#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uw4 n SER 51 N 0.00 3.95 -4.64 -1.43 3.41 -1.26 -5.01 113.62 108.64 1uw4 n SER 51 Ca 0.00 -0.09 -0.41 0.00 -0.26 0.00 0.00 58.87 58.10 1uw4 n SER 51 Cb 0.00 0.98 -0.05 0.00 -0.26 0.00 0.00 64.21 64.88 1uw4 n SER 51 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1uw4 s LYS 52 N -1.77 4.18 -0.07 4.33 2.20 -1.26 -1.73 119.74 125.62 1uw4 s LYS 52 Ca 0.00 0.85 0.05 0.00 -0.36 0.00 0.00 55.97 56.52 1uw4 s LYS 52 Cb 0.00 -3.64 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 1uw4 s LYS 52 CO 0.00 -0.47 -0.24 0.08 -0.36 0.00 0.00 175.35 174.35 1uw4 s VAL 53 N 2.69 2.08 -0.09 4.02 1.01 0.09 -1.34 120.40 128.86 1uw4 s VAL 53 Ca 0.33 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1uw4 s VAL 53 Cb -0.15 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1uw4 s VAL 53 CO 0.08 0.57 0.06 0.54 0.00 0.00 0.00 175.10 176.34 1uw4 s VAL 54 N 0.02 4.77 -0.23 2.92 0.11 -0.11 -1.24 120.40 126.66 1uw4 s VAL 54 Ca -0.09 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1uw4 s VAL 54 Cb -0.15 -3.05 0.05 0.00 -1.53 0.00 0.00 36.38 31.70 1uw4 s VAL 54 CO 0.06 0.60 -0.11 -0.51 -3.33 0.00 0.00 175.10 171.80 1uw4 s ILE 55 N -0.96 1.93 0.28 7.04 2.07 -0.42 -2.01 121.20 129.14 1uw4 s ILE 55 Ca 0.14 -1.34 0.03 0.00 -1.41 0.00 0.00 60.65 58.08 1uw4 s ILE 55 Cb -0.12 -2.02 -0.06 0.00 0.13 0.00 0.00 42.46 40.40 1uw4 s ILE 55 CO 0.04 0.08 0.05 0.00 -1.91 0.00 0.00 174.94 173.19 1uw4 s ARG 56 N 1.24 1.51 -1.17 3.50 1.70 -0.19 -1.33 118.95 124.21 1uw4 s ARG 56 Ca -0.05 -1.82 -0.02 0.00 -0.47 0.00 0.00 55.73 53.37 1uw4 s ARG 56 Cb -0.18 -0.67 0.00 0.00 -0.57 0.00 0.00 34.95 33.53 1uw4 s ARG 56 CO -0.07 -0.18 0.30 0.54 -1.08 0.00 0.00 175.30 174.81 1uw4 n ARG 57 N -0.56 -2.78 -1.92 3.89 1.74 -1.17 -1.75 116.66 114.11 1uw4 n ARG 57 Ca -0.02 0.68 -0.32 0.00 -0.77 0.00 0.00 57.85 57.42 1uw4 n ARG 57 Cb 0.66 -5.01 0.01 0.00 -1.02 0.00 0.00 32.46 27.10 1uw4 n ARG 57 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1uw4 s LEU 58 N -4.73 3.34 0.31 0.55 1.43 -0.35 -4.58 118.68 114.65 1uw4 s LEU 58 Ca 0.15 1.61 -0.29 0.00 -1.03 0.00 0.00 54.13 54.57 1uw4 s LEU 58 Cb -0.07 -4.50 -0.13 0.00 0.03 0.00 0.00 46.19 41.52 1uw4 s LEU 58 CO 0.18 -1.07 1.27 -2.65 0.23 0.00 0.00 176.35 174.30 1uw4 n PRO 59 N -2.46 1.96 0.27 1.29 -0.02 -1.26 -1.56 135.00 133.22 1uw4 n PRO 59 Ca 0.07 0.69 0.18 0.00 -2.02 0.00 0.00 63.50 62.43 1uw4 n PRO 59 Cb 0.54 -2.25 0.87 0.00 -0.02 0.00 0.00 33.50 32.63 1uw4 n PRO 59 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1uw4 h PRO 60 N 2.84 0.00 -0.34 0.52 0.13 -1.88 -2.27 132.00 131.01 1uw4 h PRO 60 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1uw4 h PRO 60 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1uw4 h PRO 60 CO 0.65 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.67 1uw4 n THR 61 N -2.89 1.74 -2.35 1.56 -2.24 -1.26 -4.78 114.28 104.05 1uw4 n THR 61 Ca -0.01 -1.46 -0.35 0.00 -2.27 0.00 0.00 64.05 59.96 1uw4 n THR 61 Cb 0.17 0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.47 1uw4 n THR 61 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1uw4 s LEU 62 N -2.01 3.88 0.28 3.22 2.96 -0.85 -5.06 118.68 121.10 1uw4 s LEU 62 Ca 0.36 2.14 0.09 0.00 -0.22 0.00 0.00 54.13 56.50 1uw4 s LEU 62 Cb 0.25 -4.44 -0.04 0.00 0.50 0.00 0.00 46.19 42.46 1uw4 s LEU 62 CO 0.13 -0.96 0.03 0.42 -1.32 0.00 0.00 176.35 174.65 1uw4 s THR 63 N -1.75 3.39 0.23 3.68 -4.23 -1.26 -5.03 115.64 110.68 1uw4 s THR 63 Ca 0.67 -1.86 -0.06 0.00 -1.18 0.00 0.00 61.69 59.27 1uw4 s THR 63 Cb -0.23 -2.89 0.19 0.00 1.34 0.00 0.00 72.50 70.91 1uw4 s THR 63 CO 0.27 -0.34 1.75 0.50 -0.54 0.00 0.00 174.62 176.27 1uw4 h LYS 64 N 1.81 0.49 -0.28 3.99 3.64 -1.97 -1.70 116.57 122.55 1uw4 h LYS 64 Ca -0.44 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 1uw4 h LYS 64 Cb 1.25 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1uw4 h LYS 64 CO 0.61 0.32 -0.02 0.93 -2.27 0.00 0.00 179.45 179.03 1uw4 h GLU 65 N 0.50 0.50 -0.89 1.90 3.07 -1.99 -1.25 114.58 116.41 1uw4 h GLU 65 Ca 0.37 -0.17 0.02 0.00 -0.50 0.00 0.00 59.36 59.09 1uw4 h GLU 65 Cb 0.48 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.31 1uw4 h GLU 65 CO -0.33 0.67 0.59 1.96 -1.40 0.00 0.00 179.01 180.50 1uw4 h GLN 66 N 0.28 1.12 -0.67 2.33 4.20 -1.92 -2.00 115.11 118.46 1uw4 h GLN 66 Ca 0.08 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1uw4 h GLN 66 Cb 0.45 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1uw4 h GLN 66 CO 0.02 0.74 0.32 1.25 -0.67 0.00 0.00 178.83 180.49 1uw4 h LEU 67 N 1.16 0.88 -0.78 1.46 6.46 -0.99 -2.81 115.31 120.69 1uw4 h LEU 67 Ca 0.34 -0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1uw4 h LEU 67 Cb -0.05 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 39.62 1uw4 h LEU 67 CO -0.09 0.76 0.47 -0.61 -0.62 0.00 0.00 178.44 178.35 1uw4 h GLN 68 N 0.93 1.05 -0.53 1.25 4.15 -0.57 -1.87 115.11 119.52 1uw4 h GLN 68 Ca 0.23 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.56 1uw4 h GLN 68 Cb 0.12 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1uw4 h GLN 68 CO -0.03 0.74 0.35 0.93 -1.93 0.00 0.00 178.83 178.90 1uw4 h GLU 69 N 1.06 0.69 -0.05 1.69 5.08 -1.14 -2.05 114.58 119.87 1uw4 h GLU 69 Ca 0.28 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.38 1uw4 h GLU 69 Cb -0.04 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1uw4 h GLU 69 CO -0.05 0.46 -0.87 0.45 -1.00 0.00 0.00 179.01 177.99 1uw4 h HIS 70 N 0.71 0.73 0.00 4.33 3.86 -1.29 -3.35 115.15 120.15 1uw4 h HIS 70 Ca 0.20 -0.36 -0.15 0.00 -1.16 0.00 0.00 60.37 58.89 1uw4 h HIS 70 Cb -0.07 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1uw4 h HIS 70 CO -0.00 1.17 -0.71 -0.07 0.86 0.00 0.00 177.93 179.18 1uw4 h LEU 71 N 0.32 0.00-10.04 2.43 3.38 -0.76 -3.47 115.31 107.17 1uw4 h LEU 71 Ca -0.07 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.38 1uw4 h LEU 71 Cb 1.49 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.33 1uw4 h LEU 71 CO 0.16 0.71 0.51 0.00 0.09 0.00 0.00 178.44 179.90 1uw4 s GLN 72 N -2.91 3.42 0.02 1.13 -2.07 -0.83 -4.10 119.66 114.32 1uw4 s GLN 72 Ca 0.02 1.88 -0.30 0.00 -1.82 0.00 0.00 55.36 55.14 1uw4 s GLN 72 Cb 0.09 -2.24 -0.06 0.00 -1.09 0.00 0.00 33.01 29.71 1uw4 s GLN 72 CO 0.77 -0.86 1.34 -1.25 -1.32 0.00 0.00 175.29 173.98 1uw4 s PRO 73 N -2.93 4.32 0.19 9.60 0.04 -1.26 -5.05 135.00 139.90 1uw4 s PRO 73 Ca 0.69 1.91 -0.30 0.00 0.04 0.00 0.00 61.00 63.34 1uw4 s PRO 73 Cb -0.31 -3.50 -0.08 0.00 0.04 0.00 0.00 34.50 30.66 1uw4 s PRO 73 CO 0.37 -0.50 1.04 -1.64 0.04 0.00 0.00 177.00 176.31 1uw4 s MET 74 N 2.01 4.67 0.84 4.56 -1.94 -1.26 -5.05 119.30 123.14 1uw4 s MET 74 Ca 0.62 1.63 -0.12 0.00 -1.71 0.00 0.00 55.69 56.11 1uw4 s MET 74 Cb -0.31 -3.29 0.10 0.00 2.01 0.00 0.00 34.83 33.34 1uw4 s MET 74 CO 0.27 0.20 1.11 -1.25 -0.01 0.00 0.00 175.02 175.34 1uw4 s PRO 75 N -0.57 1.72 0.18 2.03 0.04 -1.26 -4.96 135.00 132.18 1uw4 s PRO 75 Ca 0.47 0.53 -0.32 0.00 0.04 0.00 0.00 61.00 61.72 1uw4 s PRO 75 Cb -0.28 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1uw4 s PRO 75 CO 0.34 -1.85 1.67 -1.21 0.04 0.00 0.00 177.00 175.98 1uw4 s GLU 76 N -5.19 4.16 -0.04 4.56 2.02 -1.26 -5.00 118.70 117.96 1uw4 s GLU 76 Ca 0.62 2.50 -0.06 0.00 0.02 0.00 0.00 54.97 58.05 1uw4 s GLU 76 Cb -0.15 -3.17 0.01 0.00 0.10 0.00 0.00 34.13 30.93 1uw4 s GLU 76 CO 0.54 -0.70 0.14 -3.38 0.02 0.00 0.00 175.26 171.88 1uw4 s HIS 77 N 1.34 -0.12 0.11 1.61 -3.43 -1.26 -2.78 115.29 110.76 1uw4 s HIS 77 Ca 0.73 0.28 -0.14 0.00 -0.80 0.00 0.00 55.06 55.14 1uw4 s HIS 77 Cb -0.47 0.03 -0.07 0.00 -1.43 0.00 0.00 32.58 30.64 1uw4 s HIS 77 CO 0.32 -0.12 1.44 -0.44 -2.00 0.00 0.00 174.74 173.94 1uw4 h ASP 78 N 5.57 0.81 -4.71 7.38 5.19 -1.59 -3.48 116.42 125.59 1uw4 h ASP 78 Ca -0.26 -0.46 -0.17 0.00 -0.62 0.00 0.00 57.03 55.52 1uw4 h ASP 78 Cb 1.20 -0.23 -0.22 0.00 0.18 0.00 0.00 39.33 40.26 1uw4 h ASP 78 CO 0.41 1.10 -0.61 -0.47 -3.12 0.00 0.00 179.24 176.55 1uw4 s TYR 79 N -4.41 0.11 -0.30 4.55 5.04 -1.26 -4.99 117.35 116.09 1uw4 s TYR 79 Ca -0.12 -0.23 -0.05 0.00 -2.44 0.00 0.00 57.07 54.23 1uw4 s TYR 79 Cb 0.09 -0.09 0.19 0.00 0.35 0.00 0.00 41.96 42.50 1uw4 s TYR 79 CO 0.84 -0.19 0.83 0.12 -1.34 0.00 0.00 175.55 175.81 1uw4 s PHE 80 N -1.10 -1.11 0.03 4.97 5.99 -1.25 -2.61 117.98 122.89 1uw4 s PHE 80 Ca -0.12 0.86 0.01 0.00 0.00 0.00 0.00 56.93 57.68 1uw4 s PHE 80 Cb -0.07 0.27 -0.02 0.00 0.00 0.00 0.00 43.02 43.20 1uw4 s PHE 80 CO 0.00 -0.63 -0.05 -1.21 -0.00 0.00 0.00 175.22 173.33 1uw4 s GLU 81 N 2.90 0.40 -0.09 10.12 0.41 -1.01 -5.01 118.70 126.43 1uw4 s GLU 81 Ca 0.15 -0.61 -0.02 0.00 -0.41 0.00 0.00 54.97 54.08 1uw4 s GLU 81 Cb -0.09 -0.12 -0.03 0.00 -1.78 0.00 0.00 34.13 32.11 1uw4 s GLU 81 CO -0.21 0.01 -0.01 0.12 -0.49 0.00 0.00 175.26 174.69 1uw4 s PHE 82 N -1.24 3.13 0.02 1.61 5.36 -1.26 -2.17 117.98 123.42 1uw4 s PHE 82 Ca -0.11 0.15 0.02 0.00 -0.96 0.00 0.00 56.93 56.03 1uw4 s PHE 82 Cb -0.09 -1.79 -0.01 0.00 -0.34 0.00 0.00 43.02 40.79 1uw4 s PHE 82 CO -0.00 0.42 -0.06 -0.06 -1.46 0.00 0.00 175.22 174.06 1uw4 s PHE 83 N -0.80 0.51 0.28 10.12 0.40 0.14 -5.00 117.98 123.62 1uw4 s PHE 83 Ca 0.12 -0.31 -0.19 0.00 -0.60 0.00 0.00 56.93 55.95 1uw4 s PHE 83 Cb -0.11 -0.31 0.06 0.00 0.51 0.00 0.00 43.02 43.16 1uw4 s PHE 83 CO 0.02 -0.06 0.90 -1.54 0.70 0.00 0.00 175.22 175.25 1uw4 s SER 84 N -0.89 -0.02 -1.42 1.36 1.04 -1.26 -0.91 113.70 111.59 1uw4 s SER 84 Ca -0.05 -0.86 -0.12 0.00 0.48 0.00 0.00 55.95 55.39 1uw4 s SER 84 Cb -0.06 0.67 0.09 0.00 0.10 0.00 0.00 66.02 66.82 1uw4 s SER 84 CO 0.00 -1.32 0.63 0.59 0.98 0.00 0.00 173.24 174.12 1uw4 n ASN 85 N -1.21 -3.79 0.00 7.02 3.02 -1.26 -4.84 115.26 114.21 1uw4 n ASN 85 Ca -0.06 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1uw4 n ASN 85 Cb 0.60 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.66 1uw4 n ASN 85 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1uw4 n ASP 86 N -2.44 1.19 -4.84 6.41 5.75 -1.26 -5.08 116.55 116.28 1uw4 n ASP 86 Ca 0.02 -1.51 -0.31 0.00 -0.01 0.00 0.00 54.79 52.97 1uw4 n ASP 86 Cb 0.53 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.65 1uw4 n ASP 86 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1uw4 s THR 87 N -0.51 4.32 -2.18 2.12 -1.32 -1.26 -4.98 115.64 111.82 1uw4 s THR 87 Ca 0.00 0.76 0.20 0.00 -1.21 0.00 0.00 61.69 61.44 1uw4 s THR 87 Cb 0.00 -3.60 0.47 0.00 -1.51 0.00 0.00 72.50 67.86 1uw4 s THR 87 CO 0.00 -0.98 1.44 -1.54 -2.21 0.00 0.00 174.62 171.33 1uw4 n SER 88 N -2.95 2.92 -1.78 8.08 3.41 -1.26 -4.59 113.62 117.45 1uw4 n SER 88 Ca 0.07 -1.95 -0.19 0.00 -0.26 0.00 0.00 58.87 56.54 1uw4 n SER 88 Cb 0.54 -0.30 0.06 0.00 -0.26 0.00 0.00 64.21 64.25 1uw4 n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1uw4 n LEU 89 N 1.11 4.69 -4.65 1.04 4.77 -1.26 -5.05 117.00 117.65 1uw4 n LEU 89 Ca 0.19 -4.56 -0.43 0.00 -0.03 0.00 0.00 56.01 51.18 1uw4 n LEU 89 Cb 0.49 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1uw4 n LEU 89 CO 0.14 1.93 0.77 0.00 -1.33 0.00 0.00 177.39 178.90 1uw4 n TYR 90 N -0.80 1.87 -0.27 -1.77 9.36 -1.26 -1.52 117.16 122.77 1uw4 n TYR 90 Ca 0.41 0.61 -0.06 0.00 3.32 0.00 0.00 57.90 62.18 1uw4 n TYR 90 Cb 0.91 -2.35 0.17 0.00 -0.63 0.00 0.00 39.34 37.45 1uw4 n TYR 90 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1uw4 n PRO 91 N 0.60 2.51 -2.71 2.98 -0.04 -1.26 -5.07 135.00 132.01 1uw4 n PRO 91 Ca 0.07 -1.88 -0.43 0.00 -0.04 0.00 0.00 63.50 61.22 1uw4 n PRO 91 Cb 0.35 -1.83 -0.01 0.00 -0.04 0.00 0.00 33.50 31.96 1uw4 n PRO 91 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1uw4 s HIS 92 N -2.04 2.96 -0.24 0.54 3.76 -0.57 -4.97 115.29 114.73 1uw4 s HIS 92 Ca 0.34 -1.58 -0.11 0.00 -0.15 0.00 0.00 55.06 53.57 1uw4 s HIS 92 Cb 0.28 -4.57 -0.05 0.00 1.11 0.00 0.00 32.58 29.34 1uw4 s HIS 92 CO 0.08 -1.69 0.17 -1.64 -0.85 0.00 0.00 174.74 170.81 1uw4 s MET 93 N 3.50 4.07 0.11 1.40 -1.94 -1.26 -4.86 119.30 120.33 1uw4 s MET 93 Ca 0.47 -0.24 0.00 0.00 -1.71 0.00 0.00 55.69 54.21 1uw4 s MET 93 Cb 0.00 -3.54 -0.04 0.00 2.01 0.00 0.00 34.83 33.26 1uw4 s MET 93 CO 0.00 0.05 -0.01 0.71 -0.01 0.00 0.00 175.02 175.77 1uw4 s TYR 94 N 1.08 0.86 0.30 -0.03 2.02 -1.26 -4.27 117.35 116.05 1uw4 s TYR 94 Ca 0.08 -1.07 0.11 0.00 -0.37 0.00 0.00 57.07 55.83 1uw4 s TYR 94 Cb -0.14 -0.51 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 1uw4 s TYR 94 CO 0.05 -0.32 -0.16 0.00 -1.57 0.00 0.00 175.55 173.55 1uw4 s ALA 95 N -3.82 2.84 0.28 3.71 0.00 -0.60 -4.16 121.76 120.00 1uw4 s ALA 95 Ca 0.17 -1.93 -0.21 0.00 0.00 0.00 0.00 51.96 49.99 1uw4 s ALA 95 Cb 0.07 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1uw4 s ALA 95 CO -0.02 0.22 0.77 -0.98 0.00 0.00 0.00 175.76 175.75 1uw4 s ARG 96 N -3.55 1.76 0.07 0.00 1.70 -0.09 -1.21 118.95 117.63 1uw4 s ARG 96 Ca 0.31 -1.01 -0.14 0.00 -0.47 0.00 0.00 55.73 54.42 1uw4 s ARG 96 Cb -0.03 0.58 0.02 0.00 -0.57 0.00 0.00 34.95 34.95 1uw4 s ARG 96 CO 0.16 -0.81 0.32 0.00 -1.08 0.00 0.00 175.30 173.89 1uw4 s ALA 97 N -3.54 -0.70 -0.02 7.88 0.00 -0.44 -0.69 121.76 124.25 1uw4 s ALA 97 Ca 0.12 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.07 1uw4 s ALA 97 Cb -0.05 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 1uw4 s ALA 97 CO 0.07 -0.48 -0.22 0.71 0.00 0.00 0.00 175.76 175.84 1uw4 s TYR 98 N -3.03 1.97 -0.04 0.00 2.02 -0.92 -1.30 117.35 116.04 1uw4 s TYR 98 Ca -0.02 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1uw4 s TYR 98 Cb 0.01 -1.28 0.02 0.00 -0.40 0.00 0.00 41.96 40.31 1uw4 s TYR 98 CO -0.06 -0.06 -0.05 0.42 -1.57 0.00 0.00 175.55 174.23 1uw4 s ILE 99 N -0.43 0.52 -0.38 2.71 1.01 -0.37 -2.41 121.20 121.86 1uw4 s ILE 99 Ca 0.06 -0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.48 1uw4 s ILE 99 Cb -0.09 -0.53 0.05 0.00 0.01 0.00 0.00 42.46 41.90 1uw4 s ILE 99 CO -0.00 0.21 0.19 0.21 0.00 0.00 0.00 174.94 175.54 1uw4 s ASN 100 N 0.71 5.57 0.45 3.58 3.84 -1.07 -0.73 114.94 127.28 1uw4 s ASN 100 Ca -0.09 -1.20 -0.18 0.00 0.21 0.00 0.00 52.86 51.59 1uw4 s ASN 100 Cb -0.12 -1.96 -0.09 0.00 -0.55 0.00 0.00 41.25 38.52 1uw4 s ASN 100 CO 0.00 -0.41 0.93 -0.36 -2.79 0.00 0.00 177.10 174.47 1uw4 s PHE 101 N 1.46 3.38 -0.05 0.43 0.40 -0.70 -1.49 117.98 121.41 1uw4 s PHE 101 Ca 0.01 1.48 -0.11 0.00 -0.60 0.00 0.00 56.93 57.71 1uw4 s PHE 101 Cb -0.20 -2.77 -0.30 0.00 0.51 0.00 0.00 43.02 40.25 1uw4 s PHE 101 CO 0.04 -0.18 0.65 0.87 0.70 0.00 0.00 175.22 177.29 1uw4 h LYS 102 N 1.54 0.39 -6.44 0.44 1.79 -1.87 -3.46 116.57 108.96 1uw4 h LYS 102 Ca -0.48 -0.66 -0.63 0.00 -2.18 0.00 0.00 60.65 56.70 1uw4 h LYS 102 Cb 1.18 0.25 -0.15 0.00 -1.58 0.00 0.00 32.23 31.93 1uw4 h LYS 102 CO 0.62 1.31 -0.75 -0.80 -1.08 0.00 0.00 179.45 178.75 1uw4 s ASN 103 N -7.28 3.92 0.11 0.86 0.01 -1.26 -5.07 114.94 106.23 1uw4 s ASN 103 Ca -0.16 -0.74 -0.05 0.00 -0.71 0.00 0.00 52.86 51.20 1uw4 s ASN 103 Cb 0.05 -0.52 -0.17 0.00 0.41 0.00 0.00 41.25 41.03 1uw4 s ASN 103 CO 0.85 0.09 1.24 1.56 -1.51 0.00 0.00 177.10 179.33 1uw4 h GLN 104 N 2.81 0.36 0.00 -0.60 4.20 -1.95 -3.29 115.11 116.65 1uw4 h GLN 104 Ca -0.45 -0.46 -0.06 0.00 0.06 0.00 0.00 58.65 57.74 1uw4 h GLN 104 Cb 1.22 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 1uw4 h GLN 104 CO 0.54 1.15 -0.26 1.05 -0.67 0.00 0.00 178.83 180.64 1uw4 h GLU 105 N 0.17 0.00 0.00 1.46 4.11 -2.02 -2.73 114.58 115.57 1uw4 h GLU 105 Ca -0.10 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.28 1uw4 h GLU 105 Cb 1.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1uw4 h GLU 105 CO 0.18 0.26 -0.21 -0.44 0.07 0.00 0.00 179.01 178.88 1uw4 h ASP 106 N 0.00 0.00 -0.13 3.06 3.45 -2.01 -3.12 116.42 117.67 1uw4 h ASP 106 Ca -0.00 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.38 1uw4 h ASP 106 Cb 0.59 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.36 1uw4 h ASP 106 CO 0.03 0.21 -0.23 0.40 -1.57 0.00 0.00 179.24 178.08 1uw4 h ILE 107 N 0.00 1.37 -0.74 0.35 2.04 -1.62 -2.18 117.51 116.74 1uw4 h ILE 107 Ca -0.00 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.40 1uw4 h ILE 107 Cb 0.64 2.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 1uw4 h ILE 107 CO 0.03 0.43 0.48 0.40 0.00 0.00 0.00 178.15 179.49 1uw4 h ILE 108 N -0.02 1.15 -0.78 -0.67 2.04 -1.63 -2.23 117.51 115.38 1uw4 h ILE 108 Ca 0.01 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1uw4 h ILE 108 Cb 0.81 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1uw4 h ILE 108 CO 0.05 0.18 0.47 -0.07 0.00 0.00 0.00 178.15 178.77 1uw4 h LEU 109 N 0.96 0.93 -0.82 1.44 3.38 -1.54 -2.28 115.31 117.38 1uw4 h LEU 109 Ca 0.28 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1uw4 h LEU 109 Cb -0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1uw4 h LEU 109 CO -0.08 0.73 -0.02 0.15 0.09 0.00 0.00 178.44 179.30 1uw4 h PHE 110 N 1.06 0.93 0.00 1.13 3.57 -0.81 -2.36 116.94 120.47 1uw4 h PHE 110 Ca 0.28 -0.15 -0.16 0.00 3.53 0.00 0.00 57.97 61.48 1uw4 h PHE 110 Cb -0.04 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 1uw4 h PHE 110 CO -0.01 0.86 -0.98 0.07 -2.23 0.00 0.00 178.31 176.02 1uw4 h ARG 111 N 0.80 0.00 -0.64 1.11 -0.00 -1.43 -1.41 114.38 112.81 1uw4 h ARG 111 Ca 0.15 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 60.19 1uw4 h ARG 111 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.44 1uw4 h ARG 111 CO 0.03 0.50 0.42 -0.44 -0.00 0.00 0.00 179.97 180.47 1uw4 h ASP 112 N 0.00 0.55 0.16 0.08 3.32 -1.28 -2.16 116.42 117.10 1uw4 h ASP 112 Ca -0.08 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.65 1uw4 h ASP 112 Cb 1.55 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1uw4 h ASP 112 CO 0.07 0.36 -1.64 -0.09 -1.72 0.00 0.00 179.24 176.22 1uw4 h ARG 113 N 0.63 0.34 -0.00 3.56 2.43 -1.32 -3.43 114.38 116.59 1uw4 h ARG 113 Ca 0.27 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1uw4 h ARG 113 Cb 0.27 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1uw4 h ARG 113 CO -0.08 1.28 -0.17 1.19 -1.51 0.00 0.00 179.97 180.68 1uw4 n PHE 114 N -3.71 0.00 -2.31 2.20 3.01 -0.54 -4.68 117.46 111.44 1uw4 n PHE 114 Ca -0.25 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.78 1uw4 n PHE 114 Cb 1.01 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.46 1uw4 n PHE 114 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1uw4 s ASP 115 N -1.23 6.61 0.00 4.37 2.15 -0.81 -2.47 116.67 125.29 1uw4 s ASP 115 Ca 0.02 1.43 0.00 0.00 0.43 0.00 0.00 52.55 54.44 1uw4 s ASP 115 Cb 0.03 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1uw4 s ASP 115 CO 0.16 -1.10 0.00 0.61 -0.17 0.00 0.00 175.17 174.67 1uw4 n GLY 116 N 4.34 0.94 3.69 2.66 0.00 -0.59 -4.94 105.19 111.28 1uw4 n GLY 116 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1uw4 n GLY 116 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1uw4 n TYR 117 N -2.00 2.56 -2.97 1.61 9.36 -1.03 -4.52 117.16 120.17 1uw4 n TYR 117 Ca 0.00 -0.04 -0.42 0.00 3.32 0.00 0.00 57.90 60.76 1uw4 n TYR 117 Cb 0.00 -2.69 -0.05 0.00 -0.63 0.00 0.00 39.34 35.97 1uw4 n TYR 117 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1uw4 s VAL 118 N 2.33 4.71 0.40 2.97 1.01 -1.26 -2.21 120.40 128.35 1uw4 s VAL 118 Ca 0.81 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 63.45 1uw4 s VAL 118 Cb -0.54 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 1uw4 s VAL 118 CO 0.38 -0.54 0.68 -0.36 0.00 0.00 0.00 175.10 175.26 1uw4 s PHE 119 N 3.16 3.52 0.11 5.22 0.40 -0.85 -4.92 117.98 124.62 1uw4 s PHE 119 Ca 0.30 0.68 0.08 0.00 -0.60 0.00 0.00 56.93 57.40 1uw4 s PHE 119 Cb -0.13 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 1uw4 s PHE 119 CO 0.19 -0.08 -0.21 -0.51 0.70 0.00 0.00 175.22 175.32 1uw4 s LEU 120 N -4.33 2.31 0.00 -0.37 1.43 -1.26 -1.62 118.68 114.84 1uw4 s LEU 120 Ca 0.45 -0.70 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1uw4 s LEU 120 Cb -0.10 -0.88 0.06 0.00 0.03 0.00 0.00 46.19 45.29 1uw4 s LEU 120 CO 0.39 0.05 0.45 -0.90 0.23 0.00 0.00 176.35 176.57 1uw4 n ASP 121 N 1.01 0.98 -0.20 2.29 5.75 -1.22 -4.93 116.55 120.23 1uw4 n ASP 121 Ca -0.19 -1.74 0.01 0.00 -0.01 0.00 0.00 54.79 52.86 1uw4 n ASP 121 Cb 0.54 -0.26 0.11 0.00 -1.03 0.00 0.00 41.12 40.48 1uw4 n ASP 121 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 1uw4 h ASN 122 N -0.07 -0.03 -0.02 -1.12 -0.73 -1.97 -2.89 115.58 108.76 1uw4 h ASN 122 Ca -0.15 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1uw4 h ASN 122 Cb 0.65 0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.40 1uw4 h ASN 122 CO 0.20 -0.00 0.00 0.29 -0.37 0.00 0.00 177.43 177.54 1uw4 n LYS 123 N -5.14 1.27 -0.57 6.67 4.76 -1.26 -4.90 118.16 118.99 1uw4 n LYS 123 Ca 0.09 -0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.13 1uw4 n LYS 123 Cb 0.33 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1uw4 n LYS 123 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uw4 n GLY 124 N 1.03 0.70 3.76 0.72 0.00 -1.09 -5.05 105.19 105.26 1uw4 n GLY 124 Ca 0.20 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1uw4 n GLY 124 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uw4 s GLN 125 N -0.55 4.56 0.18 1.61 -0.21 -1.26 -4.90 119.66 119.08 1uw4 s GLN 125 Ca 0.00 1.89 -0.23 0.00 0.02 0.00 0.00 55.36 57.04 1uw4 s GLN 125 Cb 0.00 -3.18 -0.08 0.00 1.00 0.00 0.00 33.01 30.75 1uw4 s GLN 125 CO 0.00 0.08 0.74 -1.21 -2.12 0.00 0.00 175.29 172.78 1uw4 s GLU 126 N -1.23 4.42 -0.42 2.91 2.02 -1.26 -3.42 118.70 121.71 1uw4 s GLU 126 Ca 0.47 1.02 0.02 0.00 0.02 0.00 0.00 54.97 56.50 1uw4 s GLU 126 Cb -0.33 -3.12 0.15 0.00 0.10 0.00 0.00 34.13 30.93 1uw4 s GLU 126 CO 0.42 0.51 0.28 0.71 0.02 0.00 0.00 175.26 177.20 1uw4 s TYR 127 N -1.28 1.36 0.13 1.61 1.51 -0.64 -5.02 117.35 115.03 1uw4 s TYR 127 Ca 0.38 -2.16 -0.31 0.00 -1.01 0.00 0.00 57.07 53.97 1uw4 s TYR 127 Cb -0.20 -1.30 -0.10 0.00 -0.11 0.00 0.00 41.96 40.24 1uw4 s TYR 127 CO 0.24 -0.80 1.75 -1.25 -1.11 0.00 0.00 175.55 174.38 1uw4 s PRO 128 N 0.41 4.15 0.56 -1.71 0.04 -1.26 -2.00 135.00 135.19 1uw4 s PRO 128 Ca 0.23 2.52 -0.12 0.00 0.04 0.00 0.00 61.00 63.66 1uw4 s PRO 128 Cb -0.14 -3.45 -0.05 0.00 0.04 0.00 0.00 34.50 30.90 1uw4 s PRO 128 CO -0.06 -0.78 0.98 0.00 0.04 0.00 0.00 177.00 177.18 1uw4 s ALA 129 N 2.24 3.13 -0.07 8.56 0.00 -0.94 -4.83 121.76 129.86 1uw4 s ALA 129 Ca 0.77 -0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.74 1uw4 s ALA 129 Cb -0.45 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1uw4 s ALA 129 CO 0.34 -0.47 -0.24 0.42 0.00 0.00 0.00 175.76 175.81 1uw4 s ILE 130 N -2.91 2.03 -0.16 0.00 1.01 -0.71 -1.55 121.20 118.91 1uw4 s ILE 130 Ca 0.55 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1uw4 s ILE 130 Cb -0.11 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.66 1uw4 s ILE 130 CO 0.44 0.56 -0.17 -0.69 0.00 0.00 0.00 174.94 175.09 1uw4 s VAL 131 N -0.05 1.77 0.17 2.92 1.01 -1.26 -1.02 120.40 123.93 1uw4 s VAL 131 Ca -0.07 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 1uw4 s VAL 131 Cb -0.15 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1uw4 s VAL 131 CO 0.05 0.49 0.20 -1.61 0.00 0.00 0.00 175.10 174.23 1uw4 s GLU 132 N 1.39 1.12 0.31 2.72 2.02 -0.85 -4.94 118.70 120.47 1uw4 s GLU 132 Ca 0.04 -1.35 -0.29 0.00 0.02 0.00 0.00 54.97 53.39 1uw4 s GLU 132 Cb -0.13 0.32 -0.11 0.00 0.10 0.00 0.00 34.13 34.31 1uw4 s GLU 132 CO -0.11 -0.38 1.49 -0.06 0.02 0.00 0.00 175.26 176.22 1uw4 s PHE 133 N -4.03 2.80 0.36 1.61 0.40 -1.26 -0.93 117.98 116.92 1uw4 s PHE 133 Ca 0.24 1.03 -0.28 0.00 -0.60 0.00 0.00 56.93 57.32 1uw4 s PHE 133 Cb 0.05 -3.95 -0.12 0.00 0.51 0.00 0.00 43.02 39.51 1uw4 s PHE 133 CO 0.04 -2.99 1.43 0.00 0.70 0.00 0.00 175.22 174.40 1uw4 n ALA 134 N 1.52 2.00 0.27 5.36 0.00 -0.45 -4.67 120.51 124.54 1uw4 n ALA 134 Ca 0.05 0.35 0.15 0.00 0.00 0.00 0.00 53.44 53.99 1uw4 n ALA 134 Cb 0.39 -2.36 0.71 0.00 0.00 0.00 0.00 19.45 18.19 1uw4 n ALA 134 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1uw4 h PRO 135 N 2.96 0.00 -5.10 0.00 0.13 -1.93 -3.39 132.00 124.66 1uw4 h PRO 135 Ca -0.49 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.97 1uw4 h PRO 135 Cb 1.26 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.06 1uw4 h PRO 135 CO 0.65 0.09 -0.82 0.12 -0.23 0.00 0.00 178.00 177.80 1uw4 s PHE 136 N -3.87 2.80 -2.52 1.56 5.36 -1.26 -5.03 117.98 115.02 1uw4 s PHE 136 Ca -0.01 -1.31 0.26 0.00 -0.96 0.00 0.00 56.93 54.91 1uw4 s PHE 136 Cb 0.11 -1.93 0.65 0.00 -0.34 0.00 0.00 43.02 41.51 1uw4 s PHE 136 CO 0.56 -0.64 1.51 1.04 -1.46 0.00 0.00 175.22 176.23 1uw4 n GLN 137 N 4.42 1.73 -2.40 10.12 1.13 -1.26 -4.92 117.38 126.20 1uw4 n GLN 137 Ca -0.20 -1.21 -0.42 0.00 -1.94 0.00 0.00 57.00 53.23 1uw4 n GLN 137 Cb 0.51 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 1uw4 n GLN 137 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1uw4 s LYS 138 N -2.11 4.43 0.08 -1.09 2.20 -1.26 -4.74 119.74 117.25 1uw4 s LYS 138 Ca 0.31 1.80 -0.15 0.00 -0.36 0.00 0.00 55.97 57.58 1uw4 s LYS 138 Cb 0.20 -3.33 -0.06 0.00 -1.51 0.00 0.00 37.83 33.13 1uw4 s LYS 138 CO 0.37 -0.26 0.50 0.00 -0.36 0.00 0.00 175.35 175.59 1uw4 s ALA 139 N 1.00 3.63 -2.34 3.13 0.00 -1.26 -5.12 121.76 120.80 1uw4 s ALA 139 Ca 0.59 -0.15 0.29 0.00 0.00 0.00 0.00 51.96 52.69 1uw4 s ALA 139 Cb -0.30 -2.48 1.33 0.00 0.00 0.00 0.00 23.12 21.67 1uw4 s ALA 139 CO 0.30 0.46 1.90 0.00 0.00 0.00 0.00 175.76 178.42