#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 -0.11 0.18 1.61 1.04 -1.26 -5.07 113.70 110.08 1wi6 s SER 63 Ca 0.00 0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.57 1wi6 s SER 63 Cb 0.00 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 1wi6 s SER 63 CO 0.00 -0.07 0.23 -0.44 0.98 0.00 0.00 173.24 173.94 1wi6 s SER 64 N -0.08 0.10 0.00 7.02 0.01 -1.26 -5.06 113.70 114.43 1wi6 s SER 64 Ca -0.02 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.18 1wi6 s SER 64 Cb -0.02 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1wi6 s SER 64 CO 0.00 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1wi6 n GLY 65 N -0.22 0.96 3.27 3.44 0.00 -1.26 -4.85 105.19 106.52 1wi6 n GLY 65 Ca -0.04 -1.45 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 1wi6 n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wi6 n SER 66 N 0.00 -1.30 -0.10 1.61 2.88 -1.26 -5.03 113.62 110.43 1wi6 n SER 66 Ca 0.00 -2.86 -0.13 0.00 -1.33 0.00 0.00 58.87 54.55 1wi6 n SER 66 Cb 0.00 2.44 -0.14 0.00 -0.75 0.00 0.00 64.21 65.75 1wi6 n SER 66 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wi6 n SER 67 N -1.64 0.87 -4.74 -3.46 3.41 -1.26 -4.41 113.62 102.38 1wi6 n SER 67 Ca 0.01 0.01 -0.41 0.00 -0.26 0.00 0.00 58.87 58.22 1wi6 n SER 67 Cb 0.57 0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 1wi6 n SER 67 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wi6 s GLY 68 N -5.79 2.72 0.26 5.00 0.00 -1.26 -2.71 107.32 105.53 1wi6 s GLY 68 Ca -0.18 0.97 0.11 0.00 0.00 0.00 0.00 44.72 45.61 1wi6 s GLY 68 CO 0.75 1.83 -0.14 -0.26 0.00 0.00 0.00 173.10 175.28 1wi6 s ILE 69 N -0.21 2.78 -0.04 0.90 -5.25 0.46 -0.95 121.20 118.89 1wi6 s ILE 69 Ca 0.52 -2.18 0.02 0.00 -0.99 0.00 0.00 60.65 58.01 1wi6 s ILE 69 Cb -0.33 -2.45 0.01 0.00 2.95 0.00 0.00 42.46 42.64 1wi6 s ILE 69 CO 0.38 -0.34 -0.08 -0.22 -1.79 0.00 0.00 174.94 172.89 1wi6 s LEU 70 N -3.42 1.61 0.01 0.37 2.96 -0.40 -2.35 118.68 117.46 1wi6 s LEU 70 Ca 0.29 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1wi6 s LEU 70 Cb -0.06 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 1wi6 s LEU 70 CO 0.16 0.02 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.56 1wi6 s ILE 71 N 0.51 3.99 -0.02 6.68 1.01 -0.57 -1.98 121.20 130.82 1wi6 s ILE 71 Ca -0.08 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 59.93 1wi6 s ILE 71 Cb -0.12 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 1wi6 s ILE 71 CO 0.01 0.35 -0.22 -0.13 0.00 0.00 0.00 174.94 174.95 1wi6 s ARG 72 N -1.61 1.77 -0.15 2.79 1.81 0.36 -2.86 118.95 121.06 1wi6 s ARG 72 Ca 0.20 -0.78 -0.05 0.00 -1.72 0.00 0.00 55.73 53.38 1wi6 s ARG 72 Cb -0.11 -1.71 0.01 0.00 -0.45 0.00 0.00 34.95 32.69 1wi6 s ARG 72 CO 0.10 0.47 0.19 0.41 -0.68 0.00 0.00 175.30 175.79 1wi6 n GLY 73 N 2.55 -1.17 3.90 -3.53 0.00 -0.79 -2.60 105.19 103.55 1wi6 n GLY 73 Ca -0.15 0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.47 4.27 0.69 0.99 1.43 -0.86 -4.86 118.68 118.87 1wi6 s LEU 74 Ca 0.08 0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 53.26 1wi6 s LEU 74 Cb -0.02 -2.88 0.02 0.00 0.03 0.00 0.00 46.19 43.33 1wi6 s LEU 74 CO 0.27 0.16 1.10 -2.16 0.23 0.00 0.00 176.35 175.96 1wi6 s PRO 75 N -2.56 2.64 0.63 1.29 0.04 -1.26 -4.91 135.00 130.86 1wi6 s PRO 75 Ca 0.34 1.32 0.37 0.00 0.04 0.00 0.00 61.00 63.07 1wi6 s PRO 75 Cb -0.13 -1.93 2.10 0.00 0.04 0.00 0.00 34.50 34.58 1wi6 s PRO 75 CO 0.27 -1.37 2.31 0.78 0.04 0.00 0.00 177.00 179.03 1wi6 h GLY 76 N -0.31 0.00 -2.65 0.56 0.00 -1.99 -0.22 103.07 98.46 1wi6 h GLY 76 Ca -0.46 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 1wi6 h GLY 76 CO 0.53 0.00 0.06 1.22 0.00 0.00 0.00 176.54 178.35 1wi6 n ASP 77 N -3.47 4.49 -4.61 0.19 9.92 -1.26 -4.97 116.55 116.83 1wi6 n ASP 77 Ca -0.03 -3.12 -0.43 0.00 -0.53 0.00 0.00 54.79 50.69 1wi6 n ASP 77 Cb 0.08 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 39.90 1wi6 n ASP 77 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wi6 s VAL 78 N -2.90 3.35 0.36 2.53 0.11 -0.10 -4.97 120.40 118.79 1wi6 s VAL 78 Ca 0.49 0.37 0.09 0.00 -2.93 0.00 0.00 61.98 60.00 1wi6 s VAL 78 Cb 0.39 -3.45 -0.07 0.00 -1.53 0.00 0.00 36.38 31.73 1wi6 s VAL 78 CO 0.11 -0.27 -0.07 0.28 -3.33 0.00 0.00 175.10 171.83 1wi6 s THR 79 N 6.96 2.17 0.47 5.04 -1.32 -1.26 -4.91 115.64 122.79 1wi6 s THR 79 Ca 0.85 -2.15 0.20 0.00 -1.21 0.00 0.00 61.69 59.38 1wi6 s THR 79 Cb -0.27 -2.74 0.38 0.00 -1.51 0.00 0.00 72.50 68.37 1wi6 s THR 79 CO 0.34 -0.15 1.93 0.78 -2.21 0.00 0.00 174.62 175.31 1wi6 h ASN 80 N 1.96 0.24 -0.66 8.08 2.35 -1.97 0.43 115.58 126.02 1wi6 h ASN 80 Ca -0.42 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.30 1wi6 h ASN 80 Cb 1.25 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.55 1wi6 h ASN 80 CO 0.73 0.12 0.24 -0.61 -1.65 0.00 0.00 177.43 176.27 1wi6 h GLN 81 N 0.26 1.02 -0.42 0.81 5.75 -1.98 0.53 115.11 121.08 1wi6 h GLN 81 Ca 0.35 -0.19 -0.04 0.00 -0.15 0.00 0.00 58.65 58.63 1wi6 h GLN 81 Cb 1.00 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 1wi6 h GLN 81 CO -0.08 0.85 0.12 1.49 -2.65 0.00 0.00 178.83 178.56 1wi6 h GLU 82 N 0.99 0.66 -0.34 1.69 4.57 -1.29 -0.80 114.58 120.06 1wi6 h GLU 82 Ca 0.23 -0.15 -0.16 0.00 -1.18 0.00 0.00 59.36 58.10 1wi6 h GLU 82 Cb 0.23 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1wi6 h GLU 82 CO -0.01 0.66 -0.42 0.28 -1.18 0.00 0.00 179.01 178.33 1wi6 h VAL 83 N 0.53 1.28 -0.17 0.32 2.07 -1.29 -2.17 116.25 116.82 1wi6 h VAL 83 Ca 0.13 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 1wi6 h VAL 83 Cb 0.28 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1wi6 h VAL 83 CO -0.00 0.53 0.07 0.45 0.02 0.00 0.00 177.57 178.63 1wi6 h HIS 84 N 0.68 0.26 -0.58 1.57 3.86 -0.76 -2.36 115.15 117.82 1wi6 h HIS 84 Ca 0.05 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1wi6 h HIS 84 Cb 1.00 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.36 1wi6 h HIS 84 CO 0.06 0.32 0.19 0.22 0.86 0.00 0.00 177.93 179.58 1wi6 h ASP 85 N 0.12 0.80 -0.79 2.45 3.58 -1.15 0.12 116.42 121.54 1wi6 h ASP 85 Ca 0.06 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1wi6 h ASP 85 Cb 0.17 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 1wi6 h ASP 85 CO -0.00 0.75 0.50 0.25 -2.88 0.00 0.00 179.24 177.85 1wi6 h LEU 86 N 0.84 0.93 -3.68 2.28 5.85 -1.15 -2.79 115.31 117.58 1wi6 h LEU 86 Ca 0.19 -0.05 -0.46 0.00 0.84 0.00 0.00 57.88 58.41 1wi6 h LEU 86 Cb 0.23 -0.23 -0.29 0.00 0.37 0.00 0.00 40.66 40.74 1wi6 h LEU 86 CO -0.01 0.70 -0.13 0.18 -0.34 0.00 0.00 178.44 178.84 1wi6 n LEU 87 N -4.50 5.39 -0.66 2.25 4.77 -0.91 -4.68 117.00 118.66 1wi6 n LEU 87 Ca 0.08 -4.30 0.01 0.00 -0.03 0.00 0.00 56.01 51.77 1wi6 n LEU 87 Cb 0.04 -0.61 0.07 0.00 -2.33 0.00 0.00 43.42 40.59 1wi6 n LEU 87 CO 0.37 1.66 0.39 -0.24 -1.33 0.00 0.00 177.39 178.23 1wi6 n SER 88 N -0.91 1.64 -0.04 -1.43 2.88 0.37 -3.29 113.62 112.84 1wi6 n SER 88 Ca 0.45 -2.14 -0.01 0.00 -1.33 0.00 0.00 58.87 55.85 1wi6 n SER 88 Cb 0.93 -0.46 -0.10 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.07 1.87 -4.83 -3.46 8.00 -1.26 -5.03 116.55 111.92 1wi6 n ASP 89 Ca 0.05 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.30 1wi6 n ASP 89 Cb 0.36 1.11 0.01 0.00 -0.02 0.00 0.00 41.12 42.59 1wi6 n ASP 89 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1wi6 n TYR 90 N -2.29 -0.82 -2.75 1.24 4.02 -1.21 -5.07 117.16 110.29 1wi6 n TYR 90 Ca -0.14 -2.28 -0.43 0.00 -0.01 0.00 0.00 57.90 55.04 1wi6 n TYR 90 Cb 0.71 -0.46 -0.03 0.00 -0.02 0.00 0.00 39.34 39.53 1wi6 n TYR 90 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1wi6 s GLU 91 N -4.29 3.47 -0.82 -0.72 2.02 -1.26 -4.98 118.70 112.11 1wi6 s GLU 91 Ca 0.35 0.06 -0.21 0.00 0.02 0.00 0.00 54.97 55.19 1wi6 s GLU 91 Cb -0.03 -4.00 0.10 0.00 0.10 0.00 0.00 34.13 30.30 1wi6 s GLU 91 CO 0.22 -1.46 1.09 -0.51 0.02 0.00 0.00 175.26 174.62 1wi6 s LEU 92 N 4.20 4.61 0.10 1.80 1.43 -1.26 -3.73 118.68 125.83 1wi6 s LEU 92 Ca 0.37 -1.52 -0.05 0.00 -1.03 0.00 0.00 54.13 51.90 1wi6 s LEU 92 Cb -0.10 -2.42 -0.18 0.00 0.03 0.00 0.00 46.19 43.51 1wi6 s LEU 92 CO 0.24 -1.27 1.22 0.11 0.23 0.00 0.00 176.35 176.88 1wi6 h LYS 93 N 9.25 0.36 -3.38 1.70 1.79 -1.87 -3.45 116.57 120.97 1wi6 h LYS 93 Ca -0.03 -0.48 -0.25 0.00 -2.18 0.00 0.00 60.65 57.71 1wi6 h LYS 93 Cb 1.04 0.16 -0.31 0.00 -1.58 0.00 0.00 32.23 31.53 1wi6 h LYS 93 CO 1.17 1.17 -0.64 -0.47 -1.08 0.00 0.00 179.45 179.60 1wi6 s TYR 94 N -2.99 -0.10 -0.08 -1.35 5.04 -1.19 -5.02 117.35 111.66 1wi6 s TYR 94 Ca -0.05 0.34 0.03 0.00 -2.44 0.00 0.00 57.07 54.94 1wi6 s TYR 94 Cb 0.08 -0.10 0.01 0.00 0.35 0.00 0.00 41.96 42.29 1wi6 s TYR 94 CO 0.88 -0.12 -0.16 0.00 -1.34 0.00 0.00 175.55 174.81 1wi6 s PHE 96 N 0.55 0.14 -0.10 0.00 5.36 -0.23 -5.02 117.98 118.68 1wi6 s PHE 96 Ca -0.16 0.04 0.02 0.00 -0.96 0.00 0.00 56.93 55.87 1wi6 s PHE 96 Cb -0.16 -0.23 0.02 0.00 -0.34 0.00 0.00 43.02 42.30 1wi6 s PHE 96 CO 0.05 -0.07 -0.14 0.08 -1.46 0.00 0.00 175.22 173.68 1wi6 s VAL 97 N 0.70 1.35 -0.29 3.12 1.01 -1.26 -1.48 120.40 123.55 1wi6 s VAL 97 Ca -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1wi6 s VAL 97 Cb -0.09 -1.24 0.06 0.00 0.00 0.00 0.00 36.38 35.10 1wi6 s VAL 97 CO -0.02 0.41 -0.04 -0.62 0.00 0.00 0.00 175.10 174.84 1wi6 s ASP 98 N 0.96 4.72 0.06 3.32 -1.08 0.17 -4.96 116.67 119.87 1wi6 s ASP 98 Ca -0.08 -1.38 0.09 0.00 -0.52 0.00 0.00 52.55 50.66 1wi6 s ASP 98 Cb -0.15 -1.65 -0.22 0.00 -1.46 0.00 0.00 42.92 39.45 1wi6 s ASP 98 CO -0.01 -0.25 1.06 0.07 0.52 0.00 0.00 175.17 176.57 1wi6 h LYS 99 N 7.89 0.00 0.55 4.34 2.10 -1.91 -1.29 116.57 128.25 1wi6 h LYS 99 Ca -0.19 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.43 1wi6 h LYS 99 Cb 1.05 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.39 1wi6 h LYS 99 CO 0.51 0.82 -0.27 1.88 -2.00 0.00 0.00 179.45 180.39 1wi6 h TYR 100 N 0.00 -0.69 0.00 0.07 0.05 -1.93 -3.14 116.97 111.33 1wi6 h TYR 100 Ca -0.11 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.55 1wi6 h TYR 100 Cb 1.85 0.23 -0.01 0.00 1.01 0.00 0.00 36.73 39.81 1wi6 h TYR 100 CO 0.00 -0.43 -0.49 0.87 -1.05 0.00 0.00 178.16 177.06 1wi6 h LYS 101 N -0.74 0.00 -0.20 4.88 1.79 -2.01 -3.47 116.57 116.82 1wi6 h LYS 101 Ca -0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1wi6 h LYS 101 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1wi6 h LYS 101 CO 0.12 0.49 0.00 0.41 -1.08 0.00 0.00 179.45 179.39 1wi6 n GLY 102 N -0.10 1.14 3.23 3.86 0.00 -0.94 -4.89 105.19 107.48 1wi6 n GLY 102 Ca -0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.20 0.24 -0.03 2.61 -4.23 -0.53 -1.88 115.64 109.62 1wi6 s THR 103 Ca 0.00 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1wi6 s THR 103 Cb 0.00 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.45 1wi6 s THR 103 CO 0.00 -0.13 -0.01 0.00 -0.54 0.00 0.00 174.62 173.94 1wi6 s ALA 104 N -3.98 0.37 -0.18 3.99 0.00 -1.14 -0.66 121.76 120.17 1wi6 s ALA 104 Ca 0.34 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.40 1wi6 s ALA 104 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1wi6 s ALA 104 CO 0.10 -0.05 -0.07 -0.06 0.00 0.00 0.00 175.76 175.67 1wi6 s PHE 105 N 0.95 2.92 -0.02 0.00 0.08 -0.55 -1.50 117.98 119.85 1wi6 s PHE 105 Ca -0.10 -0.80 0.03 0.00 0.12 0.00 0.00 56.93 56.18 1wi6 s PHE 105 Cb -0.13 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.31 1wi6 s PHE 105 CO -0.01 -0.40 -0.09 0.08 -0.10 0.00 0.00 175.22 174.70 1wi6 s VAL 106 N 1.01 0.78 -0.33 -0.44 1.01 -0.99 -1.06 120.40 120.36 1wi6 s VAL 106 Ca -0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 1wi6 s VAL 106 Cb -0.15 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1wi6 s VAL 106 CO -0.00 0.24 0.16 -0.89 0.00 0.00 0.00 175.10 174.60 1wi6 s THR 107 N 0.09 4.45 0.82 3.92 2.01 -0.76 -0.40 115.64 125.77 1wi6 s THR 107 Ca -0.01 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.21 1wi6 s THR 107 Cb -0.07 -3.37 0.18 0.00 0.01 0.00 0.00 72.50 69.25 1wi6 s THR 107 CO 0.00 -0.06 1.12 0.18 -0.69 0.00 0.00 174.62 175.17 1wi6 n LEU 108 N 4.96 0.00 -0.04 4.42 4.77 -1.10 -3.18 117.00 126.83 1wi6 n LEU 108 Ca -0.13 -1.51 -0.01 0.00 -0.03 0.00 0.00 56.01 54.33 1wi6 n LEU 108 Cb 0.47 -0.82 -0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1wi6 n LEU 108 CO 0.34 -1.23 -0.04 0.25 -1.33 0.00 0.00 177.39 175.38 1wi6 h LEU 109 N 0.00 0.00-10.45 2.23 5.85 -1.87 -3.44 115.31 107.63 1wi6 h LEU 109 Ca -0.36 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 57.82 1wi6 h LEU 109 Cb 1.09 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1wi6 h LEU 109 CO 0.29 0.40 -0.23 0.20 -0.34 0.00 0.00 178.44 178.76 1wi6 s ASN 110 N -4.91 4.88 0.06 1.25 0.01 -1.26 -4.92 114.94 110.05 1wi6 s ASN 110 Ca -0.02 -1.02 0.07 0.00 -0.71 0.00 0.00 52.86 51.18 1wi6 s ASN 110 Cb 0.00 0.25 -0.22 0.00 0.41 0.00 0.00 41.25 41.69 1wi6 s ASN 110 CO 0.03 -1.15 1.06 1.23 -1.51 0.00 0.00 177.10 176.75 1wi6 h GLY 111 N 0.54 0.04 0.95 0.66 0.00 -1.93 -3.34 103.07 100.00 1wi6 h GLY 111 Ca -0.34 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 46.91 1wi6 h GLY 111 CO 0.50 0.08 0.50 0.83 0.00 0.00 0.00 176.54 178.46 1wi6 h GLU 112 N 0.01 0.98 -0.37 4.80 5.08 -1.89 -1.73 114.58 121.47 1wi6 h GLU 112 Ca -0.12 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1wi6 h GLU 112 Cb 1.87 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.88 1wi6 h GLU 112 CO 0.12 0.65 0.22 1.96 -1.00 0.00 0.00 179.01 180.95 1wi6 h GLN 113 N 1.01 0.49 -0.18 2.33 4.20 -1.92 -2.00 115.11 119.03 1wi6 h GLN 113 Ca 0.29 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 1wi6 h GLN 113 Cb -0.07 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1wi6 h GLN 113 CO -0.08 0.35 -0.05 0.00 -0.67 0.00 0.00 178.83 178.39 1wi6 h ALA 114 N 1.73 0.25 -0.39 3.87 0.00 -1.45 -1.85 119.26 121.43 1wi6 h ALA 114 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wi6 h ALA 114 Cb -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1wi6 h ALA 114 CO -0.02 0.02 0.26 1.49 0.00 0.00 0.00 179.25 181.00 1wi6 h GLU 115 N 0.07 0.51 -0.50 0.00 4.81 -1.03 0.15 114.58 118.58 1wi6 h GLU 115 Ca 0.05 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1wi6 h GLU 115 Cb 0.49 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1wi6 h GLU 115 CO 0.02 0.34 0.31 0.00 -0.73 0.00 0.00 179.01 178.94 1wi6 h ALA 116 N 1.14 0.64 -0.41 2.92 0.00 -1.36 0.34 119.26 122.53 1wi6 h ALA 116 Ca 0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1wi6 h ALA 116 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1wi6 h ALA 116 CO -0.03 0.12 0.01 0.00 0.00 0.00 0.00 179.25 179.35 1wi6 h ALA 117 N 1.15 0.55 -0.51 0.00 0.00 -1.04 -2.48 119.26 116.94 1wi6 h ALA 117 Ca 0.18 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1wi6 h ALA 117 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1wi6 h ALA 117 CO -0.03 0.32 -0.17 0.82 0.00 0.00 0.00 179.25 180.19 1wi6 h ILE 118 N 0.55 1.27 -0.39 0.00 2.04 -0.48 0.34 117.51 120.83 1wi6 h ILE 118 Ca 0.12 -1.33 0.02 0.00 1.00 0.00 0.00 64.86 64.67 1wi6 h ILE 118 Cb 0.47 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1wi6 h ILE 118 CO 0.02 0.46 0.21 -1.13 0.00 0.00 0.00 178.15 177.71 1wi6 h ASN 119 N 0.88 0.33 0.01 1.72 -0.73 -0.24 0.61 115.58 118.15 1wi6 h ASN 119 Ca 0.12 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.28 1wi6 h ASN 119 Cb 0.74 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.28 1wi6 h ASN 119 CO 0.06 0.24 -0.11 0.74 -0.37 0.00 0.00 177.43 177.99 1wi6 h THR 120 N 0.43 1.67 -0.55 -3.57 2.02 -1.38 -3.30 112.91 108.23 1wi6 h THR 120 Ca 0.16 -2.10 0.02 0.00 0.77 0.00 0.00 66.41 65.27 1wi6 h THR 120 Cb 0.04 3.07 -0.03 0.00 -1.74 0.00 0.00 68.15 69.50 1wi6 h THR 120 CO -0.10 0.56 0.37 -0.26 0.37 0.00 0.00 175.52 176.46 1wi6 h PHE 121 N -0.78 0.64 -3.74 3.16 0.04 -0.28 -3.41 116.94 112.57 1wi6 h PHE 121 Ca -0.02 0.02 -0.46 0.00 2.80 0.00 0.00 57.97 60.31 1wi6 h PHE 121 Cb 0.97 -0.22 0.18 0.00 2.20 0.00 0.00 35.95 39.08 1wi6 h PHE 121 CO 0.23 0.39 0.15 -1.58 -0.60 0.00 0.00 178.31 176.89 1wi6 s HIS 122 N -5.59 1.84 -0.38 -0.55 5.65 0.21 -2.99 115.29 113.48 1wi6 s HIS 122 Ca -0.09 1.20 0.00 0.00 0.25 0.00 0.00 55.06 56.42 1wi6 s HIS 122 Cb 0.18 -3.18 0.00 0.00 -1.18 0.00 0.00 32.58 28.40 1wi6 s HIS 122 CO 0.75 -3.12 0.00 0.00 -0.65 0.00 0.00 174.74 171.72 1wi6 n GLN 123 N -4.38 -2.07 -2.88 2.88 10.64 -1.26 -4.88 117.38 115.43 1wi6 n GLN 123 Ca 0.05 0.21 -0.19 0.00 -1.83 0.00 0.00 57.00 55.25 1wi6 n GLN 123 Cb 0.55 -4.56 0.04 0.00 -0.86 0.00 0.00 30.24 25.41 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 -1.74 5.34 0.04 2.61 1.04 -1.16 -4.98 113.70 114.85 1wi6 s SER 124 Ca 0.00 -0.40 -0.02 0.00 0.48 0.00 0.00 55.95 56.01 1wi6 s SER 124 Cb 0.00 -0.47 -0.02 0.00 0.10 0.00 0.00 66.02 65.63 1wi6 s SER 124 CO 0.00 -1.07 0.01 -0.13 0.98 0.00 0.00 173.24 173.03 1wi6 s ARG 125 N -4.58 0.50 -0.18 4.02 0.52 -1.26 -1.45 118.95 116.51 1wi6 s ARG 125 Ca 0.58 -0.86 -0.09 0.00 -0.52 0.00 0.00 55.73 54.84 1wi6 s ARG 125 Cb -0.09 0.18 0.07 0.00 0.52 0.00 0.00 34.95 35.63 1wi6 s ARG 125 CO 0.37 -0.10 0.42 -1.17 0.02 0.00 0.00 175.30 174.83 1wi6 s LEU 126 N -2.16 -0.26 -1.46 2.53 2.96 -0.50 -4.90 118.68 114.88 1wi6 s LEU 126 Ca -0.05 0.93 -0.09 0.00 -0.22 0.00 0.00 54.13 54.70 1wi6 s LEU 126 Cb -0.01 1.37 0.05 0.00 0.50 0.00 0.00 46.19 48.10 1wi6 s LEU 126 CO -0.05 -0.21 0.82 0.54 -1.32 0.00 0.00 176.35 176.13 1wi6 n ARG 127 N 4.57 -5.43 -3.03 1.98 5.12 -1.26 -2.03 116.66 116.58 1wi6 n ARG 127 Ca -0.19 0.71 -0.12 0.00 -1.93 0.00 0.00 57.85 56.32 1wi6 n ARG 127 Cb 0.54 -5.60 0.07 0.00 -1.16 0.00 0.00 32.46 26.31 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 -4.38 -4.70 -3.76 5.56 -0.58 -1.26 -5.04 120.64 106.49 1wi6 n GLU 128 Ca -0.02 0.62 -0.13 0.00 -0.42 0.00 0.00 57.16 57.21 1wi6 n GLU 128 Cb 0.56 -4.94 -0.09 0.00 -0.57 0.00 0.00 31.44 26.39 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 -4.95 0.57 -0.17 3.49 1.04 -0.86 -5.14 118.95 112.93 1wi6 s ARG 129 Ca 0.01 0.06 -0.29 0.00 -1.04 0.00 0.00 55.73 54.48 1wi6 s ARG 129 Cb -0.00 0.26 -0.00 0.00 -2.04 0.00 0.00 34.95 33.17 1wi6 s ARG 129 CO 0.53 -0.13 1.00 -1.83 -0.04 0.00 0.00 175.30 174.83 1wi6 s GLU 130 N -0.77 4.32 -0.15 3.89 -1.05 -1.26 -1.41 118.70 122.28 1wi6 s GLU 130 Ca -0.09 1.32 -0.11 0.00 -0.15 0.00 0.00 54.97 55.94 1wi6 s GLU 130 Cb -0.04 -3.59 -0.05 0.00 -0.44 0.00 0.00 34.13 30.01 1wi6 s GLU 130 CO 0.03 -0.47 0.21 -0.51 0.95 0.00 0.00 175.26 175.47 1wi6 s LEU 131 N 2.61 4.28 -0.04 1.83 1.43 -0.53 -4.86 118.68 123.40 1wi6 s LEU 131 Ca 0.45 0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 53.99 1wi6 s LEU 131 Cb -0.16 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1wi6 s LEU 131 CO 0.11 0.21 0.02 -0.44 0.23 0.00 0.00 176.35 176.49 1wi6 s SER 132 N -0.02 5.29 -0.03 2.29 0.01 -1.07 -4.08 113.70 116.08 1wi6 s SER 132 Ca 0.14 0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.46 1wi6 s SER 132 Cb -0.12 -1.46 0.01 0.00 0.21 0.00 0.00 66.02 64.66 1wi6 s SER 132 CO 0.03 0.32 0.09 -0.69 0.41 0.00 0.00 173.24 173.39 1wi6 s VAL 133 N -1.03 -0.01 0.11 3.43 1.01 -1.26 0.14 120.40 122.79 1wi6 s VAL 133 Ca 0.18 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 1wi6 s VAL 133 Cb -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1wi6 s VAL 133 CO 0.08 0.01 0.24 0.00 0.00 0.00 0.00 175.10 175.42 1wi6 s GLN 134 N 0.16 0.93 0.45 2.72 0.00 -0.84 -4.93 119.66 118.15 1wi6 s GLN 134 Ca -0.01 -0.96 -0.24 0.00 -0.00 0.00 0.00 55.36 54.15 1wi6 s GLN 134 Cb -0.02 0.37 -0.08 0.00 0.00 0.00 0.00 33.01 33.28 1wi6 s GLN 134 CO -0.00 -0.32 1.25 -0.51 0.00 0.00 0.00 175.29 175.71 1wi6 s LEU 135 N -2.87 4.09 0.44 2.60 1.43 -1.26 -1.27 118.68 121.83 1wi6 s LEU 135 Ca 0.07 2.52 -0.25 0.00 -1.03 0.00 0.00 54.13 55.43 1wi6 s LEU 135 Cb 0.04 -4.09 -0.08 0.00 0.03 0.00 0.00 46.19 42.09 1wi6 s LEU 135 CO -0.09 -0.97 1.29 -1.10 0.23 0.00 0.00 176.35 175.72 1wi6 s GLN 136 N -2.50 3.81 -0.28 1.70 -0.21 -0.13 -4.75 119.66 117.30 1wi6 s GLN 136 Ca 0.61 2.12 -0.29 0.00 0.02 0.00 0.00 55.36 57.83 1wi6 s GLN 136 Cb -0.34 -2.63 -0.02 0.00 1.00 0.00 0.00 33.01 31.02 1wi6 s GLN 136 CO 0.43 -0.61 1.65 -1.25 -2.12 0.00 0.00 175.29 173.39 1wi6 s PRO 137 N -2.41 3.62 -0.81 2.91 0.04 -1.26 -4.89 135.00 132.19 1wi6 s PRO 137 Ca 0.60 1.51 -0.25 0.00 0.04 0.00 0.00 61.00 62.90 1wi6 s PRO 137 Cb -0.37 -4.09 -0.15 0.00 0.04 0.00 0.00 34.50 29.93 1wi6 s PRO 137 CO 0.47 -1.51 2.39 0.25 0.04 0.00 0.00 177.00 178.64 1wi6 n THR 138 N 6.82 0.00 -2.87 1.26 -2.24 -1.26 -2.13 114.28 113.86 1wi6 n THR 138 Ca 0.20 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 1wi6 n THR 138 Cb 0.46 -1.88 0.05 0.00 -2.10 0.00 0.00 70.33 66.85 1wi6 n THR 138 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1wi6 n ASP 139 N 18.08 -2.71 -0.38 3.42 -0.08 -1.26 -4.93 116.55 128.69 1wi6 n ASP 139 Ca 0.48 -0.32 -0.07 0.00 -1.51 0.00 0.00 54.79 53.37 1wi6 n ASP 139 Cb 0.42 -3.00 -0.04 0.00 2.34 0.00 0.00 41.12 40.84 1wi6 n ASP 139 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wi6 h ALA 140 N 0.51 -0.26 -2.32 -1.67 0.00 -1.83 -3.39 119.26 110.29 1wi6 h ALA 140 Ca -0.32 0.18 -0.50 0.00 0.00 0.00 0.00 54.91 54.28 1wi6 h ALA 140 Cb 1.19 1.20 0.02 0.00 0.00 0.00 0.00 17.79 20.20 1wi6 h ALA 140 CO 0.28 -0.83 0.11 -1.17 0.00 0.00 0.00 179.25 177.64 1wi6 s LEU 141 N -10.68 3.76 0.05 0.00 2.96 -1.26 -5.10 118.68 108.41 1wi6 s LEU 141 Ca -0.13 1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 54.81 1wi6 s LEU 141 Cb 0.15 -3.96 -0.03 0.00 0.50 0.00 0.00 46.19 42.85 1wi6 s LEU 141 CO 0.66 -0.46 0.00 -0.76 -1.32 0.00 0.00 176.35 174.47 1wi6 s LEU 142 N -4.16 2.28 -0.01 -0.68 1.43 -1.26 -5.07 118.68 111.21 1wi6 s LEU 142 Ca 0.50 -0.84 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 1wi6 s LEU 142 Cb -0.10 0.30 -0.17 0.00 0.03 0.00 0.00 46.19 46.24 1wi6 s LEU 142 CO 0.36 -0.55 1.20 0.00 0.23 0.00 0.00 176.35 177.58 1wi6 n SER 144 N -5.01 -3.44 -0.62 0.00 3.41 -1.26 -5.01 113.62 101.69 1wi6 n SER 144 Ca -0.09 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1wi6 n SER 144 Cb 0.25 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1wi6 n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wi6 n GLY 145 N 2.78 2.35 3.56 5.00 0.00 -1.26 -5.08 105.19 112.54 1wi6 n GLY 145 Ca 0.00 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.86 2.54 0.16 1.61 0.04 -1.26 -4.92 135.00 132.31 1wi6 s PRO 146 Ca 0.00 -0.51 0.06 0.00 0.04 0.00 0.00 61.00 60.60 1wi6 s PRO 146 Cb 0.00 -5.11 -0.04 0.00 0.04 0.00 0.00 34.50 29.39 1wi6 s PRO 146 CO 0.00 -3.53 -0.13 -1.12 0.04 0.00 0.00 177.00 172.26 1wi6 s SER 147 N 7.65 2.18 0.32 6.66 0.01 -1.26 -5.13 113.70 124.13 1wi6 s SER 147 Ca 0.70 -0.95 -0.29 0.00 1.31 0.00 0.00 55.95 56.72 1wi6 s SER 147 Cb -0.05 -0.08 -0.10 0.00 0.21 0.00 0.00 66.02 66.00 1wi6 s SER 147 CO 0.03 -0.20 1.22 -0.44 0.41 0.00 0.00 173.24 174.25 1wi6 s SER 148 N -2.98 6.95 0.00 2.44 0.01 -1.26 -5.29 113.70 113.57 1wi6 s SER 148 Ca 0.16 2.50 0.00 0.00 1.31 0.00 0.00 55.95 59.92 1wi6 s SER 148 Cb -0.01 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1wi6 s SER 148 CO 0.04 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.91