#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 2.67 -4.57 -1.43 3.41 -1.26 -4.98 113.62 107.46 1uw4 n SER 51 Ca 0.00 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.00 1uw4 n SER 51 Cb 0.00 0.92 -0.07 0.00 -0.26 0.00 0.00 64.21 64.80 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 -1.45 3.67 -0.04 4.33 2.20 -1.26 -1.87 119.74 125.32 1uw4 s LYS 52 Ca 0.00 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1uw4 s LYS 52 Cb 0.00 -3.81 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1uw4 s LYS 52 CO 0.00 -0.75 -0.01 0.08 -0.36 0.00 0.00 175.35 174.31 1uw4 s VAL 53 N 2.73 4.10 -0.10 4.02 1.01 0.06 -0.81 120.40 131.41 1uw4 s VAL 53 Ca 0.25 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 1uw4 s VAL 53 Cb -0.14 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1uw4 s VAL 53 CO 0.15 0.49 -0.03 0.54 0.00 0.00 0.00 175.10 176.25 1uw4 s VAL 54 N -0.97 4.05 -0.26 2.92 0.11 0.55 -1.48 120.40 125.32 1uw4 s VAL 54 Ca 0.16 -0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 58.85 1uw4 s VAL 54 Cb -0.11 -2.71 0.03 0.00 -1.53 0.00 0.00 36.38 32.06 1uw4 s VAL 54 CO 0.06 0.58 -0.03 -0.51 -3.33 0.00 0.00 175.10 171.87 1uw4 s ILE 55 N -0.57 3.02 0.37 7.04 2.07 -0.20 -2.00 121.20 130.93 1uw4 s ILE 55 Ca 0.09 -1.06 0.04 0.00 -1.41 0.00 0.00 60.65 58.30 1uw4 s ILE 55 Cb -0.12 -2.58 -0.04 0.00 0.13 0.00 0.00 42.46 39.85 1uw4 s ILE 55 CO 0.02 0.12 0.11 0.00 -1.91 0.00 0.00 174.94 173.28 1uw4 s ARG 56 N 1.33 1.80 -1.47 3.50 1.70 -0.26 -1.15 118.95 124.41 1uw4 s ARG 56 Ca -0.01 -2.07 -0.07 0.00 -0.47 0.00 0.00 55.73 53.11 1uw4 s ARG 56 Cb -0.17 -0.63 0.02 0.00 -0.57 0.00 0.00 34.95 33.59 1uw4 s ARG 56 CO -0.03 -0.39 0.87 0.54 -1.08 0.00 0.00 175.30 175.21 1uw4 n ARG 57 N -0.80 -6.14 -1.92 3.89 1.74 -1.19 -1.70 116.66 110.53 1uw4 n ARG 57 Ca -0.04 0.83 -0.31 0.00 -0.77 0.00 0.00 57.85 57.56 1uw4 n ARG 57 Cb 0.65 -5.77 0.01 0.00 -1.02 0.00 0.00 32.46 26.33 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 -6.99 3.30 0.30 0.55 1.43 -0.68 -4.61 118.68 111.98 1uw4 s LEU 58 Ca 0.45 1.50 -0.29 0.00 -1.03 0.00 0.00 54.13 54.76 1uw4 s LEU 58 Cb -0.20 -4.48 -0.13 0.00 0.03 0.00 0.00 46.19 41.40 1uw4 s LEU 58 CO 0.56 -0.93 1.30 -2.65 0.23 0.00 0.00 176.35 174.86 1uw4 n PRO 59 N -2.57 2.01 0.29 1.29 -0.02 -1.26 -1.51 135.00 133.22 1uw4 n PRO 59 Ca 0.06 0.71 0.17 0.00 -2.02 0.00 0.00 63.50 62.42 1uw4 n PRO 59 Cb 0.54 -2.29 0.85 0.00 -0.02 0.00 0.00 33.50 32.57 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 3.05 0.00 -0.02 0.52 0.13 -1.87 -2.51 132.00 131.30 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 0.67 0.06 -0.06 0.25 -0.23 0.00 0.00 178.00 178.69 1uw4 n THR 61 N -3.34 0.00 -2.21 1.56 -2.24 -1.26 -4.79 114.28 102.01 1uw4 n THR 61 Ca -0.01 -0.37 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 1uw4 n THR 61 Cb 0.21 1.07 -0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 -2.07 4.00 0.18 3.22 2.96 -0.94 -5.04 118.68 120.99 1uw4 s LEU 62 Ca 0.30 2.36 0.06 0.00 -0.22 0.00 0.00 54.13 56.64 1uw4 s LEU 62 Cb 0.20 -4.23 -0.04 0.00 0.50 0.00 0.00 46.19 42.62 1uw4 s LEU 62 CO 0.35 -0.97 0.06 0.42 -1.32 0.00 0.00 176.35 174.89 1uw4 s THR 63 N -1.51 4.05 0.32 3.68 -4.23 -1.26 -5.01 115.64 111.67 1uw4 s THR 63 Ca 0.64 -1.31 0.10 0.00 -1.18 0.00 0.00 61.69 59.94 1uw4 s THR 63 Cb -0.30 -3.06 0.31 0.00 1.34 0.00 0.00 72.50 70.79 1uw4 s THR 63 CO 0.36 -0.13 1.72 0.50 -0.54 0.00 0.00 174.62 176.53 1uw4 h LYS 64 N 2.50 0.51 -0.14 3.99 3.64 -1.97 -1.13 116.57 123.96 1uw4 h LYS 64 Ca -0.47 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 58.75 1uw4 h LYS 64 Cb 1.21 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1uw4 h LYS 64 CO 0.60 0.34 -0.48 0.93 -2.27 0.00 0.00 179.45 178.57 1uw4 h GLU 65 N 0.53 0.37 -0.02 1.90 3.07 -2.00 -1.40 114.58 117.03 1uw4 h GLU 65 Ca 0.65 -0.20 -0.15 0.00 -0.50 0.00 0.00 59.36 59.15 1uw4 h GLU 65 Cb 1.27 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.18 1uw4 h GLU 65 CO -0.50 0.77 -0.70 1.96 -1.40 0.00 0.00 179.01 179.14 1uw4 h GLN 66 N 0.30 0.09 0.04 2.33 4.20 -1.68 -2.89 115.11 117.50 1uw4 h GLN 66 Ca 0.02 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1uw4 h GLN 66 Cb 0.95 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1uw4 h GLN 66 CO 0.08 0.75 -0.02 1.25 -0.67 0.00 0.00 178.83 180.22 1uw4 h LEU 67 N 0.06 -0.04 -0.94 1.46 6.46 -0.67 -2.68 115.31 118.96 1uw4 h LEU 67 Ca -0.01 -0.49 0.11 0.00 -0.12 0.00 0.00 57.88 57.36 1uw4 h LEU 67 Cb 1.23 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 41.10 1uw4 h LEU 67 CO 0.10 0.49 0.57 -0.61 -0.62 0.00 0.00 178.44 178.37 1uw4 h GLN 68 N -0.59 0.90 -0.44 1.25 4.15 -1.38 0.73 115.11 119.73 1uw4 h GLN 68 Ca -0.01 -0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.44 1uw4 h GLN 68 Cb 0.54 -0.20 -0.07 0.00 0.21 0.00 0.00 27.48 27.95 1uw4 h GLN 68 CO 0.01 0.60 0.04 0.93 -1.93 0.00 0.00 178.83 178.48 1uw4 h GLU 69 N 0.93 0.16 -0.26 1.69 5.08 -1.46 -1.55 114.58 119.17 1uw4 h GLU 69 Ca 0.46 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.72 1uw4 h GLU 69 Cb 0.42 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1uw4 h GLU 69 CO -0.25 0.10 -0.22 0.45 -1.00 0.00 0.00 179.01 178.10 1uw4 h HIS 70 N 0.16 0.52 0.00 4.33 3.86 -0.88 -3.25 115.15 119.90 1uw4 h HIS 70 Ca 0.22 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1uw4 h HIS 70 Cb 0.30 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1uw4 h HIS 70 CO -0.25 0.66 -0.15 -0.07 0.86 0.00 0.00 177.93 178.98 1uw4 h LEU 71 N 0.43 0.00 -9.73 2.43 3.38 -0.32 -3.47 115.31 108.03 1uw4 h LEU 71 Ca 0.07 -0.02 -0.53 0.00 0.09 0.00 0.00 57.88 57.48 1uw4 h LEU 71 Cb 0.61 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1uw4 h LEU 71 CO 0.04 0.01 0.16 0.00 0.09 0.00 0.00 178.44 178.74 1uw4 s GLN 72 N -3.18 4.52 -0.12 1.13 -2.07 -0.64 -3.69 119.66 115.62 1uw4 s GLN 72 Ca 0.08 1.11 -0.29 0.00 -1.82 0.00 0.00 55.36 54.43 1uw4 s GLN 72 Cb 0.09 -3.24 -0.03 0.00 -1.09 0.00 0.00 33.01 28.73 1uw4 s GLN 72 CO 0.66 0.57 1.45 -1.25 -1.32 0.00 0.00 175.29 175.40 1uw4 s PRO 73 N -1.18 4.19 0.14 9.60 0.04 -1.26 -5.03 135.00 141.50 1uw4 s PRO 73 Ca 0.35 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 1uw4 s PRO 73 Cb -0.23 -3.87 -0.08 0.00 0.04 0.00 0.00 34.50 30.36 1uw4 s PRO 73 CO 0.25 -0.80 1.27 -1.64 0.04 0.00 0.00 177.00 176.13 1uw4 s MET 74 N 3.79 4.41 0.67 4.56 -1.94 -1.24 -5.02 119.30 124.53 1uw4 s MET 74 Ca 0.63 1.94 -0.14 0.00 -1.71 0.00 0.00 55.69 56.42 1uw4 s MET 74 Cb -0.27 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.32 1uw4 s MET 74 CO 0.22 -0.25 1.09 -1.25 -0.01 0.00 0.00 175.02 174.81 1uw4 s PRO 75 N 0.42 2.84 -0.17 2.03 0.04 -1.26 -4.93 135.00 133.97 1uw4 s PRO 75 Ca 0.58 1.26 -0.36 0.00 0.04 0.00 0.00 61.00 62.52 1uw4 s PRO 75 Cb -0.34 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.11 1uw4 s PRO 75 CO 0.34 -1.20 1.89 -1.91 0.04 0.00 0.00 177.00 176.16 1uw4 n GLU 76 N -2.60 1.82 -4.01 4.56 2.13 -1.26 -4.95 120.64 116.34 1uw4 n GLU 76 Ca 0.09 0.65 -0.08 0.00 0.66 0.00 0.00 57.16 58.49 1uw4 n GLU 76 Cb 0.53 -2.52 -0.10 0.00 0.27 0.00 0.00 31.44 29.62 1uw4 n GLU 76 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1uw4 s HIS 77 N 4.40 0.37 -0.42 4.31 -3.43 -1.26 -2.51 115.29 116.75 1uw4 s HIS 77 Ca 0.96 -0.81 0.13 0.00 -0.80 0.00 0.00 55.06 54.54 1uw4 s HIS 77 Cb -0.79 -0.27 -0.16 0.00 -1.43 0.00 0.00 32.58 29.93 1uw4 s HIS 77 CO 0.55 -0.37 0.47 -3.47 -2.00 0.00 0.00 174.74 169.91 1uw4 n ASP 78 N 0.45 1.03 -3.62 7.38 2.03 -0.80 -4.99 116.55 118.03 1uw4 n ASP 78 Ca -0.17 -0.55 -0.13 0.00 0.52 0.00 0.00 54.79 54.46 1uw4 n ASP 78 Cb 0.60 1.19 -0.07 0.00 -0.72 0.00 0.00 41.12 42.12 1uw4 n ASP 78 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1uw4 s TYR 79 N -2.43 -0.69 -0.29 -0.67 5.04 -1.26 -4.97 117.35 112.08 1uw4 s TYR 79 Ca 0.02 1.62 0.02 0.00 -2.44 0.00 0.00 57.07 56.29 1uw4 s TYR 79 Cb 0.09 0.31 0.20 0.00 0.35 0.00 0.00 41.96 42.91 1uw4 s TYR 79 CO 0.53 -0.37 0.69 0.12 -1.34 0.00 0.00 175.55 175.18 1uw4 s PHE 80 N 0.11 -1.55 0.16 4.97 5.99 -1.25 -1.96 117.98 124.45 1uw4 s PHE 80 Ca -0.01 0.98 0.02 0.00 0.00 0.00 0.00 56.93 57.92 1uw4 s PHE 80 Cb -0.04 0.29 -0.05 0.00 0.00 0.00 0.00 43.02 43.23 1uw4 s PHE 80 CO 0.01 -0.90 -0.02 -1.21 -0.00 0.00 0.00 175.22 173.09 1uw4 s GLU 81 N 2.86 1.07 -0.01 10.12 0.41 -0.90 -4.99 118.70 127.27 1uw4 s GLU 81 Ca 0.14 -1.50 0.07 0.00 -0.41 0.00 0.00 54.97 53.27 1uw4 s GLU 81 Cb -0.09 -0.33 -0.02 0.00 -1.78 0.00 0.00 34.13 31.91 1uw4 s GLU 81 CO -0.25 -0.08 -0.21 0.12 -0.49 0.00 0.00 175.26 174.35 1uw4 s PHE 82 N -3.59 1.88 -0.02 1.61 5.36 -1.26 -1.80 117.98 120.15 1uw4 s PHE 82 Ca 0.21 -0.36 -0.04 0.00 -0.96 0.00 0.00 56.93 55.79 1uw4 s PHE 82 Cb 0.05 -1.19 0.00 0.00 -0.34 0.00 0.00 43.02 41.55 1uw4 s PHE 82 CO 0.02 -0.01 0.09 -0.06 -1.46 0.00 0.00 175.22 173.80 1uw4 s PHE 83 N -0.54 -0.03 0.28 10.12 0.40 0.01 -5.01 117.98 123.21 1uw4 s PHE 83 Ca 0.08 0.08 -0.19 0.00 -0.60 0.00 0.00 56.93 56.29 1uw4 s PHE 83 Cb -0.08 -0.01 0.07 0.00 0.51 0.00 0.00 43.02 43.50 1uw4 s PHE 83 CO -0.00 -0.12 0.92 -1.54 0.70 0.00 0.00 175.22 175.19 1uw4 s SER 84 N -0.43 0.00 -1.43 1.36 1.04 -1.26 -0.96 113.70 112.01 1uw4 s SER 84 Ca -0.05 -0.89 -0.06 0.00 0.48 0.00 0.00 55.95 55.43 1uw4 s SER 84 Cb -0.03 0.66 0.03 0.00 0.10 0.00 0.00 66.02 66.78 1uw4 s SER 84 CO 0.00 -1.31 0.53 0.59 0.98 0.00 0.00 173.24 174.03 1uw4 n ASN 85 N -1.30 -5.07 -0.83 7.02 3.02 -1.26 -4.86 115.26 111.98 1uw4 n ASN 85 Ca -0.05 -0.31 0.05 0.00 -0.03 0.00 0.00 54.58 54.24 1uw4 n ASN 85 Cb 0.60 -4.14 0.09 0.00 -0.61 0.00 0.00 39.78 35.72 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 -2.40 1.22 -4.93 6.41 5.75 -1.26 -5.08 116.55 116.26 1uw4 n ASP 86 Ca -0.08 -2.73 -0.23 0.00 -0.01 0.00 0.00 54.79 51.75 1uw4 n ASP 86 Cb 0.59 -0.37 -0.03 0.00 -1.03 0.00 0.00 41.12 40.28 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 -1.39 5.09 -2.31 2.12 -1.32 -1.26 -5.00 115.64 111.57 1uw4 s THR 87 Ca 0.28 -1.00 0.21 0.00 -1.21 0.00 0.00 61.69 59.97 1uw4 s THR 87 Cb 0.29 -3.73 0.44 0.00 -1.51 0.00 0.00 72.50 68.00 1uw4 s THR 87 CO -0.08 -0.27 1.46 -1.54 -2.21 0.00 0.00 174.62 171.98 1uw4 n SER 88 N -1.12 2.53 -2.11 8.08 3.41 -1.26 -4.56 113.62 118.59 1uw4 n SER 88 Ca -0.08 -1.87 -0.25 0.00 -0.26 0.00 0.00 58.87 56.40 1uw4 n SER 88 Cb 0.56 -0.20 0.02 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.88 5.17 -4.75 1.04 4.77 -1.26 -5.04 117.00 117.81 1uw4 n LEU 89 Ca 0.17 -4.77 -0.42 0.00 -0.03 0.00 0.00 56.01 50.97 1uw4 n LEU 89 Cb 0.45 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1uw4 n LEU 89 CO 0.14 2.07 1.14 0.00 -1.33 0.00 0.00 177.39 179.40 1uw4 n TYR 90 N -0.70 2.82 -0.44 -1.77 9.36 -1.26 -0.56 117.16 124.61 1uw4 n TYR 90 Ca 0.45 0.39 -0.04 0.00 3.32 0.00 0.00 57.90 62.02 1uw4 n TYR 90 Cb 0.90 -2.54 0.22 0.00 -0.63 0.00 0.00 39.34 37.29 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 1.13 3.00 -2.68 2.98 -0.04 -1.26 -5.08 135.00 133.05 1uw4 n PRO 91 Ca 0.05 -2.19 -0.43 0.00 -0.04 0.00 0.00 63.50 60.89 1uw4 n PRO 91 Cb 0.37 -1.96 -0.00 0.00 -0.04 0.00 0.00 33.50 31.87 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 -2.28 2.95 -0.23 0.54 3.76 0.28 -4.97 115.29 115.34 1uw4 s HIS 92 Ca 0.39 -1.69 -0.09 0.00 -0.15 0.00 0.00 55.06 53.52 1uw4 s HIS 92 Cb 0.31 -4.63 -0.05 0.00 1.11 0.00 0.00 32.58 29.33 1uw4 s HIS 92 CO 0.10 -1.71 0.13 -1.64 -0.85 0.00 0.00 174.74 170.77 1uw4 s MET 93 N 3.58 4.00 0.05 1.40 -1.94 -1.26 -4.87 119.30 120.25 1uw4 s MET 93 Ca 0.50 -0.31 -0.01 0.00 -1.71 0.00 0.00 55.69 54.15 1uw4 s MET 93 Cb 0.02 -3.45 -0.04 0.00 2.01 0.00 0.00 34.83 33.37 1uw4 s MET 93 CO 0.04 0.07 -0.02 0.71 -0.01 0.00 0.00 175.02 175.81 1uw4 s TYR 94 N 1.00 0.50 0.42 -0.03 2.02 -1.26 -4.27 117.35 115.72 1uw4 s TYR 94 Ca 0.06 -1.04 0.07 0.00 -0.37 0.00 0.00 57.07 55.80 1uw4 s TYR 94 Cb -0.14 -0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 1uw4 s TYR 94 CO 0.04 -0.38 0.27 0.00 -1.57 0.00 0.00 175.55 173.90 1uw4 s ALA 95 N -3.87 3.80 0.19 3.71 0.00 -0.57 -4.37 121.76 120.65 1uw4 s ALA 95 Ca 0.06 -2.00 -0.23 0.00 0.00 0.00 0.00 51.96 49.79 1uw4 s ALA 95 Cb 0.08 -0.64 0.05 0.00 0.00 0.00 0.00 23.12 22.60 1uw4 s ALA 95 CO -0.10 -0.20 0.80 -0.98 0.00 0.00 0.00 175.76 175.29 1uw4 s ARG 96 N -4.00 1.42 0.01 0.00 1.70 -0.14 -1.68 118.95 116.25 1uw4 s ARG 96 Ca 0.44 -0.74 -0.10 0.00 -0.47 0.00 0.00 55.73 54.86 1uw4 s ARG 96 Cb 0.01 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 34.91 1uw4 s ARG 96 CO 0.25 -0.64 0.20 0.00 -1.08 0.00 0.00 175.30 174.02 1uw4 s ALA 97 N -3.60 -0.47 -0.10 7.88 0.00 -0.30 -0.81 121.76 124.36 1uw4 s ALA 97 Ca 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1uw4 s ALA 97 Cb -0.03 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 1uw4 s ALA 97 CO 0.01 -0.26 -0.15 0.71 0.00 0.00 0.00 175.76 176.07 1uw4 s TYR 98 N -1.62 2.73 -0.03 0.00 2.02 -0.75 -1.03 117.35 118.67 1uw4 s TYR 98 Ca -0.12 -0.58 0.06 0.00 -0.37 0.00 0.00 57.07 56.06 1uw4 s TYR 98 Cb -0.06 -1.76 -0.01 0.00 -0.40 0.00 0.00 41.96 39.73 1uw4 s TYR 98 CO 0.01 -0.14 -0.21 0.42 -1.57 0.00 0.00 175.55 174.06 1uw4 s ILE 99 N 0.06 1.71 -0.36 2.71 1.01 -0.55 -2.11 121.20 123.68 1uw4 s ILE 99 Ca -0.06 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 1uw4 s ILE 99 Cb -0.15 -1.43 0.05 0.00 0.01 0.00 0.00 42.46 40.94 1uw4 s ILE 99 CO 0.05 0.48 0.13 0.21 0.00 0.00 0.00 174.94 175.81 1uw4 s ASN 100 N -0.36 5.35 0.64 3.58 3.84 -0.83 -0.77 114.94 126.40 1uw4 s ASN 100 Ca 0.04 -1.27 -0.10 0.00 0.21 0.00 0.00 52.86 51.74 1uw4 s ASN 100 Cb -0.10 -1.88 -0.01 0.00 -0.55 0.00 0.00 41.25 38.72 1uw4 s ASN 100 CO 0.00 -0.38 1.01 -0.36 -2.79 0.00 0.00 177.10 174.59 1uw4 s PHE 101 N 1.38 3.43 -0.02 0.43 0.40 -0.78 -1.91 117.98 120.91 1uw4 s PHE 101 Ca -0.00 1.02 0.10 0.00 -0.60 0.00 0.00 56.93 57.44 1uw4 s PHE 101 Cb -0.20 -2.83 -0.23 0.00 0.51 0.00 0.00 43.02 40.27 1uw4 s PHE 101 CO 0.02 -0.88 0.74 0.87 0.70 0.00 0.00 175.22 176.67 1uw4 h LYS 102 N -0.38 0.03 -3.44 0.44 1.79 -1.84 -3.46 116.57 109.71 1uw4 h LYS 102 Ca -0.45 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 57.92 1uw4 h LYS 102 Cb 1.23 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 31.79 1uw4 h LYS 102 CO 0.62 0.65 -0.07 1.21 -1.08 0.00 0.00 179.45 180.78 1uw4 s ASN 103 N -6.29 -0.19 0.33 0.86 3.04 -1.26 -5.07 114.94 106.36 1uw4 s ASN 103 Ca -0.05 -0.51 0.06 0.00 0.04 0.00 0.00 52.86 52.40 1uw4 s ASN 103 Cb 0.08 0.52 0.59 0.00 -1.54 0.00 0.00 41.25 40.90 1uw4 s ASN 103 CO 0.82 -0.96 1.82 1.56 -3.04 0.00 0.00 177.10 177.30 1uw4 h GLN 104 N 2.32 0.37 -0.75 0.43 4.20 -1.93 -2.39 115.11 117.36 1uw4 h GLN 104 Ca -0.31 -0.11 0.11 0.00 0.06 0.00 0.00 58.65 58.40 1uw4 h GLN 104 Cb 1.25 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.92 1uw4 h GLN 104 CO 0.42 0.54 0.37 1.05 -0.67 0.00 0.00 178.83 180.54 1uw4 h GLU 105 N 0.34 0.58 0.00 1.46 4.11 -2.02 -2.70 114.58 116.35 1uw4 h GLU 105 Ca 0.06 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.39 1uw4 h GLU 105 Cb 0.51 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1uw4 h GLU 105 CO 0.03 0.38 -0.32 -0.44 0.07 0.00 0.00 179.01 178.73 1uw4 h ASP 106 N 0.59 0.00 -0.41 3.06 5.19 -1.87 -3.05 116.42 119.94 1uw4 h ASP 106 Ca 0.38 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.65 1uw4 h ASP 106 Cb 0.46 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 1uw4 h ASP 106 CO -0.30 0.32 -0.30 0.40 -3.12 0.00 0.00 179.24 176.24 1uw4 h ILE 107 N 0.00 1.27 -0.08 0.35 2.04 -1.53 -2.19 117.51 117.38 1uw4 h ILE 107 Ca -0.00 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.39 1uw4 h ILE 107 Cb 0.77 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1uw4 h ILE 107 CO 0.04 0.49 0.05 0.40 0.00 0.00 0.00 178.15 179.14 1uw4 h ILE 108 N 0.75 1.02 -0.94 -0.67 1.08 -1.52 -2.39 117.51 114.84 1uw4 h ILE 108 Ca 0.08 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1uw4 h ILE 108 Cb 0.89 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 35.50 1uw4 h ILE 108 CO 0.08 0.02 0.58 -0.07 -0.69 0.00 0.00 178.15 178.07 1uw4 h LEU 109 N 0.10 1.12 -0.55 1.44 3.38 -1.52 -1.54 115.31 117.73 1uw4 h LEU 109 Ca 0.03 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1uw4 h LEU 109 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1uw4 h LEU 109 CO -0.01 0.84 0.22 0.15 0.09 0.00 0.00 178.44 179.73 1uw4 h PHE 110 N 1.29 0.85 0.02 1.13 3.57 -1.21 -2.55 116.94 120.03 1uw4 h PHE 110 Ca 0.34 -0.07 -0.25 0.00 3.53 0.00 0.00 57.97 61.52 1uw4 h PHE 110 Cb -0.08 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.38 1uw4 h PHE 110 CO 0.00 0.69 -1.28 0.07 -2.23 0.00 0.00 178.31 175.57 1uw4 h ARG 111 N 0.76 0.04 -0.72 1.11 -0.00 -1.24 -0.82 114.38 113.51 1uw4 h ARG 111 Ca 0.18 -0.06 0.12 0.00 -0.00 0.00 0.00 59.98 60.22 1uw4 h ARG 111 Cb 0.21 0.02 -0.05 0.00 -0.00 0.00 0.00 29.97 30.16 1uw4 h ARG 111 CO -0.01 0.87 0.48 -0.44 -0.00 0.00 0.00 179.97 180.86 1uw4 h ASP 112 N 0.01 0.47 0.35 0.08 5.19 -1.28 -1.55 116.42 119.70 1uw4 h ASP 112 Ca -0.12 0.02 -0.32 0.00 -0.62 0.00 0.00 57.03 55.98 1uw4 h ASP 112 Cb 1.88 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 41.30 1uw4 h ASP 112 CO 0.12 0.27 -1.65 -0.09 -3.12 0.00 0.00 179.24 174.77 1uw4 h ARG 113 N 0.52 0.28 0.00 3.56 2.43 -1.32 -3.42 114.38 116.41 1uw4 h ARG 113 Ca 0.34 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1uw4 h ARG 113 Cb 0.62 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1uw4 h ARG 113 CO -0.11 1.14 -0.63 1.19 -1.51 0.00 0.00 179.97 180.05 1uw4 n PHE 114 N -3.47 0.00 -2.24 2.20 3.01 -0.32 -4.61 117.46 112.03 1uw4 n PHE 114 Ca -0.20 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.83 1uw4 n PHE 114 Cb 1.05 -0.05 -0.02 0.00 -0.01 0.00 0.00 39.48 40.45 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 -1.92 6.50 0.00 4.37 2.15 -0.60 -2.46 116.67 124.71 1uw4 s ASP 115 Ca 0.00 1.46 0.00 0.00 0.43 0.00 0.00 52.55 54.44 1uw4 s ASP 115 Cb 0.04 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1uw4 s ASP 115 CO 0.22 -1.18 0.00 0.61 -0.17 0.00 0.00 175.17 174.64 1uw4 n GLY 116 N 4.52 1.34 3.68 2.66 0.00 -0.56 -4.95 105.19 111.88 1uw4 n GLY 116 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 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 2.36 -2.97 1.61 9.36 -1.03 -4.47 117.16 120.02 1uw4 n TYR 117 Ca 0.00 0.05 -0.43 0.00 3.32 0.00 0.00 57.90 60.84 1uw4 n TYR 117 Cb 0.00 -2.64 -0.05 0.00 -0.63 0.00 0.00 39.34 36.02 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 2.86 4.66 0.25 2.97 1.01 -1.26 -2.04 120.40 128.84 1uw4 s VAL 118 Ca 0.86 0.41 -0.09 0.00 0.00 0.00 0.00 61.98 63.17 1uw4 s VAL 118 Cb -0.65 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 31.35 1uw4 s VAL 118 CO 0.45 -0.71 0.56 -0.36 0.00 0.00 0.00 175.10 175.04 1uw4 s PHE 119 N 3.26 3.43 0.25 5.22 0.40 -0.79 -4.91 117.98 124.85 1uw4 s PHE 119 Ca 0.29 0.84 0.08 0.00 -0.60 0.00 0.00 56.93 57.55 1uw4 s PHE 119 Cb -0.12 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1uw4 s PHE 119 CO 0.22 0.24 0.09 -0.51 0.70 0.00 0.00 175.22 175.97 1uw4 s LEU 120 N -2.97 3.50 0.00 -0.37 1.43 -1.26 -1.09 118.68 117.92 1uw4 s LEU 120 Ca 0.47 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1uw4 s LEU 120 Cb -0.11 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.10 1uw4 s LEU 120 CO 0.23 -0.01 0.24 -0.90 0.23 0.00 0.00 176.35 176.14 1uw4 n ASP 121 N -0.97 1.73 -0.26 2.29 5.75 -1.12 -4.85 116.55 119.13 1uw4 n ASP 121 Ca -0.07 -1.92 -0.03 0.00 -0.01 0.00 0.00 54.79 52.76 1uw4 n ASP 121 Cb 0.58 -0.05 0.03 0.00 -1.03 0.00 0.00 41.12 40.65 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 0.28 -1.16 -0.62 -1.12 -0.73 -1.96 -3.02 115.58 107.26 1uw4 h ASN 122 Ca -0.17 0.25 -0.18 0.00 1.87 0.00 0.00 56.30 58.07 1uw4 h ASN 122 Cb 0.64 0.61 -0.11 0.00 0.27 0.00 0.00 38.32 39.72 1uw4 h ASN 122 CO 0.26 -0.29 0.23 0.29 -0.37 0.00 0.00 177.43 177.55 1uw4 n LYS 123 N -5.46 3.23 -0.92 6.67 5.02 -1.26 -4.88 118.16 120.56 1uw4 n LYS 123 Ca 0.07 -2.50 0.00 0.00 -2.02 0.00 0.00 58.31 53.85 1uw4 n LYS 123 Cb 0.37 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 1uw4 n LYS 123 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uw4 n GLY 124 N -0.08 0.76 3.74 0.72 0.00 -1.14 -5.03 105.19 104.16 1uw4 n GLY 124 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.08 4.45 0.06 1.61 -0.21 -1.26 -4.85 119.66 119.38 1uw4 s GLN 125 Ca 0.00 1.97 -0.25 0.00 0.02 0.00 0.00 55.36 57.11 1uw4 s GLN 125 Cb 0.00 -3.20 -0.06 0.00 1.00 0.00 0.00 33.01 30.75 1uw4 s GLN 125 CO 0.00 -0.14 0.75 -1.21 -2.12 0.00 0.00 175.29 172.57 1uw4 s GLU 126 N -0.40 4.49 -0.41 2.91 2.02 -1.26 -2.78 118.70 123.28 1uw4 s GLU 126 Ca 0.53 1.05 0.01 0.00 0.02 0.00 0.00 54.97 56.59 1uw4 s GLU 126 Cb -0.35 -3.34 0.14 0.00 0.10 0.00 0.00 34.13 30.68 1uw4 s GLU 126 CO 0.39 0.34 0.24 0.71 0.02 0.00 0.00 175.26 176.96 1uw4 s TYR 127 N -0.27 1.46 0.11 1.61 1.51 -0.25 -5.02 117.35 116.51 1uw4 s TYR 127 Ca 0.37 -2.11 -0.31 0.00 -1.01 0.00 0.00 57.07 54.01 1uw4 s TYR 127 Cb -0.21 -1.47 -0.08 0.00 -0.11 0.00 0.00 41.96 40.10 1uw4 s TYR 127 CO 0.23 -0.80 1.41 -1.25 -1.11 0.00 0.00 175.55 174.03 1uw4 s PRO 128 N 0.60 4.31 0.53 -1.71 0.04 -1.26 -1.88 135.00 135.63 1uw4 s PRO 128 Ca 0.19 2.09 -0.11 0.00 0.04 0.00 0.00 61.00 63.20 1uw4 s PRO 128 Cb -0.22 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 1uw4 s PRO 128 CO -0.01 -0.47 0.92 0.00 0.04 0.00 0.00 177.00 177.49 1uw4 s ALA 129 N 1.26 3.19 -0.13 8.56 0.00 -0.86 -4.87 121.76 128.91 1uw4 s ALA 129 Ca 0.65 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.51 1uw4 s ALA 129 Cb -0.37 -2.93 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 1uw4 s ALA 129 CO 0.30 -0.38 -0.18 0.42 0.00 0.00 0.00 175.76 175.92 1uw4 s ILE 130 N -2.80 2.56 -0.23 0.00 1.01 -0.69 -1.49 121.20 119.56 1uw4 s ILE 130 Ca 0.54 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 1uw4 s ILE 130 Cb -0.10 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.33 1uw4 s ILE 130 CO 0.42 0.54 -0.06 -0.69 0.00 0.00 0.00 174.94 175.14 1uw4 s VAL 131 N 0.50 3.05 0.19 2.92 1.01 -1.26 -1.10 120.40 125.70 1uw4 s VAL 131 Ca -0.12 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1uw4 s VAL 131 Cb -0.16 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1uw4 s VAL 131 CO 0.05 0.33 0.18 -1.61 0.00 0.00 0.00 175.10 174.06 1uw4 s GLU 132 N 1.40 1.18 0.23 2.72 2.02 -0.85 -4.90 118.70 120.50 1uw4 s GLU 132 Ca 0.03 -1.47 -0.30 0.00 0.02 0.00 0.00 54.97 53.25 1uw4 s GLU 132 Cb -0.15 0.31 -0.10 0.00 0.10 0.00 0.00 34.13 34.29 1uw4 s GLU 132 CO -0.05 -0.40 1.40 -0.06 0.02 0.00 0.00 175.26 176.17 1uw4 s PHE 133 N -4.09 3.11 0.32 1.61 2.99 -1.26 -0.33 117.98 120.33 1uw4 s PHE 133 Ca 0.30 1.09 -0.29 0.00 0.00 0.00 0.00 56.93 58.03 1uw4 s PHE 133 Cb 0.05 -3.74 -0.12 0.00 0.00 0.00 0.00 43.02 39.21 1uw4 s PHE 133 CO 0.08 -2.40 1.52 0.00 -0.00 0.00 0.00 175.22 174.41 1uw4 n ALA 134 N 2.48 2.26 0.27 5.36 0.00 0.01 -4.68 120.51 126.20 1uw4 n ALA 134 Ca 0.07 0.36 0.16 0.00 0.00 0.00 0.00 53.44 54.03 1uw4 n ALA 134 Cb 0.41 -2.41 0.70 0.00 0.00 0.00 0.00 19.45 18.15 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 3.91 0.00 -5.02 0.00 0.13 -1.93 -3.39 132.00 125.70 1uw4 h PRO 135 Ca -0.48 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 1uw4 h PRO 135 Cb 1.24 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.06 1uw4 h PRO 135 CO 0.72 0.06 -0.78 0.12 -0.23 0.00 0.00 178.00 177.89 1uw4 s PHE 136 N -3.79 2.88 -1.31 1.56 5.36 -1.26 -5.04 117.98 116.38 1uw4 s PHE 136 Ca -0.00 -1.26 0.26 0.00 -0.96 0.00 0.00 56.93 54.96 1uw4 s PHE 136 Cb 0.10 -2.02 0.61 0.00 -0.34 0.00 0.00 43.02 41.37 1uw4 s PHE 136 CO 0.55 -0.67 1.48 1.04 -1.46 0.00 0.00 175.22 176.17 1uw4 n GLN 137 N 4.72 0.34 -2.17 10.12 1.13 -1.26 -4.88 117.38 125.38 1uw4 n GLN 137 Ca -0.19 -0.20 -0.42 0.00 -1.94 0.00 0.00 57.00 54.25 1uw4 n GLN 137 Cb 0.50 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.33 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 -2.80 4.28 -0.12 -1.09 2.20 -1.26 -4.73 119.74 116.22 1uw4 s LYS 138 Ca 0.17 2.05 -0.06 0.00 -0.36 0.00 0.00 55.97 57.76 1uw4 s LYS 138 Cb 0.18 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1uw4 s LYS 138 CO 0.63 -0.55 0.12 0.00 -0.36 0.00 0.00 175.35 175.18 1uw4 s ALA 139 N 2.02 3.77 -2.00 3.13 0.00 -1.26 -5.14 121.76 122.29 1uw4 s ALA 139 Ca 0.65 -0.67 0.13 0.00 0.00 0.00 0.00 51.96 52.08 1uw4 s ALA 139 Cb -0.34 -1.91 0.80 0.00 0.00 0.00 0.00 23.12 21.66 1uw4 s ALA 139 CO 0.28 0.57 1.22 0.00 0.00 0.00 0.00 175.76 177.84