0.24 0.00 0.30 -1.58 -0.60 0.00 0.00 178.31 176.67 1wi6 s HIS 122 N -4.99 2.54 -0.52 -0.55 5.65 0.27 -3.18 115.29 114.50 1wi6 s HIS 122 Ca -0.05 1.45 0.00 0.00 0.25 0.00 0.00 55.06 56.71 1wi6 s HIS 122 Cb 0.17 -3.07 0.00 0.00 -1.18 0.00 0.00 32.58 28.50 1wi6 s HIS 122 CO 0.66 -1.93 0.00 0.00 -0.65 0.00 0.00 174.74 172.81 1wi6 n GLN 123 N -3.60 -2.36 -2.93 2.88 10.64 -1.26 -4.90 117.38 115.85 1wi6 n GLN 123 Ca 0.08 0.30 -0.18 0.00 -1.83 0.00 0.00 57.00 55.37 1wi6 n GLN 123 Cb 0.54 -4.76 0.02 0.00 -0.86 0.00 0.00 30.24 25.18 1wi6 n GLN 123 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1wi6 s SER 124 N -1.92 5.49 0.02 2.61 1.04 -1.19 -4.99 113.70 114.76 1wi6 s SER 124 Ca 0.00 -0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.00 1wi6 s SER 124 Cb 0.00 -0.58 -0.01 0.00 0.10 0.00 0.00 66.02 65.53 1wi6 s SER 124 CO 0.00 -0.93 0.07 -0.13 0.98 0.00 0.00 173.24 173.23 1wi6 s ARG 125 N -4.48 0.46 -0.01 4.02 0.52 -1.26 -1.77 118.95 116.43 1wi6 s ARG 125 Ca 0.56 -0.59 -0.05 0.00 -0.52 0.00 0.00 55.73 55.13 1wi6 s ARG 125 Cb -0.09 0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.56 1wi6 s ARG 125 CO 0.35 -0.10 0.11 -1.17 0.02 0.00 0.00 175.30 174.51 1wi6 s LEU 126 N -1.67 1.64 -1.52 2.53 2.96 -0.56 -4.87 118.68 117.18 1wi6 s LEU 126 Ca -0.12 -0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 53.51 1wi6 s LEU 126 Cb -0.06 0.52 0.18 0.00 0.50 0.00 0.00 46.19 47.33 1wi6 s LEU 126 CO -0.01 -0.26 0.46 0.54 -1.32 0.00 0.00 176.35 175.76 1wi6 n ARG 127 N 1.97 -0.77 -3.10 1.98 5.12 -1.26 0.10 116.66 120.70 1wi6 n ARG 127 Ca -0.20 0.11 -0.13 0.00 -1.93 0.00 0.00 57.85 55.70 1wi6 n ARG 127 Cb 0.57 -3.79 0.07 0.00 -1.16 0.00 0.00 32.46 28.15 1wi6 n ARG 127 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1wi6 n GLU 128 N -3.42 -4.16 -3.78 5.56 1.02 -1.26 -5.04 120.64 109.56 1wi6 n GLU 128 Ca 0.08 0.71 -0.13 0.00 -0.02 0.00 0.00 57.16 57.80 1wi6 n GLU 128 Cb 0.38 -5.22 -0.10 0.00 -0.02 0.00 0.00 31.44 26.48 1wi6 n GLU 128 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1wi6 s ARG 129 N -4.77 0.52 -0.13 3.49 1.04 0.29 -5.14 118.95 114.25 1wi6 s ARG 129 Ca 0.14 0.01 -0.29 0.00 -1.04 0.00 0.00 55.73 54.55 1wi6 s ARG 129 Cb -0.02 0.23 -0.01 0.00 -2.04 0.00 0.00 34.95 33.12 1wi6 s ARG 129 CO 0.61 -0.12 1.00 -2.00 -0.04 0.00 0.00 175.30 174.75 1wi6 s GLU 130 N -0.76 4.38 -0.17 3.89 2.12 -1.26 -1.50 118.70 125.40 1wi6 s GLU 130 Ca -0.09 1.37 -0.05 0.00 0.36 0.00 0.00 54.97 56.56 1wi6 s GLU 130 Cb -0.04 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 1wi6 s GLU 130 CO 0.02 -0.38 0.00 -0.51 -0.54 0.00 0.00 175.26 173.86 1wi6 s LEU 131 N 2.25 3.49 -0.22 2.70 1.43 -0.73 -4.81 118.68 122.79 1wi6 s LEU 131 Ca 0.47 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.46 1wi6 s LEU 131 Cb -0.18 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1wi6 s LEU 131 CO 0.15 0.17 0.06 -0.44 0.23 0.00 0.00 176.35 176.52 1wi6 s SER 132 N 0.37 5.32 -0.05 2.29 0.01 -1.12 -3.94 113.70 116.57 1wi6 s SER 132 Ca -0.01 -0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1wi6 s SER 132 Cb -0.13 -1.93 0.01 0.00 0.21 0.00 0.00 66.02 64.17 1wi6 s SER 132 CO 0.02 0.06 -0.13 -0.69 0.41 0.00 0.00 173.24 172.91 1wi6 s VAL 133 N 1.04 1.16 0.12 3.43 1.01 -1.26 -1.62 120.40 124.29 1wi6 s VAL 133 Ca 0.04 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 1wi6 s VAL 133 Cb -0.14 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.24 1wi6 s VAL 133 CO 0.03 0.35 0.43 0.00 0.00 0.00 0.00 175.10 175.91 1wi6 s GLN 134 N 0.37 1.09 0.40 2.72 -2.07 -0.93 -4.76 119.66 116.48 1wi6 s GLN 134 Ca -0.09 -0.65 -0.27 0.00 -1.82 0.00 0.00 55.36 52.53 1wi6 s GLN 134 Cb -0.13 0.48 -0.10 0.00 -1.09 0.00 0.00 33.01 32.17 1wi6 s GLN 134 CO 0.03 -0.43 1.43 -0.51 -1.32 0.00 0.00 175.29 174.49 1wi6 s LEU 135 N -2.75 4.24 0.62 2.60 1.43 -1.26 -0.75 118.68 122.82 1wi6 s LEU 135 Ca 0.02 2.94 -0.18 0.00 -1.03 0.00 0.00 54.13 55.88 1wi6 s LEU 135 Cb 0.01 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 1wi6 s LEU 135 CO -0.12 -0.95 1.23 0.00 0.23 0.00 0.00 176.35 176.74 1wi6 s GLN 136 N -2.21 2.77 0.81 1.70 -2.07 -1.10 -4.74 119.66 114.82 1wi6 s GLN 136 Ca 0.56 1.86 -0.11 0.00 -1.82 0.00 0.00 55.36 55.85 1wi6 s GLN 136 Cb -0.44 -1.90 0.08 0.00 -1.09 0.00 0.00 33.01 29.66 1wi6 s GLN 136 CO 0.59 -1.38 1.09 -1.25 -1.32 0.00 0.00 175.29 173.02 1wi6 s PRO 137 N -3.43 1.97 0.13 9.60 0.04 -1.26 -4.89 135.00 137.16 1wi6 s PRO 137 Ca 0.78 1.07 -0.27 0.00 0.04 0.00 0.00 61.00 62.62 1wi6 s PRO 137 Cb -0.32 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 1wi6 s PRO 137 CO 0.36 -1.82 1.46 1.79 0.04 0.00 0.00 177.00 178.83 1wi6 h THR 138 N -1.25 0.00 -3.49 1.26 1.35 -2.01 -3.26 112.91 105.51 1wi6 h THR 138 Ca -0.45 0.00 -0.67 0.00 -0.55 0.00 0.00 66.41 64.74 1wi6 h THR 138 Cb 1.25 0.00 -0.38 0.00 -1.73 0.00 0.00 68.15 67.28 1wi6 h THR 138 CO 0.52 0.00 -0.55 -0.62 -0.25 0.00 0.00 175.52 174.62 1wi6 s ASP 139 N -5.04 4.78 0.03 5.36 2.15 -1.26 -4.98 116.67 117.71 1wi6 s ASP 139 Ca -0.11 -2.73 -0.25 0.00 0.43 0.00 0.00 52.55 49.90 1wi6 s ASP 139 Cb 0.09 -1.73 -0.14 0.00 -0.30 0.00 0.00 42.92 40.84 1wi6 s ASP 139 CO 0.53 -0.33 1.19 0.00 -0.17 0.00 0.00 175.17 176.39 1wi6 h ALA 140 N 7.01 -1.06 -3.24 3.66 0.00 -1.95 -3.43 119.26 120.24 1wi6 h ALA 140 Ca -0.06 -0.19 -0.45 0.00 0.00 0.00 0.00 54.91 54.20 1wi6 h ALA 140 Cb 0.95 0.34 -0.39 0.00 0.00 0.00 0.00 17.79 18.69 1wi6 h ALA 140 CO 0.67 -1.00 -0.76 -1.17 0.00 0.00 0.00 179.25 176.99 1wi6 s LEU 141 N -8.51 0.67 -0.32 0.00 1.98 -1.26 -5.08 118.68 106.16 1wi6 s LEU 141 Ca -0.13 -0.34 -0.04 0.00 -2.89 0.00 0.00 54.13 50.73 1wi6 s LEU 141 Cb 0.01 -0.42 0.04 0.00 0.66 0.00 0.00 46.19 46.48 1wi6 s LEU 141 CO 0.39 -0.25 0.06 -0.22 -1.89 0.00 0.00 176.35 174.43 1wi6 s LEU 142 N 1.99 4.10 -0.19 -0.68 2.96 -1.26 -5.07 118.68 120.53 1wi6 s LEU 142 Ca 0.03 -1.17 -0.14 0.00 -0.22 0.00 0.00 54.13 52.62 1wi6 s LEU 142 Cb -0.14 -1.80 0.05 0.00 0.50 0.00 0.00 46.19 44.80 1wi6 s LEU 142 CO -0.06 -0.29 0.48 0.00 -1.32 0.00 0.00 176.35 175.16 1wi6 n SER 144 N 3.44 1.20 0.00 0.00 2.88 -1.26 -5.10 113.62 114.78 1wi6 n SER 144 Ca -0.17 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1wi6 n SER 144 Cb 0.56 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1wi6 n SER 144 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi6 n GLY 145 N 2.43 1.38 3.77 0.46 0.00 -1.26 -5.04 105.19 106.93 1wi6 n GLY 145 Ca -0.15 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 1wi6 n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi6 s PRO 146 N 0.00 3.18 -0.16 1.61 0.04 -1.26 -5.00 135.00 133.42 1wi6 s PRO 146 Ca 0.00 1.54 -0.25 0.00 0.04 0.00 0.00 61.00 62.33 1wi6 s PRO 146 Cb 0.00 -1.99 -0.24 0.00 0.04 0.00 0.00 34.50 32.31 1wi6 s PRO 146 CO 0.00 -0.97 0.56 0.66 0.04 0.00 0.00 177.00 177.28 1wi6 h SER 147 N 0.83 0.05 -3.28 6.66 4.64 -2.07 -3.44 113.55 116.93 1wi6 h SER 147 Ca -0.49 -0.81 -0.67 0.00 -0.47 0.00 0.00 61.79 59.35 1wi6 h SER 147 Cb 1.26 -0.02 -0.34 0.00 -0.31 0.00 0.00 62.40 62.99 1wi6 h SER 147 CO 0.56 1.24 -0.82 -0.55 -0.87 0.00 0.00 176.83 176.39 1wi6 s SER 148 N -6.54 3.63 0.00 4.97 0.15 -1.26 -5.24 113.70 109.40 1wi6 s SER 148 Ca -0.22 -0.76 0.24 0.00 0.70 0.00 0.00 55.95 55.91 1wi6 s SER 148 Cb 0.01 -1.55 0.24 0.00 -1.71 0.00 0.00 66.02 63.01 1wi6 s SER 148 CO 0.67 -0.05 1.29 0.61 1.20 0.00 0.00 173.24 176.96