#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi6 h SER 63 N 0.00 -0.12 -5.28 1.61 0.02 -2.01 -3.43 113.55 104.34 1wi6 h SER 63 Ca 0.00 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 60.61 1wi6 h SER 63 Cb 0.00 0.03 -0.11 0.00 0.14 0.00 0.00 62.40 62.46 1wi6 h SER 63 CO 0.00 0.47 -0.24 -0.94 -1.14 0.00 0.00 176.83 174.98 1wi6 s SER 64 N -5.54 -0.03 0.00 3.07 1.04 -1.26 -3.05 113.70 107.92 1wi6 s SER 64 Ca -0.07 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1wi6 s SER 64 Cb -0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1wi6 s SER 64 CO 0.27 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1wi6 n GLY 65 N -0.31 1.92 3.74 7.32 0.00 -1.26 -5.06 105.19 111.54 1wi6 n GLY 65 Ca -0.03 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 4.97 0.64 1.61 1.04 -1.26 -4.79 113.70 115.91 1wi6 s SER 66 Ca 0.00 2.74 -0.18 0.00 0.48 0.00 0.00 55.95 58.99 1wi6 s SER 66 Cb 0.00 -2.63 -0.14 0.00 0.10 0.00 0.00 66.02 63.35 1wi6 s SER 66 CO 0.00 -1.77 -0.18 -1.54 0.98 0.00 0.00 173.24 170.73 1wi6 n SER 67 N -1.39 -3.82 0.00 7.02 3.41 -1.26 -4.82 113.62 112.76 1wi6 n SER 67 Ca 0.13 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1wi6 n SER 67 Cb 0.46 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1wi6 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wi6 n GLY 68 N 2.60 4.85 3.16 5.00 0.00 -1.26 -4.65 105.19 114.89 1wi6 n GLY 68 Ca 0.06 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.51 0.42 -0.04 -0.61 -5.25 -0.75 -2.90 121.20 110.56 1wi6 s ILE 69 Ca 0.00 -1.91 -0.01 0.00 -0.99 0.00 0.00 60.65 57.74 1wi6 s ILE 69 Cb 0.00 -1.82 0.03 0.00 2.95 0.00 0.00 42.46 43.62 1wi6 s ILE 69 CO 0.00 -0.72 0.07 -0.22 -1.79 0.00 0.00 174.94 172.28 1wi6 s LEU 70 N -3.04 0.74 0.05 0.37 2.96 -0.01 -3.59 118.68 116.15 1wi6 s LEU 70 Ca 0.16 0.13 0.08 0.00 -0.22 0.00 0.00 54.13 54.28 1wi6 s LEU 70 Cb 0.07 0.04 -0.03 0.00 0.50 0.00 0.00 46.19 46.77 1wi6 s LEU 70 CO -0.03 -0.16 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.99 1wi6 s ILE 71 N 1.39 2.50 -0.04 6.68 1.01 -1.18 -1.55 121.20 130.01 1wi6 s ILE 71 Ca -0.06 -1.30 0.02 0.00 0.00 0.00 0.00 60.65 59.31 1wi6 s ILE 71 Cb -0.12 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.34 1wi6 s ILE 71 CO -0.04 0.34 -0.06 -0.13 0.00 0.00 0.00 174.94 175.05 1wi6 s ARG 72 N -1.39 0.89 0.00 2.79 0.52 0.27 -3.36 118.95 118.67 1wi6 s ARG 72 Ca 0.13 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 1wi6 s ARG 72 Cb -0.10 -0.85 0.00 0.00 0.52 0.00 0.00 34.95 34.52 1wi6 s ARG 72 CO 0.04 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.76 1wi6 n GLY 73 N 3.77 0.51 3.90 -3.53 0.00 -1.07 -2.22 105.19 106.54 1wi6 n GLY 73 Ca -0.23 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.74 4.12 0.91 0.99 1.43 -1.01 -4.80 118.68 119.58 1wi6 s LEU 74 Ca 0.00 0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 53.72 1wi6 s LEU 74 Cb 0.00 -3.52 0.14 0.00 0.03 0.00 0.00 46.19 42.84 1wi6 s LEU 74 CO 0.00 -0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.39 1wi6 s PRO 75 N -3.23 1.16 0.24 1.29 0.04 -1.26 -4.93 135.00 128.30 1wi6 s PRO 75 Ca 0.44 0.78 0.23 0.00 0.04 0.00 0.00 61.00 62.49 1wi6 s PRO 75 Cb -0.11 -1.80 0.95 0.00 0.04 0.00 0.00 34.50 33.58 1wi6 s PRO 75 CO 0.27 -2.30 1.70 0.41 0.04 0.00 0.00 177.00 177.12 1wi6 n GLY 76 N -1.13 -1.28 0.88 0.56 0.00 -1.26 -2.30 105.19 100.66 1wi6 n GLY 76 Ca 0.07 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1wi6 n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wi6 n ASP 77 N -2.18 3.44 -4.64 1.61 2.03 -1.26 -5.00 116.55 110.54 1wi6 n ASP 77 Ca 0.02 -3.19 -0.43 0.00 0.52 0.00 0.00 54.79 51.72 1wi6 n ASP 77 Cb 0.24 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 40.06 1wi6 n ASP 77 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wi6 s VAL 78 N -2.93 3.67 0.26 5.18 0.11 -0.97 -5.00 120.40 120.73 1wi6 s VAL 78 Ca 0.42 0.79 0.12 0.00 -2.93 0.00 0.00 61.98 60.37 1wi6 s VAL 78 Cb 0.35 -3.60 -0.05 0.00 -1.53 0.00 0.00 36.38 31.55 1wi6 s VAL 78 CO 0.06 -0.17 -0.20 0.28 -3.33 0.00 0.00 175.10 171.74 1wi6 s THR 79 N 4.63 2.49 0.50 5.04 -1.32 -1.26 -5.00 115.64 120.72 1wi6 s THR 79 Ca 0.72 -2.33 0.24 0.00 -1.21 0.00 0.00 61.69 59.11 1wi6 s THR 79 Cb -0.29 -2.29 0.40 0.00 -1.51 0.00 0.00 72.50 68.81 1wi6 s THR 79 CO 0.28 -0.35 1.96 -0.55 -2.21 0.00 0.00 174.62 173.75 1wi6 h ASN 80 N 2.42 0.10 -0.06 8.08 -1.07 -1.98 0.14 115.58 123.22 1wi6 h ASN 80 Ca -0.41 0.01 -0.09 0.00 0.07 0.00 0.00 56.30 55.88 1wi6 h ASN 80 Cb 1.25 -0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 37.47 1wi6 h ASN 80 CO 0.58 0.05 -0.21 -0.61 0.07 0.00 0.00 177.43 177.31 1wi6 h GLN 81 N 0.11 0.45 -0.31 4.14 5.75 -1.98 -1.14 115.11 122.13 1wi6 h GLN 81 Ca 0.31 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1wi6 h GLN 81 Cb 1.07 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 1wi6 h GLN 81 CO -0.04 0.65 0.07 1.49 -2.65 0.00 0.00 178.83 178.36 1wi6 h GLU 82 N 0.41 0.49 -0.37 1.69 4.57 -1.11 -0.08 114.58 120.18 1wi6 h GLU 82 Ca 0.07 -0.12 -0.16 0.00 -1.18 0.00 0.00 59.36 57.97 1wi6 h GLU 82 Cb 0.60 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1wi6 h GLU 82 CO 0.04 0.56 -0.38 -0.39 -1.18 0.00 0.00 179.01 177.66 1wi6 h VAL 83 N 0.33 1.27 -0.15 0.32 -1.51 -1.39 -1.51 116.25 113.61 1wi6 h VAL 83 Ca 0.10 -1.55 -0.01 0.00 -1.23 0.00 0.00 66.70 64.00 1wi6 h VAL 83 Cb 0.29 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 1wi6 h VAL 83 CO 0.00 0.52 0.04 0.45 -1.23 0.00 0.00 177.57 177.35 1wi6 h HIS 84 N 0.73 0.25 -0.51 5.19 3.86 -1.11 -1.88 115.15 121.68 1wi6 h HIS 84 Ca 0.06 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1wi6 h HIS 84 Cb 0.96 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.34 1wi6 h HIS 84 CO 0.06 0.37 0.03 0.22 0.86 0.00 0.00 177.93 179.47 1wi6 h ASP 85 N 0.06 0.80 -0.77 2.45 3.58 -1.01 0.83 116.42 122.36 1wi6 h ASP 85 Ca 0.05 -0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.28 1wi6 h ASP 85 Cb 0.24 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 1wi6 h ASP 85 CO -0.00 0.84 0.36 0.25 -2.88 0.00 0.00 179.24 177.81 1wi6 h LEU 86 N 0.79 1.03 -3.29 2.28 5.85 -1.11 -2.95 115.31 117.91 1wi6 h LEU 86 Ca 0.16 -0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1wi6 h LEU 86 Cb 0.42 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 1wi6 h LEU 86 CO 0.02 0.89 -0.20 0.18 -0.34 0.00 0.00 178.44 178.99 1wi6 n LEU 87 N -4.35 3.85 -0.02 2.25 4.77 -0.72 -4.68 117.00 118.09 1wi6 n LEU 87 Ca 0.07 -3.86 -0.16 0.00 -0.03 0.00 0.00 56.01 52.03 1wi6 n LEU 87 Cb 0.15 -0.61 -0.09 0.00 -2.33 0.00 0.00 43.42 40.54 1wi6 n LEU 87 CO 0.40 1.34 0.35 0.77 -1.33 0.00 0.00 177.39 178.92 1wi6 h SER 88 N 1.04 0.59 -0.99 -1.43 4.64 0.88 -3.24 113.55 115.04 1wi6 h SER 88 Ca 0.18 -0.66 0.36 0.00 -0.47 0.00 0.00 61.79 61.20 1wi6 h SER 88 Cb 1.50 -0.18 -0.17 0.00 -0.31 0.00 0.00 62.40 63.24 1wi6 h SER 88 CO 0.32 1.16 0.45 0.44 -0.87 0.00 0.00 176.83 178.33 1wi6 h ASP 89 N 0.07 0.22 -2.89 4.97 5.19 -1.83 -3.40 116.42 118.75 1wi6 h ASP 89 Ca -0.04 0.24 -0.46 0.00 -0.62 0.00 0.00 57.03 56.15 1wi6 h ASP 89 Cb 1.16 0.27 0.11 0.00 0.18 0.00 0.00 39.33 41.05 1wi6 h ASP 89 CO 0.10 -0.34 0.22 -0.31 -3.12 0.00 0.00 179.24 175.79 1wi6 s TYR 90 N -5.66 1.72 -0.48 4.55 1.51 -1.22 -5.03 117.35 112.74 1wi6 s TYR 90 Ca -0.10 -0.02 -0.24 0.00 -1.01 0.00 0.00 57.07 55.70 1wi6 s TYR 90 Cb 0.32 -3.36 0.03 0.00 -0.11 0.00 0.00 41.96 38.84 1wi6 s TYR 90 CO 0.78 -1.97 0.85 -1.21 -1.11 0.00 0.00 175.55 172.89 1wi6 s GLU 91 N -5.38 3.40 -0.81 -0.62 8.01 -1.26 -4.99 118.70 117.04 1wi6 s GLU 91 Ca 0.68 -0.13 -0.23 0.00 0.01 0.00 0.00 54.97 55.31 1wi6 s GLU 91 Cb -0.05 -3.98 0.07 0.00 -4.31 0.00 0.00 34.13 25.86 1wi6 s GLU 91 CO 0.47 -1.25 1.16 -0.51 0.01 0.00 0.00 175.26 175.14 1wi6 s LEU 92 N 3.55 4.12 0.09 1.80 1.43 -1.26 -3.70 118.68 124.71 1wi6 s LEU 92 Ca 0.31 -1.21 -0.09 0.00 -1.03 0.00 0.00 54.13 52.10 1wi6 s LEU 92 Cb -0.12 -2.47 -0.20 0.00 0.03 0.00 0.00 46.19 43.43 1wi6 s LEU 92 CO 0.22 -1.45 1.21 0.11 0.23 0.00 0.00 176.35 176.67 1wi6 h LYS 93 N 9.54 0.52 -3.73 1.70 1.79 -1.86 -3.45 116.57 121.08 1wi6 h LYS 93 Ca -0.09 -0.62 -0.32 0.00 -2.18 0.00 0.00 60.65 57.44 1wi6 h LYS 93 Cb 1.04 0.19 -0.33 0.00 -1.58 0.00 0.00 32.23 31.56 1wi6 h LYS 93 CO 1.23 1.24 -0.74 -0.47 -1.08 0.00 0.00 179.45 179.64 1wi6 s TYR 94 N -3.13 0.23 -0.10 -1.35 5.04 -1.18 -5.03 117.35 111.83 1wi6 s TYR 94 Ca -0.07 0.02 0.03 0.00 -2.44 0.00 0.00 57.07 54.61 1wi6 s TYR 94 Cb 0.07 -0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.07 1wi6 s TYR 94 CO 0.90 -0.10 -0.21 0.00 -1.34 0.00 0.00 175.55 174.80 1wi6 s PHE 96 N 0.51 -0.09 -0.17 0.00 2.19 -0.65 -5.04 117.98 114.74 1wi6 s PHE 96 Ca -0.16 0.46 0.01 0.00 0.33 0.00 0.00 56.93 57.57 1wi6 s PHE 96 Cb -0.17 -0.32 0.03 0.00 -1.31 0.00 0.00 43.02 41.24 1wi6 s PHE 96 CO 0.06 -0.23 -0.14 0.08 1.83 0.00 0.00 175.22 176.82 1wi6 s VAL 97 N 2.12 1.64 -0.45 3.12 1.01 -1.26 -1.13 120.40 125.45 1wi6 s VAL 97 Ca 0.02 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1wi6 s VAL 97 Cb -0.12 -1.59 0.12 0.00 0.00 0.00 0.00 36.38 34.79 1wi6 s VAL 97 CO -0.05 0.38 0.21 -0.62 0.00 0.00 0.00 175.10 175.02 1wi6 s ASP 98 N 1.44 4.87 0.14 3.32 -1.08 -0.77 -4.95 116.67 119.64 1wi6 s ASP 98 Ca 0.03 -2.45 -0.12 0.00 -0.52 0.00 0.00 52.55 49.50 1wi6 s ASP 98 Cb -0.14 -1.72 -0.01 0.00 -1.46 0.00 0.00 42.92 39.59 1wi6 s ASP 98 CO -0.10 -0.39 1.53 0.07 0.52 0.00 0.00 175.17 176.81 1wi6 h LYS 99 N 7.37 0.90 -0.15 4.34 2.10 -1.95 -1.89 116.57 127.28 1wi6 h LYS 99 Ca -0.07 -0.37 0.01 0.00 -2.00 0.00 0.00 60.65 58.22 1wi6 h LYS 99 Cb 0.99 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.26 1wi6 h LYS 99 CO 0.64 1.02 -0.09 0.66 -2.00 0.00 0.00 179.45 179.68 1wi6 n TYR 100 N -4.21 -0.06 -0.10 0.07 4.01 -1.26 -1.05 117.16 114.55 1wi6 n TYR 100 Ca -0.01 0.18 -0.08 0.00 -0.16 0.00 0.00 57.90 57.84 1wi6 n TYR 100 Cb 0.42 -0.49 0.09 0.00 -0.31 0.00 0.00 39.34 39.05 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 0.81 0.00 -0.72 1.79 -2.01 -3.47 116.57 112.97 1wi6 h LYS 101 Ca 0.02 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1wi6 h LYS 101 Cb 0.06 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1wi6 h LYS 101 CO -0.14 0.93 0.00 0.41 -1.08 0.00 0.00 179.45 179.57 1wi6 n GLY 102 N -0.29 1.88 3.36 3.86 0.00 -0.21 -4.93 105.19 108.86 1wi6 n GLY 102 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.75 -0.05 2.61 -4.23 -0.80 -2.39 115.64 109.53 1wi6 s THR 103 Ca 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1wi6 s THR 103 Cb 0.00 -2.68 0.04 0.00 1.34 0.00 0.00 72.50 71.19 1wi6 s THR 103 CO 0.00 0.00 0.10 0.00 -0.54 0.00 0.00 174.62 174.18 1wi6 s ALA 104 N -3.60 -0.12 -0.19 3.99 0.00 -1.21 -1.85 121.76 118.78 1wi6 s ALA 104 Ca 0.37 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.83 1wi6 s ALA 104 Cb 0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1wi6 s ALA 104 CO 0.14 -0.17 -0.05 -0.06 0.00 0.00 0.00 175.76 175.62 1wi6 s PHE 105 N 1.22 2.95 -0.04 0.00 0.08 -0.29 -3.11 117.98 118.81 1wi6 s PHE 105 Ca -0.08 -0.69 0.02 0.00 0.12 0.00 0.00 56.93 56.30 1wi6 s PHE 105 Cb -0.12 -2.02 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 1wi6 s PHE 105 CO -0.05 -0.34 -0.07 0.08 -0.10 0.00 0.00 175.22 174.74 1wi6 s VAL 106 N 0.97 0.70 -0.26 -0.44 1.01 -1.24 -1.64 120.40 119.51 1wi6 s VAL 106 Ca -0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1wi6 s VAL 106 Cb -0.15 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1wi6 s VAL 106 CO 0.01 0.24 0.08 -0.89 0.00 0.00 0.00 175.10 174.54 1wi6 s THR 107 N 0.52 4.30 0.87 3.92 2.01 -1.02 -1.81 115.64 124.44 1wi6 s THR 107 Ca -0.08 -0.25 -0.08 0.00 0.31 0.00 0.00 61.69 61.58 1wi6 s THR 107 Cb -0.12 -3.05 0.19 0.00 0.01 0.00 0.00 72.50 69.53 1wi6 s THR 107 CO 0.01 0.28 1.19 -0.76 -0.69 0.00 0.00 174.62 174.65 1wi6 s LEU 108 N 1.60 2.85 -0.06 4.42 1.43 -1.26 -3.08 118.68 124.57 1wi6 s LEU 108 Ca 0.06 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1wi6 s LEU 108 Cb -0.16 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1wi6 s LEU 108 CO 0.04 -2.46 0.13 0.25 0.23 0.00 0.00 176.35 174.54 1wi6 h LEU 109 N -1.19 -0.08-10.43 1.79 5.85 -1.97 -3.44 115.31 105.84 1wi6 h LEU 109 Ca -0.39 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 57.79 1wi6 h LEU 109 Cb 1.24 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1wi6 h LEU 109 CO 0.34 0.29 -0.24 0.20 -0.34 0.00 0.00 178.44 178.69 1wi6 s ASN 110 N -4.80 4.83 0.08 1.25 0.01 -1.26 -4.75 114.94 110.30 1wi6 s ASN 110 Ca -0.01 -1.07 0.05 0.00 -0.71 0.00 0.00 52.86 51.11 1wi6 s ASN 110 Cb 0.00 0.29 -0.23 0.00 0.41 0.00 0.00 41.25 41.72 1wi6 s ASN 110 CO 0.04 -1.14 1.14 1.23 -1.51 0.00 0.00 177.10 176.86 1wi6 h GLY 111 N 0.58 0.08 0.83 0.66 0.00 -1.93 -3.30 103.07 100.00 1wi6 h GLY 111 Ca -0.35 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 46.81 1wi6 h GLY 111 CO 0.52 0.18 0.38 0.83 0.00 0.00 0.00 176.54 178.45 1wi6 h GLU 112 N 0.02 0.72 -0.66 4.80 5.08 -1.96 -0.57 114.58 122.01 1wi6 h GLU 112 Ca -0.09 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1wi6 h GLU 112 Cb 1.86 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.91 1wi6 h GLU 112 CO 0.14 0.48 0.30 1.96 -1.00 0.00 0.00 179.01 180.89 1wi6 h GLN 113 N 0.75 0.95 -0.20 2.33 4.20 -1.99 -1.48 115.11 119.67 1wi6 h GLN 113 Ca 0.26 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 1wi6 h GLN 113 Cb 0.05 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1wi6 h GLN 113 CO -0.12 0.75 -0.08 0.00 -0.67 0.00 0.00 178.83 178.71 1wi6 h ALA 114 N 1.38 0.28 -0.32 3.87 0.00 -1.45 -1.91 119.26 121.12 1wi6 h ALA 114 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wi6 h ALA 114 Cb 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1wi6 h ALA 114 CO -0.03 0.10 0.21 1.49 0.00 0.00 0.00 179.25 181.02 1wi6 h GLU 115 N 0.12 0.42 -0.43 0.00 4.81 -0.90 0.92 114.58 119.53 1wi6 h GLU 115 Ca 0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1wi6 h GLU 115 Cb 0.55 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1wi6 h GLU 115 CO 0.03 0.29 0.27 0.00 -0.73 0.00 0.00 179.01 178.86 1wi6 h ALA 116 N 1.11 0.54 -0.44 2.92 0.00 -1.27 0.31 119.26 122.44 1wi6 h ALA 116 Ca 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1wi6 h ALA 116 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1wi6 h ALA 116 CO -0.02 0.02 0.13 0.00 0.00 0.00 0.00 179.25 179.37 1wi6 h ALA 117 N 1.13 0.57 -0.51 0.00 0.00 -1.08 -2.24 119.26 117.13 1wi6 h ALA 117 Ca 0.15 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1wi6 h ALA 117 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1wi6 h ALA 117 CO -0.03 0.23 -0.16 0.82 0.00 0.00 0.00 179.25 180.12 1wi6 h ILE 118 N 0.57 1.27 -0.78 0.00 2.04 -0.58 0.27 117.51 120.29 1wi6 h ILE 118 Ca 0.14 -1.31 0.02 0.00 1.00 0.00 0.00 64.86 64.71 1wi6 h ILE 118 Cb 0.28 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1wi6 h ILE 118 CO -0.00 0.46 0.51 -1.13 0.00 0.00 0.00 178.15 177.98 1wi6 h ASN 119 N 0.88 0.86 0.02 1.72 -0.73 -0.24 0.58 115.58 118.67 1wi6 h ASN 119 Ca 0.13 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.26 1wi6 h ASN 119 Cb 0.73 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.12 1wi6 h ASN 119 CO 0.06 0.60 -0.13 0.74 -0.37 0.00 0.00 177.43 178.33 1wi6 h THR 120 N 1.01 1.74 -0.41 -3.57 2.02 -1.29 -3.32 112.91 109.10 1wi6 h THR 120 Ca 0.30 -2.32 -0.01 0.00 0.77 0.00 0.00 66.41 65.15 1wi6 h THR 120 Cb -0.05 3.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.65 1wi6 h THR 120 CO -0.09 0.61 0.23 -0.26 0.37 0.00 0.00 175.52 176.38 1wi6 h PHE 121 N -0.87 0.53 -4.29 3.16 0.04 -0.40 -3.41 116.94 111.69 1wi6 h PHE 121 Ca -0.02 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.23 1wi6 h PHE 121 Cb 1.08 -0.17 0.16 0.00 2.20 0.00 0.00 35.95 39.21 1wi6 h PHE 121 CO 0.26 0.37 0.28 -1.58 -0.60 0.00 0.00 178.31 177.04 1wi6 s HIS 122 N -5.41 2.14 -0.78 -0.55 5.65 0.20 -2.88 115.29 113.66 1wi6 s HIS 122 Ca -0.08 1.66 0.00 0.00 0.25 0.00 0.00 55.06 56.89 1wi6 s HIS 122 Cb 0.17 -3.19 0.00 0.00 -1.18 0.00 0.00 32.58 28.38 1wi6 s HIS 122 CO 0.74 -2.27 0.00 0.00 -0.65 0.00 0.00 174.74 172.56 1wi6 n GLN 123 N -3.79 -2.26 -3.70 2.88 10.64 -1.26 -4.92 117.38 114.97 1wi6 n GLN 123 Ca 0.10 0.44 -0.21 0.00 -1.83 0.00 0.00 57.00 55.51 1wi6 n GLN 123 Cb 0.52 -4.95 -0.03 0.00 -0.86 0.00 0.00 30.24 24.92 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 -1.98 5.28 0.01 2.61 1.04 -1.14 -5.04 113.70 114.48 1wi6 s SER 124 Ca 0.00 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1wi6 s SER 124 Cb 0.00 -0.87 -0.01 0.00 0.10 0.00 0.00 66.02 65.24 1wi6 s SER 124 CO 0.00 -0.45 -0.03 -0.13 0.98 0.00 0.00 173.24 173.61 1wi6 s ARG 125 N -4.05 0.24 -0.04 4.02 0.52 -1.26 -2.51 118.95 115.86 1wi6 s ARG 125 Ca 0.44 -0.38 -0.02 0.00 -0.52 0.00 0.00 55.73 55.25 1wi6 s ARG 125 Cb -0.05 -0.02 0.03 0.00 0.52 0.00 0.00 34.95 35.43 1wi6 s ARG 125 CO 0.27 -0.01 0.06 -1.17 0.02 0.00 0.00 175.30 174.47 1wi6 s LEU 126 N -0.85 0.25 -1.11 2.53 2.96 -1.00 -4.89 118.68 116.58 1wi6 s LEU 126 Ca -0.08 0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1wi6 s LEU 126 Cb -0.06 -0.12 -0.03 0.00 0.50 0.00 0.00 46.19 46.48 1wi6 s LEU 126 CO -0.00 -0.23 0.94 0.54 -1.32 0.00 0.00 176.35 176.27 1wi6 n ARG 127 N 5.16 -4.50 -4.13 1.98 5.12 -1.26 -2.51 116.66 116.52 1wi6 n ARG 127 Ca -0.06 0.84 -0.33 0.00 -1.93 0.00 0.00 57.85 56.37 1wi6 n ARG 127 Cb 0.50 -5.78 -0.02 0.00 -1.16 0.00 0.00 32.46 26.00 1wi6 n ARG 127 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1wi6 n GLU 128 N -3.66 -3.50 -4.11 5.56 0.28 -1.26 -4.95 120.64 109.00 1wi6 n GLU 128 Ca -0.18 0.41 -0.15 0.00 -0.16 0.00 0.00 57.16 57.07 1wi6 n GLU 128 Cb 0.64 -5.03 -0.12 0.00 1.43 0.00 0.00 31.44 28.37 1wi6 n GLU 128 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1wi6 s ARG 129 N -6.82 0.66 -0.14 3.44 1.04 -1.05 -5.13 118.95 110.95 1wi6 s ARG 129 Ca 0.58 -0.84 -0.24 0.00 -1.04 0.00 0.00 55.73 54.18 1wi6 s ARG 129 Cb -0.31 -0.53 -0.02 0.00 -2.04 0.00 0.00 34.95 32.04 1wi6 s ARG 129 CO 0.91 0.11 0.78 -2.00 -0.04 0.00 0.00 175.30 175.06 1wi6 s GLU 130 N -1.65 4.33 -0.14 3.89 2.12 -1.26 -2.38 118.70 123.61 1wi6 s GLU 130 Ca -0.06 0.95 -0.04 0.00 0.36 0.00 0.00 54.97 56.18 1wi6 s GLU 130 Cb -0.10 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1wi6 s GLU 130 CO 0.01 -0.22 0.01 -0.51 -0.54 0.00 0.00 175.26 174.01 1wi6 s LEU 131 N 1.78 3.53 -0.21 2.70 1.43 -1.04 -4.76 118.68 122.10 1wi6 s LEU 131 Ca 0.37 0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1wi6 s LEU 131 Cb -0.17 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 1wi6 s LEU 131 CO 0.14 0.24 -0.07 -0.44 0.23 0.00 0.00 176.35 176.45 1wi6 s SER 132 N -0.02 4.13 -0.03 2.29 0.01 -0.94 -4.30 113.70 114.85 1wi6 s SER 132 Ca 0.03 -0.43 0.06 0.00 1.31 0.00 0.00 55.95 56.92 1wi6 s SER 132 Cb -0.13 -1.70 -0.01 0.00 0.21 0.00 0.00 66.02 64.39 1wi6 s SER 132 CO 0.02 -0.01 -0.20 -0.69 0.41 0.00 0.00 173.24 172.76 1wi6 s VAL 133 N 1.44 1.63 0.16 3.43 1.01 -1.26 -0.56 120.40 126.25 1wi6 s VAL 133 Ca 0.05 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 1wi6 s VAL 133 Cb -0.14 -1.37 0.04 0.00 0.00 0.00 0.00 36.38 34.91 1wi6 s VAL 133 CO -0.05 0.46 0.48 0.00 0.00 0.00 0.00 175.10 176.00 1wi6 s GLN 134 N -0.32 1.24 0.49 2.72 -2.07 -0.59 -4.81 119.66 116.33 1wi6 s GLN 134 Ca 0.04 -0.76 -0.23 0.00 -1.82 0.00 0.00 55.36 52.59 1wi6 s GLN 134 Cb -0.10 0.51 -0.07 0.00 -1.09 0.00 0.00 33.01 32.27 1wi6 s GLN 134 CO 0.00 -0.52 1.36 -0.51 -1.32 0.00 0.00 175.29 174.31 1wi6 s LEU 135 N -2.83 3.99 0.26 2.60 1.43 -1.26 -0.83 118.68 122.03 1wi6 s LEU 135 Ca 0.06 2.78 -0.30 0.00 -1.03 0.00 0.00 54.13 55.64 1wi6 s LEU 135 Cb 0.00 -4.12 -0.09 0.00 0.03 0.00 0.00 46.19 42.01 1wi6 s LEU 135 CO -0.08 -1.32 1.04 -1.58 0.23 0.00 0.00 176.35 174.64 1wi6 s GLN 136 N -2.67 4.72 0.72 1.70 0.74 -1.14 -4.68 119.66 119.05 1wi6 s GLN 136 Ca 0.66 1.68 -0.13 0.00 0.05 0.00 0.00 55.36 57.62 1wi6 s GLN 136 Cb -0.41 -3.23 0.03 0.00 1.10 0.00 0.00 33.01 30.50 1wi6 s GLN 136 CO 0.50 0.32 1.10 -1.25 -0.55 0.00 0.00 175.29 175.41 1wi6 s PRO 137 N -1.26 2.51 -0.24 1.67 0.04 -1.26 -4.66 135.00 131.79 1wi6 s PRO 137 Ca 0.43 1.27 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 1wi6 s PRO 137 Cb -0.29 -1.92 -0.16 0.00 0.04 0.00 0.00 34.50 32.16 1wi6 s PRO 137 CO 0.37 -1.46 -0.15 2.41 0.04 0.00 0.00 177.00 178.21 1wi6 n THR 138 N -3.00 1.55 -2.05 1.26 -1.04 -1.17 -4.59 114.28 105.24 1wi6 n THR 138 Ca 0.10 -0.45 -0.25 0.00 -2.04 0.00 0.00 64.05 61.41 1wi6 n THR 138 Cb 0.52 -1.71 0.02 0.00 -1.82 0.00 0.00 70.33 67.35 1wi6 n THR 138 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1wi6 n ASP 139 N -3.80 5.02 -0.26 8.00 2.03 -1.26 -4.85 116.55 121.42 1wi6 n ASP 139 Ca -0.46 -3.75 0.01 0.00 0.52 0.00 0.00 54.79 51.11 1wi6 n ASP 139 Cb 0.92 -0.38 0.08 0.00 -0.72 0.00 0.00 41.12 41.02 1wi6 n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wi6 h ALA 140 N 2.22 0.42 -1.49 -1.67 0.00 -1.94 -3.40 119.26 113.40 1wi6 h ALA 140 Ca 0.37 0.28 -0.75 0.00 0.00 0.00 0.00 54.91 54.81 1wi6 h ALA 140 Cb 1.43 0.62 0.02 0.00 0.00 0.00 0.00 17.79 19.86 1wi6 h ALA 140 CO 0.80 -0.45 0.79 1.28 0.00 0.00 0.00 179.25 181.68 1wi6 n LEU 141 N -5.49 2.10 -4.50 0.00 4.77 -1.26 -4.88 117.00 107.74 1wi6 n LEU 141 Ca 0.10 1.10 -0.43 0.00 -0.03 0.00 0.00 56.01 56.74 1wi6 n LEU 141 Cb 0.38 -1.12 -0.05 0.00 -2.33 0.00 0.00 43.42 40.31 1wi6 n LEU 141 CO -0.01 -0.60 0.65 -0.76 -1.33 0.00 0.00 177.39 175.34 1wi6 s LEU 142 N 2.95 4.31 -0.22 2.23 1.43 -1.26 -4.99 118.68 123.13 1wi6 s LEU 142 Ca 0.97 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 53.39 1wi6 s LEU 142 Cb -1.10 -2.73 0.06 0.00 0.03 0.00 0.00 46.19 42.45 1wi6 s LEU 142 CO 0.64 -1.15 0.58 0.00 0.23 0.00 0.00 176.35 176.65 1wi6 s SER 144 N 0.67 5.91 0.00 0.00 1.04 -1.26 -4.95 113.70 115.10 1wi6 s SER 144 Ca -0.03 2.29 0.00 0.00 0.48 0.00 0.00 55.95 58.69 1wi6 s SER 144 Cb -0.05 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1wi6 s SER 144 CO -0.04 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1wi6 n GLY 145 N 0.36 -1.41 0.26 7.32 0.00 -1.26 -5.03 105.19 105.43 1wi6 n GLY 145 Ca 0.09 0.64 0.17 0.00 0.00 0.00 0.00 46.02 46.92 1wi6 n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi6 h PRO 146 N 0.00 0.00 -2.85 1.61 0.13 -2.03 -3.37 132.00 125.49 1wi6 h PRO 146 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 1wi6 h PRO 146 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 1wi6 h PRO 146 CO 0.00 0.00 -0.77 0.45 -0.23 0.00 0.00 178.00 177.45 1wi6 s SER 147 N -5.42 3.40 -0.88 1.44 0.15 -1.26 -5.07 113.70 106.06 1wi6 s SER 147 Ca 0.01 -2.53 -0.25 0.00 0.70 0.00 0.00 55.95 53.89 1wi6 s SER 147 Cb 0.09 -0.84 -0.00 0.00 -1.71 0.00 0.00 66.02 63.56 1wi6 s SER 147 CO 0.51 -0.27 1.70 -0.55 1.20 0.00 0.00 173.24 175.82 1wi6 s SER 148 N 0.53 5.72 0.00 5.45 0.15 -1.26 -5.27 113.70 119.02 1wi6 s SER 148 Ca 0.18 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1wi6 s SER 148 Cb -0.23 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1wi6 s SER 148 CO -0.00 -2.18 0.00 0.61 1.20 0.00 0.00 173.24 172.86