#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 6.14 -1.76 1.61 0.01 -1.26 -3.53 113.70 114.91 1wi6 s SER 63 Ca 0.00 1.90 -0.18 0.00 1.31 0.00 0.00 55.95 58.98 1wi6 s SER 63 Cb 0.00 -2.55 0.17 0.00 0.21 0.00 0.00 66.02 63.85 1wi6 s SER 63 CO 0.00 -0.92 0.61 -0.24 0.41 0.00 0.00 173.24 173.10 1wi6 n SER 64 N -1.33 -2.09 -3.32 2.44 2.88 -1.26 -4.91 113.62 106.03 1wi6 n SER 64 Ca 0.09 -1.14 -0.18 0.00 -1.33 0.00 0.00 58.87 56.31 1wi6 n SER 64 Cb 0.53 -2.14 0.12 0.00 -0.75 0.00 0.00 64.21 61.96 1wi6 n SER 64 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi6 n GLY 65 N -1.38 -0.95 4.02 0.46 0.00 -1.23 -5.10 105.19 101.01 1wi6 n GLY 65 Ca 0.04 -1.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.11 1wi6 n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wi6 s SER 66 N -4.05 5.25 0.04 1.61 1.04 -1.26 -4.85 113.70 111.48 1wi6 s SER 66 Ca 0.48 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 56.29 1wi6 s SER 66 Cb -0.02 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 1wi6 s SER 66 CO 0.33 -1.17 0.02 -0.55 0.98 0.00 0.00 173.24 172.85 1wi6 s SER 67 N -4.56 5.21 0.00 7.02 0.15 -1.26 -4.71 113.70 115.55 1wi6 s SER 67 Ca 0.60 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1wi6 s SER 67 Cb -0.07 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 1wi6 s SER 67 CO 0.37 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.65 1wi6 n GLY 68 N 0.94 3.17 3.13 9.45 0.00 -1.26 -4.62 105.19 116.00 1wi6 n GLY 68 Ca -0.12 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 1wi6 n GLY 68 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wi6 s ILE 69 N -1.90 0.75 -0.05 -0.61 -5.25 -0.82 -2.89 121.20 110.42 1wi6 s ILE 69 Ca 0.00 -1.41 -0.00 0.00 -0.99 0.00 0.00 60.65 58.25 1wi6 s ILE 69 Cb 0.00 -1.05 0.03 0.00 2.95 0.00 0.00 42.46 44.38 1wi6 s ILE 69 CO 0.00 -0.49 -0.01 -0.22 -1.79 0.00 0.00 174.94 172.43 1wi6 s LEU 70 N -2.08 0.95 0.02 0.37 2.96 0.19 -3.49 118.68 117.60 1wi6 s LEU 70 Ca -0.01 -0.07 0.07 0.00 -0.22 0.00 0.00 54.13 53.90 1wi6 s LEU 70 Cb -0.05 -0.36 -0.03 0.00 0.50 0.00 0.00 46.19 46.25 1wi6 s LEU 70 CO -0.00 -0.13 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.06 1wi6 s ILE 71 N 1.38 2.56 -0.03 6.68 1.01 -1.19 -1.33 121.20 130.28 1wi6 s ILE 71 Ca -0.04 -1.17 0.05 0.00 0.00 0.00 0.00 60.65 59.48 1wi6 s ILE 71 Cb -0.13 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1wi6 s ILE 71 CO -0.02 0.41 -0.17 -0.13 0.00 0.00 0.00 174.94 175.03 1wi6 s ARG 72 N -1.19 1.60 0.00 2.79 0.52 0.11 -3.43 118.95 119.35 1wi6 s ARG 72 Ca 0.13 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 1wi6 s ARG 72 Cb -0.10 -1.45 0.00 0.00 0.52 0.00 0.00 34.95 33.92 1wi6 s ARG 72 CO 0.03 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.05 1wi6 n GLY 73 N 2.96 -0.60 3.70 -3.53 0.00 -1.03 -2.99 105.19 103.69 1wi6 n GLY 73 Ca -0.17 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.56 3.49 1.24 0.99 1.43 -1.03 -4.89 118.68 119.35 1wi6 s LEU 74 Ca 0.00 -0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 52.73 1wi6 s LEU 74 Cb 0.00 -2.22 0.30 0.00 0.03 0.00 0.00 46.19 44.31 1wi6 s LEU 74 CO 0.00 0.17 1.11 -2.16 0.23 0.00 0.00 176.35 175.70 1wi6 s PRO 75 N -2.34 -1.52 0.22 1.29 0.04 -1.26 -4.94 135.00 126.48 1wi6 s PRO 75 Ca 0.26 -0.17 0.26 0.00 0.04 0.00 0.00 61.00 61.39 1wi6 s PRO 75 Cb -0.12 -1.57 0.73 0.00 0.04 0.00 0.00 34.50 33.58 1wi6 s PRO 75 CO 0.19 -3.89 1.72 0.78 0.04 0.00 0.00 177.00 175.83 1wi6 h GLY 76 N -2.70 0.00 -1.96 0.56 0.00 -2.02 -3.16 103.07 93.79 1wi6 h GLY 76 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1wi6 h GLY 76 CO 0.30 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.06 1wi6 n ASP 77 N -2.30 3.53 -4.59 0.19 8.00 -1.26 -4.96 116.55 115.16 1wi6 n ASP 77 Ca 0.05 -2.11 -0.41 0.00 0.71 0.00 0.00 54.79 53.03 1wi6 n ASP 77 Cb 0.44 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1wi6 n ASP 77 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wi6 s VAL 78 N -1.21 3.05 0.39 2.53 0.11 -1.20 -4.94 120.40 119.13 1wi6 s VAL 78 Ca 0.36 0.05 0.08 0.00 -2.93 0.00 0.00 61.98 59.54 1wi6 s VAL 78 Cb 0.20 -3.08 -0.07 0.00 -1.53 0.00 0.00 36.38 31.90 1wi6 s VAL 78 CO 0.22 -0.06 -0.02 0.28 -3.33 0.00 0.00 175.10 172.19 1wi6 s THR 79 N 9.28 2.10 0.47 5.04 -1.32 -1.26 -4.93 115.64 125.02 1wi6 s THR 79 Ca 0.98 -2.06 0.21 0.00 -1.21 0.00 0.00 61.69 59.60 1wi6 s THR 79 Cb -0.27 -2.88 0.38 0.00 -1.51 0.00 0.00 72.50 68.22 1wi6 s THR 79 CO 0.32 -0.07 1.94 0.78 -2.21 0.00 0.00 174.62 175.38 1wi6 h ASN 80 N 1.85 0.22 -0.12 8.08 2.35 -1.96 0.13 115.58 126.12 1wi6 h ASN 80 Ca -0.43 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.27 1wi6 h ASN 80 Cb 1.24 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 1wi6 h ASN 80 CO 0.77 0.11 -0.10 -0.61 -1.65 0.00 0.00 177.43 175.95 1wi6 h GLN 81 N 0.23 0.45 -0.31 0.81 5.75 -1.97 -0.73 115.11 119.34 1wi6 h GLN 81 Ca 0.34 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.69 1wi6 h GLN 81 Cb 0.99 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.48 1wi6 h GLN 81 CO -0.07 0.55 0.06 1.49 -2.65 0.00 0.00 178.83 178.21 1wi6 h GLU 82 N 0.42 0.51 -0.33 1.69 4.57 -1.10 -0.44 114.58 119.90 1wi6 h GLU 82 Ca 0.08 -0.13 -0.14 0.00 -1.18 0.00 0.00 59.36 57.99 1wi6 h GLU 82 Cb 0.43 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1wi6 h GLU 82 CO 0.02 0.60 -0.34 -0.39 -1.18 0.00 0.00 179.01 177.72 1wi6 h VAL 83 N 0.34 1.29 -0.18 0.32 -1.51 -1.38 -1.90 116.25 113.24 1wi6 h VAL 83 Ca 0.10 -1.52 -0.01 0.00 -1.23 0.00 0.00 66.70 64.04 1wi6 h VAL 83 Cb 0.33 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 1wi6 h VAL 83 CO 0.00 0.50 0.09 0.45 -1.23 0.00 0.00 177.57 177.38 1wi6 h HIS 84 N 0.59 0.25 -0.20 5.19 3.86 -1.07 -0.66 115.15 123.11 1wi6 h HIS 84 Ca 0.05 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 1wi6 h HIS 84 Cb 0.93 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1wi6 h HIS 84 CO 0.07 0.26 -0.11 0.22 0.86 0.00 0.00 177.93 179.23 1wi6 h ASP 85 N 0.17 0.31 -0.32 2.45 3.58 -1.09 0.50 116.42 122.01 1wi6 h ASP 85 Ca 0.06 -0.07 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1wi6 h ASP 85 Cb 0.10 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1wi6 h ASP 85 CO -0.01 0.46 -0.30 0.25 -2.88 0.00 0.00 179.24 176.77 1wi6 h LEU 86 N 0.31 0.81 -3.67 2.28 5.85 -0.96 -3.23 115.31 116.70 1wi6 h LEU 86 Ca 0.06 -0.46 -0.45 0.00 0.84 0.00 0.00 57.88 57.87 1wi6 h LEU 86 Cb 0.40 -0.23 -0.29 0.00 0.37 0.00 0.00 40.66 40.91 1wi6 h LEU 86 CO 0.02 1.11 -0.19 0.18 -0.34 0.00 0.00 178.44 179.22 1wi6 n LEU 87 N -4.22 5.27 -0.03 2.25 4.77 -0.29 -4.70 117.00 120.05 1wi6 n LEU 87 Ca -0.03 -4.33 -0.14 0.00 -0.03 0.00 0.00 56.01 51.48 1wi6 n LEU 87 Cb 0.48 -0.58 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 1wi6 n LEU 87 CO 0.46 1.69 0.46 0.77 -1.33 0.00 0.00 177.39 179.43 1wi6 h SER 88 N 1.74 0.18 -0.94 -1.43 4.64 -0.03 -3.26 113.55 114.46 1wi6 h SER 88 Ca 0.37 -0.71 0.36 0.00 -0.47 0.00 0.00 61.79 61.34 1wi6 h SER 88 Cb 1.41 -0.05 -0.17 0.00 -0.31 0.00 0.00 62.40 63.28 1wi6 h SER 88 CO 0.82 0.86 0.38 0.47 -0.87 0.00 0.00 176.83 178.49 1wi6 n ASP 89 N -4.58 0.21 -4.59 4.97 9.92 -1.26 -4.40 116.55 116.81 1wi6 n ASP 89 Ca -0.09 1.56 -0.25 0.00 -0.53 0.00 0.00 54.79 55.48 1wi6 n ASP 89 Cb 0.44 -0.71 0.12 0.00 -0.64 0.00 0.00 41.12 40.33 1wi6 n ASP 89 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1wi6 s TYR 90 N -5.56 1.69 -0.49 1.24 1.51 -1.23 -5.04 117.35 109.47 1wi6 s TYR 90 Ca -0.09 -0.12 -0.21 0.00 -1.01 0.00 0.00 57.07 55.63 1wi6 s TYR 90 Cb 0.31 -3.21 0.04 0.00 -0.11 0.00 0.00 41.96 38.98 1wi6 s TYR 90 CO 0.73 -1.85 0.74 -1.21 -1.11 0.00 0.00 175.55 172.85 1wi6 s GLU 91 N -5.28 3.26 -0.84 -0.62 0.41 -1.26 -5.00 118.70 109.36 1wi6 s GLU 91 Ca 0.67 -0.48 -0.25 0.00 -0.41 0.00 0.00 54.97 54.49 1wi6 s GLU 91 Cb -0.05 -4.03 0.03 0.00 -1.78 0.00 0.00 34.13 28.30 1wi6 s GLU 91 CO 0.46 -1.23 1.38 -0.51 -0.49 0.00 0.00 175.26 174.86 1wi6 s LEU 92 N 3.14 3.29 0.09 1.80 1.43 -1.26 -3.83 118.68 123.34 1wi6 s LEU 92 Ca 0.23 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 1wi6 s LEU 92 Cb -0.15 -2.56 -0.19 0.00 0.03 0.00 0.00 46.19 43.31 1wi6 s LEU 92 CO 0.17 -1.76 1.22 0.11 0.23 0.00 0.00 176.35 176.32 1wi6 h LYS 93 N 10.14 0.62 -3.71 1.70 1.79 -1.87 -3.45 116.57 121.80 1wi6 h LYS 93 Ca -0.10 -0.67 -0.31 0.00 -2.18 0.00 0.00 60.65 57.40 1wi6 h LYS 93 Cb 1.04 0.19 -0.32 0.00 -1.58 0.00 0.00 32.23 31.56 1wi6 h LYS 93 CO 1.33 1.27 -0.74 -0.47 -1.08 0.00 0.00 179.45 179.76 1wi6 s TYR 94 N -3.29 0.17 -0.10 -1.35 5.04 -1.19 -5.03 117.35 111.60 1wi6 s TYR 94 Ca -0.09 0.03 0.03 0.00 -2.44 0.00 0.00 57.07 54.61 1wi6 s TYR 94 Cb 0.07 -0.27 0.01 0.00 0.35 0.00 0.00 41.96 42.12 1wi6 s TYR 94 CO 0.91 -0.08 -0.21 0.00 -1.34 0.00 0.00 175.55 174.83 1wi6 s PHE 96 N 0.53 -0.06 -0.18 0.00 5.36 -0.70 -5.04 117.98 117.89 1wi6 s PHE 96 Ca -0.15 0.42 0.01 0.00 -0.96 0.00 0.00 56.93 56.24 1wi6 s PHE 96 Cb -0.17 -0.34 0.03 0.00 -0.34 0.00 0.00 43.02 42.20 1wi6 s PHE 96 CO 0.05 -0.22 -0.14 0.08 -1.46 0.00 0.00 175.22 173.54 1wi6 s VAL 97 N 2.06 1.73 -0.48 3.12 1.01 -1.26 -1.10 120.40 125.48 1wi6 s VAL 97 Ca 0.02 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1wi6 s VAL 97 Cb -0.12 -1.68 0.13 0.00 0.00 0.00 0.00 36.38 34.70 1wi6 s VAL 97 CO -0.04 0.35 0.24 -0.62 0.00 0.00 0.00 175.10 175.02 1wi6 s ASP 98 N 1.39 4.85 0.07 3.32 2.15 -0.63 -4.95 116.67 122.87 1wi6 s ASP 98 Ca 0.02 -2.56 -0.19 0.00 0.43 0.00 0.00 52.55 50.25 1wi6 s ASP 98 Cb -0.14 -1.73 -0.10 0.00 -0.30 0.00 0.00 42.92 40.65 1wi6 s ASP 98 CO -0.10 -0.37 1.48 0.07 -0.17 0.00 0.00 175.17 176.09 1wi6 h LYS 99 N 7.23 0.39 -0.17 4.34 2.10 -1.92 -1.57 116.57 126.96 1wi6 h LYS 99 Ca -0.06 -0.14 0.02 0.00 -2.00 0.00 0.00 60.65 58.46 1wi6 h LYS 99 Cb 0.97 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.25 1wi6 h LYS 99 CO 0.66 0.61 -0.10 0.66 -2.00 0.00 0.00 179.45 179.27 1wi6 n TYR 100 N -4.64 -0.08 0.03 0.07 4.01 -1.26 0.46 117.16 115.76 1wi6 n TYR 100 Ca -0.04 0.21 -0.03 0.00 -0.16 0.00 0.00 57.90 57.88 1wi6 n TYR 100 Cb 0.26 -0.41 0.21 0.00 -0.31 0.00 0.00 39.34 39.09 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 0.43 0.00 -0.72 1.79 -2.01 -3.47 116.57 112.60 1wi6 h LYS 101 Ca 0.03 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1wi6 h LYS 101 Cb 0.07 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1wi6 h LYS 101 CO -0.16 0.68 0.00 0.41 -1.08 0.00 0.00 179.45 179.30 1wi6 n GLY 102 N -0.33 1.88 3.24 3.86 0.00 0.17 -4.93 105.19 109.07 1wi6 n GLY 102 Ca -0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 0.24 -0.02 2.61 -4.23 -0.66 -2.47 115.64 109.12 1wi6 s THR 103 Ca 0.00 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.51 1wi6 s THR 103 Cb 0.00 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.37 1wi6 s THR 103 CO 0.00 -0.07 0.04 0.00 -0.54 0.00 0.00 174.62 174.05 1wi6 s ALA 104 N -3.98 -0.02 -0.16 3.99 0.00 -1.22 -1.61 121.76 118.76 1wi6 s ALA 104 Ca 0.36 0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.54 1wi6 s ALA 104 Cb 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 1wi6 s ALA 104 CO 0.11 -0.06 -0.14 -0.06 0.00 0.00 0.00 175.76 175.61 1wi6 s PHE 105 N 0.55 2.81 -0.00 0.00 0.08 -0.26 -3.15 117.98 118.00 1wi6 s PHE 105 Ca -0.04 -0.96 0.03 0.00 0.12 0.00 0.00 56.93 56.07 1wi6 s PHE 105 Cb -0.06 -1.90 -0.01 0.00 -0.57 0.00 0.00 43.02 40.47 1wi6 s PHE 105 CO -0.02 -0.44 -0.11 0.08 -0.10 0.00 0.00 175.22 174.64 1wi6 s VAL 106 N 0.81 0.83 -0.27 -0.44 1.01 -1.23 -1.73 120.40 119.39 1wi6 s VAL 106 Ca -0.05 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 1wi6 s VAL 106 Cb -0.15 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1wi6 s VAL 106 CO 0.00 0.20 0.01 -0.89 0.00 0.00 0.00 175.10 174.43 1wi6 s THR 107 N -0.32 3.52 0.89 3.92 2.01 -1.02 -1.95 115.64 122.69 1wi6 s THR 107 Ca 0.03 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.16 1wi6 s THR 107 Cb -0.04 -2.77 0.18 0.00 0.01 0.00 0.00 72.50 69.88 1wi6 s THR 107 CO -0.00 0.18 1.22 -0.76 -0.69 0.00 0.00 174.62 174.56 1wi6 s LEU 108 N 1.44 2.81 -0.04 4.42 1.43 -1.26 -3.17 118.68 124.31 1wi6 s LEU 108 Ca 0.02 0.00 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1wi6 s LEU 108 Cb -0.17 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1wi6 s LEU 108 CO -0.01 -2.50 0.39 0.25 0.23 0.00 0.00 176.35 174.72 1wi6 h LEU 109 N -1.30 -0.22-10.40 1.79 5.85 -1.98 -3.45 115.31 105.60 1wi6 h LEU 109 Ca -0.41 0.01 -0.52 0.00 0.84 0.00 0.00 57.88 57.79 1wi6 h LEU 109 Cb 1.24 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 1wi6 h LEU 109 CO 0.37 0.08 -0.26 0.20 -0.34 0.00 0.00 178.44 178.49 1wi6 s ASN 110 N -4.34 4.94 0.10 1.25 0.01 -1.26 -4.84 114.94 110.79 1wi6 s ASN 110 Ca -0.04 -0.95 0.08 0.00 -0.71 0.00 0.00 52.86 51.24 1wi6 s ASN 110 Cb 0.00 0.07 -0.21 0.00 0.41 0.00 0.00 41.25 41.53 1wi6 s ASN 110 CO 0.12 -1.04 1.19 1.23 -1.51 0.00 0.00 177.10 177.09 1wi6 h GLY 111 N 0.64 0.00 1.00 0.66 0.00 -1.89 -3.32 103.07 100.17 1wi6 h GLY 111 Ca -0.36 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.98 1wi6 h GLY 111 CO 0.52 0.00 0.51 0.83 0.00 0.00 0.00 176.54 178.39 1wi6 h GLU 112 N 0.00 1.01 -0.79 4.80 5.08 -1.96 -2.15 114.58 120.57 1wi6 h GLU 112 Ca -0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1wi6 h GLU 112 Cb 1.80 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.78 1wi6 h GLU 112 CO 0.12 0.67 0.46 1.96 -1.00 0.00 0.00 179.01 181.21 1wi6 h GLN 113 N 1.04 1.08 -0.26 2.33 4.20 -1.99 -1.46 115.11 120.05 1wi6 h GLN 113 Ca 0.28 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1wi6 h GLN 113 Cb -0.11 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.43 1wi6 h GLN 113 CO -0.06 0.77 0.10 0.00 -0.67 0.00 0.00 178.83 178.97 1wi6 h ALA 114 N 1.41 0.33 -0.37 3.87 0.00 -1.50 -0.58 119.26 122.41 1wi6 h ALA 114 Ca 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1wi6 h ALA 114 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1wi6 h ALA 114 CO -0.05 -0.08 0.18 1.49 0.00 0.00 0.00 179.25 180.80 1wi6 h GLU 115 N 0.26 0.53 -0.50 0.00 4.81 -1.11 0.33 114.58 118.90 1wi6 h GLU 115 Ca 0.09 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1wi6 h GLU 115 Cb 0.17 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1wi6 h GLU 115 CO -0.01 0.47 0.29 0.00 -0.73 0.00 0.00 179.01 179.03 1wi6 h ALA 116 N 1.04 0.64 -0.41 2.92 0.00 -1.17 0.32 119.26 122.60 1wi6 h ALA 116 Ca 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1wi6 h ALA 116 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1wi6 h ALA 116 CO -0.02 0.14 0.06 0.00 0.00 0.00 0.00 179.25 179.44 1wi6 h ALA 117 N 1.14 0.55 -0.47 0.00 0.00 -0.91 -2.44 119.26 117.13 1wi6 h ALA 117 Ca 0.18 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1wi6 h ALA 117 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wi6 h ALA 117 CO -0.03 0.27 -0.17 0.82 0.00 0.00 0.00 179.25 180.14 1wi6 h ILE 118 N 0.53 1.27 -0.52 0.00 2.04 -0.71 0.26 117.51 120.37 1wi6 h ILE 118 Ca 0.12 -1.31 0.05 0.00 1.00 0.00 0.00 64.86 64.72 1wi6 h ILE 118 Cb 0.38 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1wi6 h ILE 118 CO 0.01 0.45 0.27 -1.13 0.00 0.00 0.00 178.15 177.75 1wi6 h ASN 119 N 0.79 0.39 0.01 1.72 -0.73 -0.28 0.93 115.58 118.40 1wi6 h ASN 119 Ca 0.11 0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.28 1wi6 h ASN 119 Cb 0.73 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.28 1wi6 h ASN 119 CO 0.06 0.26 -0.11 0.74 -0.37 0.00 0.00 177.43 178.01 1wi6 h THR 120 N 0.52 1.67 0.00 -3.57 2.02 -1.37 -3.26 112.91 108.91 1wi6 h THR 120 Ca 0.23 -2.10 -0.01 0.00 0.77 0.00 0.00 66.41 65.29 1wi6 h THR 120 Cb 0.14 3.07 -0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1wi6 h THR 120 CO -0.16 0.56 -0.06 -0.26 0.37 0.00 0.00 175.52 175.96 1wi6 h PHE 121 N -0.78 0.00 -4.04 3.16 0.04 -0.40 -3.42 116.94 111.50 1wi6 h PHE 121 Ca -0.02 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.28 1wi6 h PHE 121 Cb 0.97 0.00 0.15 0.00 2.20 0.00 0.00 35.95 39.27 1wi6 h PHE 121 CO 0.23 0.06 0.24 -1.58 -0.60 0.00 0.00 178.31 176.66 1wi6 s HIS 122 N -4.21 2.32 -0.37 -0.55 5.65 0.32 -3.30 115.29 115.14 1wi6 s HIS 122 Ca -0.03 1.09 0.00 0.00 0.25 0.00 0.00 55.06 56.37 1wi6 s HIS 122 Cb 0.13 -3.23 0.00 0.00 -1.18 0.00 0.00 32.58 28.31 1wi6 s HIS 122 CO 0.54 -2.52 0.00 0.00 -0.65 0.00 0.00 174.74 172.11 1wi6 n GLN 123 N -3.93 -2.03 -2.82 2.88 10.64 -1.26 -4.88 117.38 115.97 1wi6 n GLN 123 Ca 0.06 0.21 -0.20 0.00 -1.83 0.00 0.00 57.00 55.24 1wi6 n GLN 123 Cb 0.57 -4.54 0.02 0.00 -0.86 0.00 0.00 30.24 25.43 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 -1.72 5.47 0.04 2.61 1.04 -1.21 -5.01 113.70 114.92 1wi6 s SER 124 Ca 0.00 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1wi6 s SER 124 Cb 0.00 -0.87 -0.03 0.00 0.10 0.00 0.00 66.02 65.22 1wi6 s SER 124 CO 0.00 -0.96 -0.04 -0.13 0.98 0.00 0.00 173.24 173.09 1wi6 s ARG 125 N -4.59 0.46 -0.12 4.02 0.52 -1.26 -2.60 118.95 115.37 1wi6 s ARG 125 Ca 0.55 -0.83 -0.07 0.00 -0.52 0.00 0.00 55.73 54.86 1wi6 s ARG 125 Cb -0.10 0.03 0.04 0.00 0.52 0.00 0.00 34.95 35.45 1wi6 s ARG 125 CO 0.36 -0.04 0.29 -1.17 0.02 0.00 0.00 175.30 174.76 1wi6 s LEU 126 N -1.93 0.45 -1.58 2.53 2.96 -0.83 -4.90 118.68 115.38 1wi6 s LEU 126 Ca -0.08 0.61 -0.12 0.00 -0.22 0.00 0.00 54.13 54.32 1wi6 s LEU 126 Cb -0.05 0.92 0.10 0.00 0.50 0.00 0.00 46.19 47.67 1wi6 s LEU 126 CO -0.03 -0.15 0.74 0.54 -1.32 0.00 0.00 176.35 176.12 1wi6 n ARG 127 N 3.88 -3.77 -3.56 1.98 1.74 -1.26 -0.65 116.66 115.01 1wi6 n ARG 127 Ca -0.21 0.44 -0.21 0.00 -0.77 0.00 0.00 57.85 57.09 1wi6 n ARG 127 Cb 0.55 -5.05 0.08 0.00 -1.02 0.00 0.00 32.46 27.02 1wi6 n ARG 127 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1wi6 n GLU 128 N -4.45 -6.84 -3.99 5.56 4.71 -1.26 -5.01 120.64 109.36 1wi6 n GLU 128 Ca -0.04 0.80 -0.12 0.00 -0.01 0.00 0.00 57.16 57.79 1wi6 n GLU 128 Cb 0.55 -5.77 -0.12 0.00 -1.01 0.00 0.00 31.44 25.09 1wi6 n GLU 128 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 1wi6 s ARG 129 N -5.87 0.28 -0.12 3.49 1.04 0.17 -5.13 118.95 112.82 1wi6 s ARG 129 Ca 0.26 -0.40 -0.29 0.00 -1.04 0.00 0.00 55.73 54.26 1wi6 s ARG 129 Cb -0.12 -0.08 -0.01 0.00 -2.04 0.00 0.00 34.95 32.71 1wi6 s ARG 129 CO 0.75 0.01 1.01 -2.00 -0.04 0.00 0.00 175.30 175.03 1wi6 s GLU 130 N -0.86 4.41 -0.13 3.89 2.12 -1.26 -1.96 118.70 124.91 1wi6 s GLU 130 Ca -0.08 1.39 -0.02 0.00 0.36 0.00 0.00 54.97 56.62 1wi6 s GLU 130 Cb -0.06 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 1wi6 s GLU 130 CO -0.00 -0.34 -0.05 -0.51 -0.54 0.00 0.00 175.26 173.82 1wi6 s LEU 131 N 2.12 3.23 -0.20 2.70 1.43 -1.07 -4.86 118.68 122.04 1wi6 s LEU 131 Ca 0.48 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1wi6 s LEU 131 Cb -0.18 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1wi6 s LEU 131 CO 0.17 0.23 -0.07 -0.44 0.23 0.00 0.00 176.35 176.47 1wi6 s SER 132 N -0.00 4.24 -0.03 2.29 0.01 -1.16 -4.19 113.70 114.86 1wi6 s SER 132 Ca 0.00 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 56.94 1wi6 s SER 132 Cb -0.13 -1.71 -0.00 0.00 0.21 0.00 0.00 66.02 64.38 1wi6 s SER 132 CO 0.03 0.03 -0.16 -0.69 0.41 0.00 0.00 173.24 172.86 1wi6 s VAL 133 N 1.15 1.35 0.15 3.43 1.01 -1.26 -0.71 120.40 125.52 1wi6 s VAL 133 Ca 0.02 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1wi6 s VAL 133 Cb -0.14 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.11 1wi6 s VAL 133 CO -0.01 0.39 0.43 0.00 0.00 0.00 0.00 175.10 175.91 1wi6 s GLN 134 N -0.05 1.16 0.51 2.72 -2.07 -0.44 -4.80 119.66 116.69 1wi6 s GLN 134 Ca -0.01 -0.77 -0.22 0.00 -1.82 0.00 0.00 55.36 52.54 1wi6 s GLN 134 Cb -0.10 0.48 -0.06 0.00 -1.09 0.00 0.00 33.01 32.24 1wi6 s GLN 134 CO 0.01 -0.47 1.31 -0.51 -1.32 0.00 0.00 175.29 174.32 1wi6 s LEU 135 N -2.83 3.92 0.74 2.60 1.43 -1.26 -0.64 118.68 122.64 1wi6 s LEU 135 Ca 0.05 2.66 -0.12 0.00 -1.03 0.00 0.00 54.13 55.69 1wi6 s LEU 135 Cb 0.01 -4.23 0.04 0.00 0.03 0.00 0.00 46.19 42.04 1wi6 s LEU 135 CO -0.09 -1.36 1.10 -1.10 0.23 0.00 0.00 176.35 175.13 1wi6 s GLN 136 N -2.80 2.41 -0.10 1.70 -0.21 -1.14 -4.70 119.66 114.82 1wi6 s GLN 136 Ca 0.68 1.24 -0.29 0.00 0.02 0.00 0.00 55.36 57.00 1wi6 s GLN 136 Cb -0.38 -1.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 1wi6 s GLN 136 CO 0.45 -1.53 1.53 -1.25 -2.12 0.00 0.00 175.29 172.37 1wi6 s PRO 137 N -4.66 4.16 0.16 2.91 0.04 -1.26 -4.92 135.00 131.42 1wi6 s PRO 137 Ca 0.63 1.98 -0.25 0.00 0.04 0.00 0.00 61.00 63.40 1wi6 s PRO 137 Cb -0.18 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1wi6 s PRO 137 CO 0.52 -0.85 1.37 2.41 0.04 0.00 0.00 177.00 180.49 1wi6 n THR 138 N 5.54 -0.57 -3.91 1.26 -1.04 -1.26 -3.84 114.28 110.45 1wi6 n THR 138 Ca 0.16 2.14 -0.30 0.00 -2.04 0.00 0.00 64.05 64.01 1wi6 n THR 138 Cb 0.44 -2.68 -0.15 0.00 -1.82 0.00 0.00 70.33 66.11 1wi6 n THR 138 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1wi6 s ASP 139 N -5.41 4.03 -0.31 8.00 1.47 -1.26 -5.02 116.67 118.16 1wi6 s ASP 139 Ca -0.11 -1.42 -0.12 0.00 1.18 0.00 0.00 52.55 52.07 1wi6 s ASP 139 Cb 0.12 -1.19 -0.03 0.00 -0.34 0.00 0.00 42.92 41.47 1wi6 s ASP 139 CO 0.57 -0.29 0.24 0.00 0.68 0.00 0.00 175.17 176.37 1wi6 s ALA 140 N 1.35 3.52 -0.24 2.11 0.00 -1.25 -5.04 121.76 122.22 1wi6 s ALA 140 Ca -0.00 -1.21 -0.28 0.00 0.00 0.00 0.00 51.96 50.47 1wi6 s ALA 140 Cb -0.19 -2.60 0.15 0.00 0.00 0.00 0.00 23.12 20.48 1wi6 s ALA 140 CO -0.10 -0.78 1.15 -1.17 0.00 0.00 0.00 175.76 174.86 1wi6 s LEU 141 N 1.78 -0.28 0.10 0.00 0.20 -1.26 -5.13 118.68 114.09 1wi6 s LEU 141 Ca 0.07 0.41 -0.36 0.00 0.69 0.00 0.00 54.13 54.95 1wi6 s LEU 141 Cb -0.17 1.60 -0.16 0.00 -0.43 0.00 0.00 46.19 47.03 1wi6 s LEU 141 CO 0.11 -0.18 1.33 0.18 -0.29 0.00 0.00 176.35 177.50 1wi6 n LEU 142 N 1.23 1.69 -1.88 -0.68 4.77 -1.26 -4.83 117.00 116.04 1wi6 n LEU 142 Ca -0.09 1.12 -0.16 0.00 -0.03 0.00 0.00 56.01 56.85 1wi6 n LEU 142 Cb 0.57 -1.20 0.04 0.00 -2.33 0.00 0.00 43.42 40.50 1wi6 n LEU 142 CO 0.08 -1.05 1.21 0.00 -1.33 0.00 0.00 177.39 176.30 1wi6 s SER 144 N 0.24 6.76 0.00 0.00 0.01 -1.26 -4.93 113.70 114.52 1wi6 s SER 144 Ca 0.30 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.65 1wi6 s SER 144 Cb 0.23 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1wi6 s SER 144 CO -0.00 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1wi6 n GLY 145 N 0.14 0.79 3.68 3.44 0.00 -1.26 -5.10 105.19 106.87 1wi6 n GLY 145 Ca -0.01 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 4.25 0.22 1.61 0.04 -1.26 -5.02 135.00 134.84 1wi6 s PRO 146 Ca 0.00 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.16 1wi6 s PRO 146 Cb 0.00 -3.64 -0.05 0.00 0.04 0.00 0.00 34.50 30.85 1wi6 s PRO 146 CO 0.00 -0.64 -0.20 0.45 0.04 0.00 0.00 177.00 176.65 1wi6 s SER 147 N 2.14 3.17 0.28 6.66 0.15 -1.26 -5.10 113.70 119.74 1wi6 s SER 147 Ca 0.66 -0.95 -0.30 0.00 0.70 0.00 0.00 55.95 56.05 1wi6 s SER 147 Cb -0.32 -0.23 -0.12 0.00 -1.71 0.00 0.00 66.02 63.64 1wi6 s SER 147 CO 0.27 0.01 1.53 -1.20 1.20 0.00 0.00 173.24 175.04 1wi6 n SER 148 N -0.14 3.46 0.00 5.45 7.64 -1.26 -5.34 113.62 123.43 1wi6 n SER 148 Ca -0.09 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1wi6 n SER 148 Cb 0.58 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1wi6 n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64