#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 4.82 0.27 1.61 1.04 -1.26 -5.08 113.70 115.11 1wi6 s SER 63 Ca 0.00 -1.10 -0.13 0.00 0.48 0.00 0.00 55.95 55.20 1wi6 s SER 63 Cb 0.00 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.39 1wi6 s SER 63 CO 0.00 -0.23 0.53 -0.94 0.98 0.00 0.00 173.24 173.58 1wi6 s SER 64 N 1.31 -0.00 0.00 7.02 1.04 -1.26 -4.98 113.70 116.84 1wi6 s SER 64 Ca -0.03 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1wi6 s SER 64 Cb -0.19 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1wi6 s SER 64 CO -0.01 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.60 1wi6 n GLY 65 N -0.42 1.20 3.80 7.32 0.00 -1.26 -5.12 105.19 110.71 1wi6 n GLY 65 Ca -0.02 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1wi6 n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi6 s SER 66 N 0.00 7.18 -0.06 1.61 0.01 -1.26 -4.95 113.70 116.22 1wi6 s SER 66 Ca 0.00 1.63 -0.19 0.00 1.31 0.00 0.00 55.95 58.70 1wi6 s SER 66 Cb 0.00 -2.50 -0.30 0.00 0.21 0.00 0.00 66.02 63.42 1wi6 s SER 66 CO 0.00 -0.05 0.79 -1.28 0.41 0.00 0.00 173.24 173.11 1wi6 h SER 67 N 3.17 0.47 -1.73 2.44 0.87 -1.92 -3.43 113.55 113.41 1wi6 h SER 67 Ca -0.47 -0.92 -0.51 0.00 -1.23 0.00 0.00 61.79 58.66 1wi6 h SER 67 Cb 1.19 -0.15 0.16 0.00 -0.44 0.00 0.00 62.40 63.16 1wi6 h SER 67 CO 0.65 1.49 -1.09 0.61 -0.53 0.00 0.00 176.83 177.96 1wi6 n GLY 68 N 1.70 -2.98 3.44 5.77 0.00 -1.26 -4.55 105.19 107.30 1wi6 n GLY 68 Ca -0.18 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.73 2.15 -0.04 -0.61 -5.25 0.65 -1.69 121.20 114.67 1wi6 s ILE 69 Ca 0.47 -2.30 -0.01 0.00 -0.99 0.00 0.00 60.65 57.82 1wi6 s ILE 69 Cb -0.39 -2.27 0.03 0.00 2.95 0.00 0.00 42.46 42.78 1wi6 s ILE 69 CO 0.59 -0.43 0.01 -0.22 -1.79 0.00 0.00 174.94 173.11 1wi6 s LEU 70 N -3.45 0.79 0.01 0.37 2.96 -0.30 -3.27 118.68 115.79 1wi6 s LEU 70 Ca 0.28 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 54.22 1wi6 s LEU 70 Cb -0.02 -0.27 -0.03 0.00 0.50 0.00 0.00 46.19 46.36 1wi6 s LEU 70 CO 0.12 -0.16 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.24 1wi6 s ILE 71 N 1.53 3.16 -0.05 6.68 1.01 -1.06 -1.73 121.20 130.75 1wi6 s ILE 71 Ca -0.03 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.69 1wi6 s ILE 71 Cb -0.13 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 40.01 1wi6 s ILE 71 CO -0.03 0.39 -0.12 -0.13 0.00 0.00 0.00 174.94 175.05 1wi6 s ARG 72 N -1.34 1.45 0.00 2.79 0.52 0.27 -3.36 118.95 119.28 1wi6 s ARG 72 Ca 0.15 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 1wi6 s ARG 72 Cb -0.11 -1.26 0.00 0.00 0.52 0.00 0.00 34.95 34.10 1wi6 s ARG 72 CO 0.06 0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.88 1wi6 n GLY 73 N 3.52 0.09 3.54 -3.53 0.00 -1.08 -2.65 105.19 105.09 1wi6 n GLY 73 Ca -0.21 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.51 2.91 0.98 0.99 1.43 -1.11 -4.88 118.68 118.50 1wi6 s LEU 74 Ca 0.00 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 1wi6 s LEU 74 Cb 0.00 -1.72 0.18 0.00 0.03 0.00 0.00 46.19 44.68 1wi6 s LEU 74 CO 0.00 0.19 1.09 -2.16 0.23 0.00 0.00 176.35 175.70 1wi6 s PRO 75 N -2.09 0.54 0.26 1.29 0.04 -1.26 -4.93 135.00 128.86 1wi6 s PRO 75 Ca 0.20 0.57 0.25 0.00 0.04 0.00 0.00 61.00 62.05 1wi6 s PRO 75 Cb -0.11 -1.75 0.94 0.00 0.04 0.00 0.00 34.50 33.63 1wi6 s PRO 75 CO 0.12 -2.67 1.74 0.78 0.04 0.00 0.00 177.00 177.01 1wi6 h GLY 76 N -1.85 0.00 -2.08 0.56 0.00 -2.00 -2.65 103.07 95.06 1wi6 h GLY 76 Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1wi6 h GLY 76 CO 0.57 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.33 1wi6 n ASP 77 N -2.31 3.32 -4.60 0.19 8.00 -1.26 -4.96 116.55 114.93 1wi6 n ASP 77 Ca 0.03 -1.94 -0.44 0.00 0.71 0.00 0.00 54.79 53.15 1wi6 n ASP 77 Cb 0.30 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1wi6 n ASP 77 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1wi6 n VAL 78 N 1.29 0.43 -4.62 2.53 3.14 -1.00 -4.96 118.33 115.14 1wi6 n VAL 78 Ca 0.18 -0.37 -0.28 0.00 -2.96 0.00 0.00 64.34 60.91 1wi6 n VAL 78 Cb 0.55 -2.42 -0.11 0.00 -1.06 0.00 0.00 33.84 30.80 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 7.26 1.98 0.48 1.55 -1.32 -1.26 -4.89 115.64 119.43 1wi6 s THR 79 Ca 0.99 -2.00 0.17 0.00 -1.21 0.00 0.00 61.69 59.64 1wi6 s THR 79 Cb -0.41 -2.97 0.33 0.00 -1.51 0.00 0.00 72.50 67.93 1wi6 s THR 79 CO 0.38 0.00 2.03 -1.13 -2.21 0.00 0.00 174.62 173.70 1wi6 h ASN 80 N 1.75 0.19 -0.28 8.08 -0.00 -1.96 -0.45 115.58 122.92 1wi6 h ASN 80 Ca -0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 55.83 1wi6 h ASN 80 Cb 1.24 -0.04 -0.02 0.00 -0.00 0.00 0.00 38.32 39.51 1wi6 h ASN 80 CO 0.81 0.12 0.10 -0.61 -0.00 0.00 0.00 177.43 177.85 1wi6 h GLN 81 N 0.21 0.50 -0.30 6.67 5.75 -1.97 -0.44 115.11 125.54 1wi6 h GLN 81 Ca 0.19 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 1wi6 h GLN 81 Cb 0.47 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 1wi6 h GLN 81 CO -0.03 0.46 0.09 1.49 -2.65 0.00 0.00 178.83 178.18 1wi6 h GLU 82 N 0.50 0.46 -0.35 1.69 4.81 -1.46 0.31 114.58 120.54 1wi6 h GLU 82 Ca 0.12 -0.10 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 1wi6 h GLU 82 Cb 0.17 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1wi6 h GLU 82 CO -0.01 0.52 -0.41 -0.39 -0.73 0.00 0.00 179.01 177.99 1wi6 h VAL 83 N 0.32 1.28 -0.15 0.32 -1.51 -1.45 -1.73 116.25 113.32 1wi6 h VAL 83 Ca 0.09 -1.59 -0.01 0.00 -1.23 0.00 0.00 66.70 63.96 1wi6 h VAL 83 Cb 0.26 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1wi6 h VAL 83 CO -0.00 0.53 0.04 0.45 -1.23 0.00 0.00 177.57 177.35 1wi6 h HIS 84 N 0.71 0.25 -0.57 5.19 3.86 -0.98 -1.53 115.15 122.07 1wi6 h HIS 84 Ca 0.05 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 1wi6 h HIS 84 Cb 1.00 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.37 1wi6 h HIS 84 CO 0.06 0.38 0.13 0.22 0.86 0.00 0.00 177.93 179.57 1wi6 h ASP 85 N 0.04 0.83 -0.56 2.45 3.58 -0.95 0.24 116.42 122.05 1wi6 h ASP 85 Ca 0.05 -0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.27 1wi6 h ASP 85 Cb 0.25 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1wi6 h ASP 85 CO 0.00 0.81 0.08 0.25 -2.88 0.00 0.00 179.24 177.50 1wi6 h LEU 86 N 0.84 0.94 -3.60 2.28 5.85 -1.15 -2.97 115.31 117.50 1wi6 h LEU 86 Ca 0.18 -0.22 -0.38 0.00 0.84 0.00 0.00 57.88 58.31 1wi6 h LEU 86 Cb 0.32 -0.25 -0.23 0.00 0.37 0.00 0.00 40.66 40.87 1wi6 h LEU 86 CO 0.00 0.95 -0.06 0.18 -0.34 0.00 0.00 178.44 179.17 1wi6 n LEU 87 N -4.22 5.10 -0.43 2.25 4.77 -0.59 -4.65 117.00 119.23 1wi6 n LEU 87 Ca 0.04 -4.11 0.01 0.00 -0.03 0.00 0.00 56.01 51.92 1wi6 n LEU 87 Cb 0.29 -0.64 0.04 0.00 -2.33 0.00 0.00 43.42 40.78 1wi6 n LEU 87 CO 0.42 1.50 0.42 -0.24 -1.33 0.00 0.00 177.39 178.17 1wi6 n SER 88 N -0.99 1.04 -0.00 -1.43 2.88 0.83 -3.06 113.62 112.88 1wi6 n SER 88 Ca 0.43 -2.06 0.06 0.00 -1.33 0.00 0.00 58.87 55.97 1wi6 n SER 88 Cb 0.99 -0.30 -0.09 0.00 -0.75 0.00 0.00 64.21 64.06 1wi6 n SER 88 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wi6 n ASP 89 N -0.08 1.82 -4.80 -3.46 8.00 -1.26 -5.02 116.55 111.76 1wi6 n ASP 89 Ca 0.03 -0.15 -0.29 0.00 0.71 0.00 0.00 54.79 55.09 1wi6 n ASP 89 Cb 0.23 1.46 -0.05 0.00 -0.02 0.00 0.00 41.12 42.73 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 -2.73 1.97 -0.51 1.24 1.51 -1.17 -5.08 117.35 112.57 1wi6 s TYR 90 Ca -0.03 -0.83 -0.26 0.00 -1.01 0.00 0.00 57.07 54.94 1wi6 s TYR 90 Cb 0.08 -1.79 0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1wi6 s TYR 90 CO 0.52 0.01 1.03 -1.21 -1.11 0.00 0.00 175.55 174.78 1wi6 s GLU 91 N -4.00 3.52 -0.84 -0.62 0.41 -1.26 -4.98 118.70 110.92 1wi6 s GLU 91 Ca 0.23 0.15 -0.22 0.00 -0.41 0.00 0.00 54.97 54.73 1wi6 s GLU 91 Cb 0.01 -3.97 0.08 0.00 -1.78 0.00 0.00 34.13 28.47 1wi6 s GLU 91 CO 0.14 -1.42 1.17 -0.51 -0.49 0.00 0.00 175.26 174.15 1wi6 s LEU 92 N 4.19 4.23 0.11 1.80 1.43 -1.26 -3.76 118.68 125.42 1wi6 s LEU 92 Ca 0.39 -1.36 -0.10 0.00 -1.03 0.00 0.00 54.13 52.04 1wi6 s LEU 92 Cb -0.09 -2.47 -0.14 0.00 0.03 0.00 0.00 46.19 43.52 1wi6 s LEU 92 CO 0.26 -1.39 1.29 0.11 0.23 0.00 0.00 176.35 176.84 1wi6 h LYS 93 N 9.45 0.63 -3.52 1.70 1.79 -1.84 -3.45 116.57 121.33 1wi6 h LYS 93 Ca -0.03 -0.60 -0.26 0.00 -2.18 0.00 0.00 60.65 57.58 1wi6 h LYS 93 Cb 1.04 0.15 -0.31 0.00 -1.58 0.00 0.00 32.23 31.53 1wi6 h LYS 93 CO 1.23 1.21 -0.68 -0.47 -1.08 0.00 0.00 179.45 179.65 1wi6 s TYR 94 N -3.49 -0.04 -0.08 -1.35 5.04 -1.13 -5.02 117.35 111.28 1wi6 s TYR 94 Ca -0.08 0.19 0.03 0.00 -2.44 0.00 0.00 57.07 54.76 1wi6 s TYR 94 Cb 0.08 -0.11 0.01 0.00 0.35 0.00 0.00 41.96 42.29 1wi6 s TYR 94 CO 0.89 -0.08 -0.18 0.00 -1.34 0.00 0.00 175.55 174.85 1wi6 s PHE 96 N 0.53 -0.06 -0.11 0.00 2.19 -0.42 -5.03 117.98 115.07 1wi6 s PHE 96 Ca -0.16 0.33 -0.00 0.00 0.33 0.00 0.00 56.93 57.42 1wi6 s PHE 96 Cb -0.17 -0.20 0.02 0.00 -1.31 0.00 0.00 43.02 41.37 1wi6 s PHE 96 CO 0.06 -0.15 -0.08 0.08 1.83 0.00 0.00 175.22 176.97 1wi6 s VAL 97 N 1.33 1.03 -0.35 3.12 1.01 -1.26 -1.13 120.40 124.15 1wi6 s VAL 97 Ca -0.07 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1wi6 s VAL 97 Cb -0.12 -1.05 0.09 0.00 0.00 0.00 0.00 36.38 35.30 1wi6 s VAL 97 CO -0.04 0.37 0.08 -0.62 0.00 0.00 0.00 175.10 174.88 1wi6 s ASP 98 N 1.71 4.92 0.12 3.32 -1.08 -0.38 -4.96 116.67 120.32 1wi6 s ASP 98 Ca 0.05 -1.91 -0.11 0.00 -0.52 0.00 0.00 52.55 50.05 1wi6 s ASP 98 Cb -0.13 -1.70 -0.10 0.00 -1.46 0.00 0.00 42.92 39.53 1wi6 s ASP 98 CO -0.08 -0.40 1.37 0.07 0.52 0.00 0.00 175.17 176.65 1wi6 h LYS 99 N 7.83 0.82 -0.01 4.34 2.10 -1.91 -1.24 116.57 128.50 1wi6 h LYS 99 Ca -0.11 -0.58 0.00 0.00 -2.00 0.00 0.00 60.65 57.96 1wi6 h LYS 99 Cb 1.04 0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1wi6 h LYS 99 CO 0.58 1.20 -0.01 1.88 -2.00 0.00 0.00 179.45 181.10 1wi6 h TYR 100 N 0.60 -0.04 -0.17 0.07 0.05 -1.93 -1.66 116.97 113.89 1wi6 h TYR 100 Ca -0.01 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.67 1wi6 h TYR 100 Cb 1.26 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.01 1wi6 h TYR 100 CO 0.08 -0.01 -0.30 0.87 -1.05 0.00 0.00 178.16 177.75 1wi6 h LYS 101 N -0.00 0.34 -0.08 4.88 1.79 -2.01 -3.47 116.57 118.01 1wi6 h LYS 101 Ca 0.00 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1wi6 h LYS 101 Cb 0.01 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1wi6 h LYS 101 CO -0.01 0.61 0.00 0.41 -1.08 0.00 0.00 179.45 179.37 1wi6 n GLY 102 N -0.37 1.42 3.19 3.86 0.00 -0.63 -4.91 105.19 107.75 1wi6 n GLY 102 Ca -0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.08 0.56 -0.03 2.61 -4.23 -0.55 -2.62 115.64 109.31 1wi6 s THR 103 Ca 0.00 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1wi6 s THR 103 Cb 0.00 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 71.97 1wi6 s THR 103 CO 0.00 -0.68 -0.06 0.00 -0.54 0.00 0.00 174.62 173.33 1wi6 s ALA 104 N -3.72 0.68 -0.16 3.99 0.00 -1.21 -1.25 121.76 120.07 1wi6 s ALA 104 Ca 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 1wi6 s ALA 104 Cb 0.06 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 1wi6 s ALA 104 CO -0.01 0.08 -0.13 -0.06 0.00 0.00 0.00 175.76 175.64 1wi6 s PHE 105 N 0.34 2.82 -0.02 0.00 0.08 -0.28 -2.55 117.98 118.37 1wi6 s PHE 105 Ca -0.05 -1.01 0.03 0.00 0.12 0.00 0.00 56.93 56.03 1wi6 s PHE 105 Cb -0.09 -1.92 -0.00 0.00 -0.57 0.00 0.00 43.02 40.44 1wi6 s PHE 105 CO 0.00 -0.47 -0.11 0.08 -0.10 0.00 0.00 175.22 174.62 1wi6 s VAL 106 N 0.89 0.90 -0.25 -0.44 1.01 -1.20 -1.31 120.40 120.00 1wi6 s VAL 106 Ca -0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1wi6 s VAL 106 Cb -0.15 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1wi6 s VAL 106 CO -0.01 0.26 -0.04 -0.89 0.00 0.00 0.00 175.10 174.43 1wi6 s THR 107 N -0.08 3.06 0.86 3.92 2.01 -0.93 -0.25 115.64 124.22 1wi6 s THR 107 Ca 0.01 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 60.99 1wi6 s THR 107 Cb -0.06 -2.55 0.18 0.00 0.01 0.00 0.00 72.50 70.08 1wi6 s THR 107 CO 0.00 0.19 1.17 -0.76 -0.69 0.00 0.00 174.62 174.54 1wi6 s LEU 108 N 1.36 2.85 0.00 4.42 1.43 -1.26 -2.85 118.68 124.63 1wi6 s LEU 108 Ca 0.01 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1wi6 s LEU 108 Cb -0.17 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1wi6 s LEU 108 CO -0.03 -2.41 0.36 -0.11 0.23 0.00 0.00 176.35 174.38 1wi6 n LEU 109 N -3.33 0.32 0.00 1.79 7.94 -1.25 -4.82 117.00 117.65 1wi6 n LEU 109 Ca 0.17 0.61 -0.16 0.00 -1.11 0.00 0.00 56.01 55.52 1wi6 n LEU 109 Cb 0.60 -0.41 0.04 0.00 0.53 0.00 0.00 43.42 44.17 1wi6 n LEU 109 CO 0.42 -0.41 0.20 -0.46 -1.11 0.00 0.00 177.39 176.03 1wi6 n ASN 110 N -1.74 1.76 0.18 1.96 0.23 -1.26 -5.00 115.26 111.39 1wi6 n ASN 110 Ca 0.00 -2.20 0.11 0.00 -0.53 0.00 0.00 54.58 51.96 1wi6 n ASN 110 Cb 0.00 -0.23 0.11 0.00 -2.08 0.00 0.00 39.78 37.59 1wi6 n ASN 110 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1wi6 h GLY 111 N 0.19 0.00 0.92 4.83 0.00 -1.92 -3.31 103.07 103.77 1wi6 h GLY 111 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1wi6 h GLY 111 CO 0.32 0.00 0.10 0.83 0.00 0.00 0.00 176.54 177.79 1wi6 h GLU 112 N 0.00 0.32 -0.31 4.80 5.08 -1.99 -1.32 114.58 121.16 1wi6 h GLU 112 Ca -0.00 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1wi6 h GLU 112 Cb 1.03 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1wi6 h GLU 112 CO 0.00 0.34 -0.06 1.96 -1.00 0.00 0.00 179.01 180.25 1wi6 h GLN 113 N 0.22 0.50 -0.21 2.33 4.20 -1.99 -1.91 115.11 118.25 1wi6 h GLN 113 Ca 0.08 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1wi6 h GLN 113 Cb 0.13 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1wi6 h GLN 113 CO -0.01 0.57 -0.00 0.00 -0.67 0.00 0.00 178.83 178.72 1wi6 h ALA 114 N 1.47 0.28 -0.32 3.87 0.00 -1.57 -1.14 119.26 121.84 1wi6 h ALA 114 Ca 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1wi6 h ALA 114 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wi6 h ALA 114 CO 0.02 0.00 0.14 1.49 0.00 0.00 0.00 179.25 180.90 1wi6 h GLU 115 N 0.13 0.48 -0.54 0.00 4.81 -1.07 0.63 114.58 119.02 1wi6 h GLU 115 Ca 0.06 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1wi6 h GLU 115 Cb 0.40 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1wi6 h GLU 115 CO 0.01 0.47 0.32 0.00 -0.73 0.00 0.00 179.01 179.09 1wi6 h ALA 116 N 0.98 0.69 -0.37 2.92 0.00 -1.33 0.32 119.26 122.48 1wi6 h ALA 116 Ca 0.11 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1wi6 h ALA 116 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1wi6 h ALA 116 CO -0.01 0.17 -0.01 0.00 0.00 0.00 0.00 179.25 179.40 1wi6 h ALA 117 N 1.16 0.50 -0.54 0.00 0.00 -1.04 -2.60 119.26 116.73 1wi6 h ALA 117 Ca 0.19 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1wi6 h ALA 117 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1wi6 h ALA 117 CO -0.04 0.28 -0.11 0.82 0.00 0.00 0.00 179.25 180.20 1wi6 h ILE 118 N 0.47 1.27 -0.42 0.00 2.04 -0.65 0.30 117.51 120.52 1wi6 h ILE 118 Ca 0.10 -1.28 0.04 0.00 1.00 0.00 0.00 64.86 64.73 1wi6 h ILE 118 Cb 0.48 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1wi6 h ILE 118 CO 0.02 0.45 0.19 -1.13 0.00 0.00 0.00 178.15 177.68 1wi6 h ASN 119 N 0.91 0.25 0.01 1.72 -0.73 -0.28 0.87 115.58 118.35 1wi6 h ASN 119 Ca 0.14 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.30 1wi6 h ASN 119 Cb 0.69 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.27 1wi6 h ASN 119 CO 0.05 0.19 -0.17 0.74 -0.37 0.00 0.00 177.43 177.87 1wi6 h THR 120 N 0.39 1.64 0.00 -3.57 2.02 -1.39 -3.28 112.91 108.72 1wi6 h THR 120 Ca 0.19 -2.11 -0.02 0.00 0.77 0.00 0.00 66.41 65.24 1wi6 h THR 120 Cb 0.12 3.04 -0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1wi6 h THR 120 CO -0.15 0.56 -0.08 -0.26 0.37 0.00 0.00 175.52 175.96 1wi6 h PHE 121 N -0.72 0.00 -4.04 3.16 0.04 -0.33 -3.40 116.94 111.66 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 1.01 0.00 0.15 0.00 2.20 0.00 0.00 35.95 39.31 1wi6 h PHE 121 CO 0.22 0.08 0.24 -1.58 -0.60 0.00 0.00 178.31 176.67 1wi6 s HIS 122 N -4.72 2.30 -0.42 -0.55 5.65 0.30 -3.38 115.29 114.47 1wi6 s HIS 122 Ca -0.04 1.09 -0.05 0.00 0.25 0.00 0.00 55.06 56.30 1wi6 s HIS 122 Cb 0.16 -3.23 0.05 0.00 -1.18 0.00 0.00 32.58 28.39 1wi6 s HIS 122 CO 0.65 -2.53 0.13 0.00 -0.65 0.00 0.00 174.74 172.34 1wi6 n GLN 123 N -3.94 -1.96 -3.12 2.88 -0.00 -1.26 -4.84 117.38 105.14 1wi6 n GLN 123 Ca 0.06 0.03 -0.18 0.00 -0.00 0.00 0.00 57.00 56.91 1wi6 n GLN 123 Cb 0.57 -3.35 0.01 0.00 -0.00 0.00 0.00 30.24 27.47 1wi6 n GLN 123 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1wi6 s SER 124 N -1.83 5.45 0.03 2.61 1.04 -1.22 -4.98 113.70 114.81 1wi6 s SER 124 Ca 0.19 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 56.08 1wi6 s SER 124 Cb -0.11 -0.47 -0.02 0.00 0.10 0.00 0.00 66.02 65.52 1wi6 s SER 124 CO 0.23 -0.84 -0.06 -0.13 0.98 0.00 0.00 173.24 173.42 1wi6 s ARG 125 N -4.36 0.46 -0.01 4.02 0.52 -1.26 -1.35 118.95 116.97 1wi6 s ARG 125 Ca 0.54 -0.62 -0.00 0.00 -0.52 0.00 0.00 55.73 55.13 1wi6 s ARG 125 Cb -0.08 -0.24 0.01 0.00 0.52 0.00 0.00 34.95 35.16 1wi6 s ARG 125 CO 0.33 0.04 0.02 -1.17 0.02 0.00 0.00 175.30 174.54 1wi6 s LEU 126 N -1.28 1.55 -1.69 2.53 2.96 0.07 -4.86 118.68 117.95 1wi6 s LEU 126 Ca -0.09 0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.72 1wi6 s LEU 126 Cb -0.08 -0.03 0.12 0.00 0.50 0.00 0.00 46.19 46.70 1wi6 s LEU 126 CO 0.00 -0.06 0.41 0.54 -1.32 0.00 0.00 176.35 175.92 1wi6 n ARG 127 N 3.61 -1.46 -3.13 1.98 5.12 -1.26 -0.42 116.66 121.10 1wi6 n ARG 127 Ca -0.20 0.19 -0.14 0.00 -1.93 0.00 0.00 57.85 55.77 1wi6 n ARG 127 Cb 0.55 -4.37 0.07 0.00 -1.16 0.00 0.00 32.46 27.55 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 -4.33 -4.12 -3.70 5.56 -0.58 -1.26 -5.04 120.64 107.18 1wi6 n GLU 128 Ca -0.09 0.74 -0.14 0.00 -0.42 0.00 0.00 57.16 57.25 1wi6 n GLU 128 Cb 0.57 -5.32 -0.09 0.00 -0.57 0.00 0.00 31.44 26.03 1wi6 n GLU 128 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1wi6 s ARG 129 N -4.76 0.66 -0.03 3.49 1.04 0.44 -5.14 118.95 114.64 1wi6 s ARG 129 Ca 0.17 0.41 -0.30 0.00 -1.04 0.00 0.00 55.73 54.97 1wi6 s ARG 129 Cb -0.02 0.31 -0.02 0.00 -2.04 0.00 0.00 34.95 33.17 1wi6 s ARG 129 CO 0.63 -0.13 0.99 -1.83 -0.04 0.00 0.00 175.30 174.92 1wi6 s GLU 130 N -0.32 4.52 -0.15 3.89 -1.05 -1.26 -0.75 118.70 123.58 1wi6 s GLU 130 Ca -0.05 1.41 -0.04 0.00 -0.15 0.00 0.00 54.97 56.15 1wi6 s GLU 130 Cb -0.03 -3.48 -0.03 0.00 -0.44 0.00 0.00 34.13 30.14 1wi6 s GLU 130 CO 0.03 -0.13 -0.03 -0.51 0.95 0.00 0.00 175.26 175.57 1wi6 s LEU 131 N 1.31 3.29 -0.23 1.83 1.43 -0.46 -4.89 118.68 120.97 1wi6 s LEU 131 Ca 0.51 -0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.43 1wi6 s LEU 131 Cb -0.20 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1wi6 s LEU 131 CO 0.25 0.19 0.08 -0.44 0.23 0.00 0.00 176.35 176.65 1wi6 s SER 132 N 0.26 5.38 -0.00 2.29 0.01 -1.09 -3.90 113.70 116.65 1wi6 s SER 132 Ca -0.02 -0.08 0.05 0.00 1.31 0.00 0.00 55.95 57.20 1wi6 s SER 132 Cb -0.14 -1.95 -0.01 0.00 0.21 0.00 0.00 66.02 64.13 1wi6 s SER 132 CO 0.03 0.04 -0.16 -0.69 0.41 0.00 0.00 173.24 172.88 1wi6 s VAL 133 N 1.15 1.23 0.16 3.43 1.01 -1.26 -0.57 120.40 125.54 1wi6 s VAL 133 Ca 0.05 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 1wi6 s VAL 133 Cb -0.14 -1.03 0.04 0.00 0.00 0.00 0.00 36.38 35.25 1wi6 s VAL 133 CO 0.03 0.30 0.49 0.00 0.00 0.00 0.00 175.10 175.93 1wi6 s GLN 134 N -0.47 1.22 0.38 2.72 -2.07 -0.70 -4.83 119.66 115.90 1wi6 s GLN 134 Ca 0.06 -0.71 -0.27 0.00 -1.82 0.00 0.00 55.36 52.61 1wi6 s GLN 134 Cb -0.06 0.51 -0.10 0.00 -1.09 0.00 0.00 33.01 32.28 1wi6 s GLN 134 CO -0.00 -0.51 1.34 -0.51 -1.32 0.00 0.00 175.29 174.29 1wi6 s LEU 135 N -2.82 4.30 0.31 2.60 1.43 -1.26 -1.15 118.68 122.09 1wi6 s LEU 135 Ca 0.05 2.74 -0.28 0.00 -1.03 0.00 0.00 54.13 55.60 1wi6 s LEU 135 Cb 0.00 -3.78 -0.13 0.00 0.03 0.00 0.00 46.19 42.31 1wi6 s LEU 135 CO -0.09 -0.76 1.22 1.67 0.23 0.00 0.00 176.35 178.62 1wi6 n GLN 136 N 0.39 1.89 -2.25 1.70 7.27 -0.68 -4.73 117.38 120.96 1wi6 n GLN 136 Ca 0.02 0.66 -0.39 0.00 0.07 0.00 0.00 57.00 57.37 1wi6 n GLN 136 Cb 0.42 -2.20 -0.02 0.00 2.41 0.00 0.00 30.24 30.86 1wi6 n GLN 136 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1wi6 s PRO 137 N -1.60 4.13 0.35 3.69 0.04 -1.26 -4.80 135.00 135.55 1wi6 s PRO 137 Ca 0.58 1.92 0.18 0.00 0.04 0.00 0.00 61.00 63.73 1wi6 s PRO 137 Cb -0.62 -2.78 0.53 0.00 0.04 0.00 0.00 34.50 31.67 1wi6 s PRO 137 CO 0.60 -0.28 1.66 0.00 0.04 0.00 0.00 177.00 179.02 1wi6 h THR 138 N 2.50 0.85 -1.50 1.26 1.03 -2.02 -3.24 112.91 111.77 1wi6 h THR 138 Ca -0.49 -1.69 -0.64 0.00 -0.01 0.00 0.00 66.41 63.59 1wi6 h THR 138 Cb 1.23 2.06 -0.23 0.00 -1.07 0.00 0.00 68.15 70.14 1wi6 h THR 138 CO 0.63 0.39 0.75 0.47 -0.01 0.00 0.00 175.52 177.75 1wi6 n ASP 139 N -3.43 7.06 -0.03 0.00 8.00 -1.26 -4.43 116.55 122.46 1wi6 n ASP 139 Ca 0.00 -3.54 -0.21 0.00 0.71 0.00 0.00 54.79 51.75 1wi6 n ASP 139 Cb 0.57 -1.13 -0.13 0.00 -0.02 0.00 0.00 41.12 40.40 1wi6 n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wi6 n ALA 140 N 0.07 1.00 -0.03 2.24 0.00 -1.23 -4.73 120.51 117.84 1wi6 n ALA 140 Ca 0.51 -0.70 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 1wi6 n ALA 140 Cb 0.40 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 1wi6 n ALA 140 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wi6 n LEU 141 N -3.46 2.87 -3.86 0.00 0.00 -1.26 -5.03 117.00 106.25 1wi6 n LEU 141 Ca -0.35 -0.02 -0.26 0.00 0.00 0.00 0.00 56.01 55.37 1wi6 n LEU 141 Cb 1.03 -0.18 0.02 0.00 0.00 0.00 0.00 43.42 44.28 1wi6 n LEU 141 CO 0.39 0.57 -0.02 0.18 0.00 0.00 0.00 177.39 178.51 1wi6 n LEU 142 N -2.68 -2.66 -0.34 -1.96 4.77 -1.26 -4.81 117.00 108.05 1wi6 n LEU 142 Ca -0.09 -0.84 0.20 0.00 -0.03 0.00 0.00 56.01 55.24 1wi6 n LEU 142 Cb 0.60 -2.52 0.39 0.00 -2.33 0.00 0.00 43.42 39.55 1wi6 n LEU 142 CO 0.05 0.43 0.87 0.00 -1.33 0.00 0.00 177.39 177.41 1wi6 s SER 144 N -4.85 6.74 0.00 0.00 1.04 -1.26 -4.85 113.70 110.51 1wi6 s SER 144 Ca -0.12 2.38 0.00 0.00 0.48 0.00 0.00 55.95 58.69 1wi6 s SER 144 Cb 0.31 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1wi6 s SER 144 CO 0.77 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1wi6 n GLY 145 N 3.68 -0.26 0.00 7.32 0.00 -1.26 -4.88 105.19 109.78 1wi6 n GLY 145 Ca 0.13 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1wi6 n GLY 145 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wi6 n PRO 146 N -1.91 0.48 -4.23 1.61 -0.04 -1.26 -4.73 135.00 124.93 1wi6 n PRO 146 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 1wi6 n PRO 146 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 1wi6 n PRO 146 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wi6 s SER 147 N -1.99 4.92 0.00 3.54 0.01 -1.26 -5.07 113.70 113.85 1wi6 s SER 147 Ca 0.23 -0.49 -0.06 0.00 1.31 0.00 0.00 55.95 56.94 1wi6 s SER 147 Cb 0.11 -1.06 -0.02 0.00 0.21 0.00 0.00 66.02 65.25 1wi6 s SER 147 CO 0.18 -0.01 -0.12 -1.20 0.41 0.00 0.00 173.24 172.49 1wi6 n SER 148 N -0.99 1.40 0.00 2.44 7.64 -1.26 -5.04 113.62 117.82 1wi6 n SER 148 Ca -0.07 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1wi6 n SER 148 Cb 0.58 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1wi6 n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64