#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 s THR 75 N 0.00 4.85 0.04 2.52 -1.32 -1.26 -5.01 115.64 115.46 3cx5 s THR 75 Ca 0.00 0.65 -0.36 0.00 -1.21 0.00 0.00 61.69 60.76 3cx5 s THR 75 Cb 0.00 -3.63 -0.16 0.00 -1.51 0.00 0.00 72.50 67.20 3cx5 s THR 75 CO 0.00 -0.06 1.47 -0.67 -2.21 0.00 0.00 174.62 173.15 3cx5 n ASP 76 N -0.08 2.14 0.04 8.08 2.03 -1.26 -4.91 116.55 122.60 3cx5 n ASP 76 Ca 0.01 1.10 -0.04 0.00 0.52 0.00 0.00 54.79 56.37 3cx5 n ASP 76 Cb 0.52 -1.24 0.17 0.00 -0.72 0.00 0.00 41.12 39.85 3cx5 n ASP 76 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 3cx5 h GLN 77 N 5.46 0.40 -0.11 -0.67 7.50 -1.94 -1.71 115.11 124.03 3cx5 h GLN 77 Ca -0.47 -0.19 -0.15 0.00 0.50 0.00 0.00 58.65 58.34 3cx5 h GLN 77 Cb 1.31 -0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.85 3cx5 h GLN 77 CO 0.83 0.73 -0.50 1.25 -1.50 0.00 0.00 178.83 179.64 3cx5 h LEU 78 N 0.33 0.62 -0.92 1.46 5.85 -1.95 -1.62 115.31 119.08 3cx5 h LEU 78 Ca 0.03 -0.64 0.02 0.00 0.84 0.00 0.00 57.88 58.13 3cx5 h LEU 78 Cb 0.84 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 3cx5 h LEU 78 CO 0.07 1.16 0.61 -0.33 -0.34 0.00 0.00 178.44 179.61 3cx5 h GLU 79 N 0.13 1.18 0.16 1.25 4.39 -1.94 0.16 114.58 119.89 3cx5 h GLU 79 Ca -0.03 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3cx5 h GLU 79 Cb 1.15 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 3cx5 h GLU 79 CO 0.10 0.78 -0.08 0.22 -1.16 0.00 0.00 179.01 178.88 3cx5 h ASP 80 N 1.21 -0.18 -0.98 1.42 3.58 -1.29 -0.88 116.42 119.30 3cx5 h ASP 80 Ca 0.35 -0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.70 3cx5 h ASP 80 Cb -0.07 0.05 -0.05 0.00 1.72 0.00 0.00 39.33 40.98 3cx5 h ASP 80 CO -0.10 -0.00 0.63 -0.07 -2.88 0.00 0.00 179.24 176.82 3cx5 h LEU 81 N -0.35 1.14 -0.70 2.28 3.38 -0.92 -1.88 115.31 118.26 3cx5 h LEU 81 Ca -0.02 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3cx5 h LEU 81 Cb 0.28 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3cx5 h LEU 81 CO 0.04 0.84 0.14 0.03 0.09 0.00 0.00 178.44 179.57 3cx5 h ARG 82 N 1.33 1.14 -0.55 1.13 3.08 -0.55 -2.32 114.38 117.64 3cx5 h ARG 82 Ca 0.36 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3cx5 h ARG 82 Cb -0.13 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.76 3cx5 h ARG 82 CO -0.07 1.02 0.12 1.49 -1.07 0.00 0.00 179.97 181.45 3cx5 h GLU 83 N 1.07 0.89 -0.26 0.04 4.57 -0.76 -1.85 114.58 118.28 3cx5 h GLU 83 Ca 0.21 -0.22 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3cx5 h GLU 83 Cb 0.41 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3cx5 h GLU 83 CO 0.01 0.85 0.06 1.25 -1.18 0.00 0.00 179.01 179.99 3cx5 h HIS 84 N 0.78 0.10 0.00 0.92 2.76 -1.11 -2.59 115.15 116.02 3cx5 h HIS 84 Ca 0.17 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 3cx5 h HIS 84 Cb 0.37 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.32 3cx5 h HIS 84 CO 0.03 0.03 0.00 0.74 -1.30 0.00 0.00 177.93 177.43 3cx5 h PHE 85 N 0.16 0.00 0.00 5.26 -1.00 -1.29 -2.31 116.94 117.76 3cx5 h PHE 85 Ca 0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.90 3cx5 h PHE 85 Cb 0.12 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.68 3cx5 h PHE 85 CO -0.16 0.00 0.00 0.87 -1.61 0.00 0.00 178.31 177.41 3cx5 h LYS 86 N 0.00 0.00 -0.01 1.51 1.57 -0.94 -3.14 116.57 115.56 3cx5 h LYS 86 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3cx5 h LYS 86 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3cx5 h LYS 86 CO 0.00 0.00 -0.24 0.09 -0.57 0.00 0.00 179.45 178.73 3cx5 n ASN 87 N -2.58 1.51 -4.72 0.86 3.02 -0.87 -2.95 115.26 109.53 3cx5 n ASN 87 Ca 0.03 -1.24 -0.29 0.00 -0.03 0.00 0.00 54.58 53.05 3cx5 n ASN 87 Cb 0.37 0.18 0.12 0.00 -0.61 0.00 0.00 39.78 39.84 3cx5 n ASN 87 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3cx5 s THR 88 N -2.36 1.99 0.10 3.41 -4.23 -1.19 -4.77 115.64 108.59 3cx5 s THR 88 Ca 0.26 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.54 3cx5 s THR 88 Cb 0.19 -2.90 -0.12 0.00 1.34 0.00 0.00 72.50 71.01 3cx5 s THR 88 CO 0.48 0.00 1.73 -0.33 -0.54 0.00 0.00 174.62 175.96 3cx5 h GLU 89 N -1.34 -0.01 -0.63 3.99 4.39 -1.92 0.22 114.58 119.29 3cx5 h GLU 89 Ca -0.47 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 3cx5 h GLU 89 Cb 1.32 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.94 3cx5 h GLU 89 CO 0.60 -0.00 0.29 1.49 -1.16 0.00 0.00 179.01 180.22 3cx5 h GLU 90 N -0.01 0.92 -0.69 2.33 4.81 -1.93 -0.67 114.58 119.34 3cx5 h GLU 90 Ca 0.02 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3cx5 h GLU 90 Cb 0.04 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 3cx5 h GLU 90 CO -0.05 0.75 0.45 0.78 -0.73 0.00 0.00 179.01 180.21 3cx5 h GLY 91 N 0.87 0.98 1.02 1.92 0.00 -1.59 -1.26 103.07 105.01 3cx5 h GLY 91 Ca 0.22 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 3cx5 h GLY 91 CO -0.02 0.37 0.11 0.50 0.00 0.00 0.00 176.54 177.49 3cx5 h LYS 92 N 0.94 0.97 -0.61 4.80 1.57 -0.17 -0.97 116.57 123.09 3cx5 h LYS 92 Ca 0.25 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3cx5 h LYS 92 Cb -0.09 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 3cx5 h LYS 92 CO -0.05 0.91 0.11 0.00 -0.57 0.00 0.00 179.45 179.85 3cx5 h ALA 93 N 1.02 1.04 -0.34 3.86 0.00 -0.84 -1.48 119.26 122.52 3cx5 h ALA 93 Ca 0.18 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3cx5 h ALA 93 Cb 0.40 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3cx5 h ALA 93 CO 0.01 0.62 -0.00 -0.07 0.00 0.00 0.00 179.25 179.80 3cx5 h LEU 94 N 0.93 0.59 -1.19 0.00 4.07 -0.97 -1.19 115.31 117.55 3cx5 h LEU 94 Ca 0.19 -0.31 -0.08 0.00 0.08 0.00 0.00 57.88 57.76 3cx5 h LEU 94 Cb 0.38 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 3cx5 h LEU 94 CO 0.01 0.75 -0.35 -0.37 -1.08 0.00 0.00 178.44 177.40 3cx5 h VAL 95 N 0.40 1.27 -0.30 1.22 -1.51 -1.06 -2.44 116.25 113.83 3cx5 h VAL 95 Ca 0.10 -1.28 -0.09 0.00 -1.23 0.00 0.00 66.70 64.19 3cx5 h VAL 95 Cb 0.45 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 3cx5 h VAL 95 CO 0.02 0.37 -0.15 -0.74 -1.23 0.00 0.00 177.57 175.84 3cx5 h HIS 96 N 0.09 0.73 -0.71 5.19 -0.00 -1.03 0.23 115.15 119.65 3cx5 h HIS 96 Ca 0.01 -0.18 -0.03 0.00 -0.00 0.00 0.00 60.37 60.17 3cx5 h HIS 96 Cb 0.67 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.87 3cx5 h HIS 96 CO 0.00 0.86 0.32 0.45 -0.00 0.00 0.00 177.93 179.57 3cx5 h HIS 97 N 0.39 1.03 -0.26 5.26 -0.00 -0.99 0.04 115.15 120.61 3cx5 h HIS 97 Ca 0.07 -0.05 -0.09 0.00 -0.00 0.00 0.00 60.37 60.29 3cx5 h HIS 97 Cb 0.67 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 3cx5 h HIS 97 CO 0.06 0.76 -0.20 -0.92 -0.00 0.00 0.00 177.93 177.63 3cx5 h TYR 98 N 1.02 0.71 -0.90 2.45 3.20 -1.32 -2.70 116.97 119.42 3cx5 h TYR 98 Ca 0.24 -0.20 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3cx5 h TYR 98 Cb 0.14 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 3cx5 h TYR 98 CO 0.01 0.89 0.59 1.49 -1.64 0.00 0.00 178.16 179.51 3cx5 h GLU 99 N 0.32 1.14 -0.51 1.82 4.57 -0.55 0.02 114.58 121.39 3cx5 h GLU 99 Ca 0.05 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3cx5 h GLU 99 Cb 0.75 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 3cx5 h GLU 99 CO 0.05 0.75 0.19 1.49 -1.18 0.00 0.00 179.01 180.32 3cx5 h GLU 100 N 1.17 0.77 -0.53 1.92 4.81 -0.92 -1.90 114.58 119.89 3cx5 h GLU 100 Ca 0.35 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 3cx5 h GLU 100 Cb -0.05 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3cx5 h GLU 100 CO -0.09 0.69 0.15 0.00 -0.73 0.00 0.00 179.01 179.03 3cx5 h ALA 102 N 1.02 0.73 -0.24 0.00 0.00 -0.79 -0.22 119.26 119.75 3cx5 h ALA 102 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3cx5 h ALA 102 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3cx5 h ALA 102 CO -0.00 0.11 0.04 0.93 0.00 0.00 0.00 179.25 180.33 3cx5 h GLU 103 N 0.73 0.40 -0.58 0.00 5.08 -1.23 -0.95 114.58 118.02 3cx5 h GLU 103 Ca 0.22 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3cx5 h GLU 103 Cb -0.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3cx5 h GLU 103 CO -0.07 0.53 0.39 -0.09 -1.00 0.00 0.00 179.01 178.76 3cx5 h ARG 104 N 0.21 0.69 0.06 2.33 2.43 -1.03 -2.40 114.38 116.66 3cx5 h ARG 104 Ca 0.07 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 58.95 3cx5 h ARG 104 Cb 0.32 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3cx5 h ARG 104 CO 0.00 0.45 -1.07 0.28 -1.51 0.00 0.00 179.97 178.13 3cx5 h VAL 105 N 0.71 1.42 -0.38 0.20 2.07 -0.82 -3.03 116.25 116.41 3cx5 h VAL 105 Ca 0.23 -2.65 -0.04 0.00 0.82 0.00 0.00 66.70 65.06 3cx5 h VAL 105 Cb 0.05 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 3cx5 h VAL 105 CO -0.06 0.79 0.05 0.50 0.02 0.00 0.00 177.57 178.86 3cx5 h LYS 106 N 0.18 0.57 -0.24 1.57 3.64 -0.71 -2.11 116.57 119.47 3cx5 h LYS 106 Ca -0.11 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.02 3cx5 h LYS 106 Cb 1.74 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.46 3cx5 h LYS 106 CO 0.18 0.56 -0.43 0.82 -2.27 0.00 0.00 179.45 178.31 3cx5 h ILE 107 N 0.55 1.30 -0.40 2.00 2.04 -1.47 -3.04 117.51 118.50 3cx5 h ILE 107 Ca 0.12 -1.62 -0.09 0.00 1.00 0.00 0.00 64.86 64.27 3cx5 h ILE 107 Cb 0.28 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3cx5 h ILE 107 CO 0.00 0.51 -0.13 1.56 0.00 0.00 0.00 178.15 180.10 3cx5 h GLN 108 N 0.48 0.71 0.00 2.37 4.20 -1.28 -2.91 115.11 118.68 3cx5 h GLN 108 Ca 0.03 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.45 3cx5 h GLN 108 Cb 0.95 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 3cx5 h GLN 108 CO 0.09 0.81 -0.29 1.96 -0.67 0.00 0.00 178.83 180.73 3cx5 h GLN 109 N 0.64 0.00 0.00 1.46 4.20 -1.30 -2.87 115.11 117.25 3cx5 h GLN 109 Ca 0.11 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 3cx5 h GLN 109 Cb 0.58 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3cx5 h GLN 109 CO 0.04 0.29 -0.67 1.96 -0.67 0.00 0.00 178.83 179.77 3cx5 h GLN 110 N 0.00 0.00 -7.07 1.46 4.20 -1.43 -3.46 115.11 108.82 3cx5 h GLN 110 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 3cx5 h GLN 110 Cb 0.57 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.49 3cx5 h GLN 110 CO 0.04 0.67 0.58 -0.65 -0.67 0.00 0.00 178.83 178.80 3cx5 s GLN 111 N -3.05 2.98 0.28 1.46 -1.52 -1.09 -4.96 119.66 113.77 3cx5 s GLN 111 Ca 0.02 2.18 -0.29 0.00 -1.95 0.00 0.00 55.36 55.32 3cx5 s GLN 111 Cb 0.10 -2.14 -0.10 0.00 -0.22 0.00 0.00 33.01 30.65 3cx5 s GLN 111 CO 0.76 -1.30 1.24 -1.25 -0.25 0.00 0.00 175.29 174.50 3cx5 s PRO 112 N -3.04 4.45 -0.12 2.91 0.04 -1.26 -3.21 135.00 134.77 3cx5 s PRO 112 Ca 0.75 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.83 3cx5 s PRO 112 Cb -0.39 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.01 3cx5 s PRO 112 CO 0.45 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.82 3cx5 n GLY 113 N 1.32 0.48 0.32 0.56 0.00 -1.26 -4.94 105.19 101.66 3cx5 n GLY 113 Ca 0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.13 3cx5 n GLY 113 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3cx5 h TYR 114 N 0.00 0.92 0.00 1.61 5.03 -1.85 -2.42 116.97 120.27 3cx5 h TYR 114 Ca -0.02 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.21 3cx5 h TYR 114 Cb 0.08 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.08 3cx5 h TYR 114 CO 0.04 0.72 -0.10 0.00 -1.32 0.00 0.00 178.16 177.49 3cx5 h ALA 115 N 1.36 1.59 -0.61 1.82 0.00 -1.92 -1.65 119.26 119.86 3cx5 h ALA 115 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3cx5 h ALA 115 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3cx5 h ALA 115 CO -0.02 0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.11 3cx5 n ASP 116 N -4.07 5.12 0.13 0.00 8.00 -0.92 -4.35 116.55 120.45 3cx5 n ASP 116 Ca -0.02 -2.65 -0.01 0.00 0.71 0.00 0.00 54.79 52.82 3cx5 n ASP 116 Cb 0.19 -0.62 0.09 0.00 -0.02 0.00 0.00 41.12 40.76 3cx5 n ASP 116 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3cx5 h LEU 117 N 3.97 0.00 0.00 0.64 6.46 -1.14 -3.47 115.31 121.77 3cx5 h LEU 117 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3cx5 h LEU 117 Cb 1.66 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.59 3cx5 h LEU 117 CO 0.33 0.65 0.00 1.21 -0.62 0.00 0.00 178.44 180.01 3cx5 n GLU 118 N -3.47 0.00 -2.15 1.25 2.13 -1.26 -4.63 120.64 112.51 3cx5 n GLU 118 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.40 3cx5 n GLU 118 Cb 0.71 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.42 3cx5 n GLU 118 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3cx5 n HIS 119 N 0.00 3.87 -2.87 4.31 8.25 -1.26 -4.95 115.22 122.57 3cx5 n HIS 119 Ca 0.00 -2.94 -0.42 0.00 -0.26 0.00 0.00 57.72 54.10 3cx5 n HIS 119 Cb 0.00 -2.46 -0.04 0.00 1.12 0.00 0.00 29.99 28.61 3cx5 n HIS 119 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3cx5 s LYS 120 N 2.92 4.20 0.43 -0.41 1.02 -1.26 -5.03 119.74 121.61 3cx5 s LYS 120 Ca 0.47 0.99 -0.24 0.00 0.02 0.00 0.00 55.97 57.21 3cx5 s LYS 120 Cb 0.09 -3.64 -0.08 0.00 -0.52 0.00 0.00 37.83 33.68 3cx5 s LYS 120 CO -0.02 -0.51 1.20 -2.00 -0.92 0.00 0.00 175.35 173.09 3cx5 s GLU 121 N 2.82 3.91 0.27 1.68 2.12 -1.26 -5.05 118.70 123.18 3cx5 s GLU 121 Ca 0.36 1.89 0.03 0.00 0.36 0.00 0.00 54.97 57.61 3cx5 s GLU 121 Cb -0.15 -2.59 -0.06 0.00 0.26 0.00 0.00 34.13 31.59 3cx5 s GLU 121 CO 0.08 -0.46 0.05 0.16 -0.54 0.00 0.00 175.26 174.55 3cx5 s ASP 122 N -1.12 1.77 -0.32 -1.70 -4.77 -1.26 -4.96 116.67 104.31 3cx5 s ASP 122 Ca 0.60 -1.32 0.08 0.00 -3.30 0.00 0.00 52.55 48.60 3cx5 s ASP 122 Cb -0.32 0.03 0.51 0.00 -1.09 0.00 0.00 42.92 42.05 3cx5 s ASP 122 CO 0.40 -0.62 1.48 0.00 0.70 0.00 0.00 175.17 177.13 3cx5 h VAL 124 N 1.10 1.21 -0.80 0.00 2.07 -1.98 -1.25 116.25 116.59 3cx5 h VAL 124 Ca 0.27 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.15 3cx5 h VAL 124 Cb 1.64 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 3cx5 h VAL 124 CO 0.50 0.22 0.49 -0.08 0.02 0.00 0.00 177.57 178.72 3cx5 h GLU 125 N 0.27 0.90 -0.34 1.57 4.81 -1.99 0.42 114.58 120.23 3cx5 h GLU 125 Ca 0.09 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 3cx5 h GLU 125 Cb 0.27 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3cx5 h GLU 125 CO -0.00 0.60 -0.35 0.93 -0.73 0.00 0.00 179.01 179.45 3cx5 h GLU 126 N 0.93 0.79 -0.59 1.92 3.07 -1.88 -1.18 114.58 117.64 3cx5 h GLU 126 Ca 0.34 -0.39 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 3cx5 h GLU 126 Cb 0.10 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 3cx5 h GLU 126 CO -0.15 1.02 0.04 0.35 -1.40 0.00 0.00 179.01 178.87 3cx5 h PHE 127 N 0.65 1.09 -0.69 4.33 3.57 -0.32 -2.32 116.94 123.24 3cx5 h PHE 127 Ca 0.06 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 3cx5 h PHE 127 Cb 0.90 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 3cx5 h PHE 127 CO 0.05 0.96 0.16 0.74 -2.23 0.00 0.00 178.31 177.99 3cx5 h PHE 128 N 0.90 1.16 -0.70 0.41 0.05 0.01 0.30 116.94 119.08 3cx5 h PHE 128 Ca 0.17 -0.14 0.00 0.00 3.82 0.00 0.00 57.97 61.83 3cx5 h PHE 128 Cb 0.50 -0.33 -0.03 0.00 2.00 0.00 0.00 35.95 38.09 3cx5 h PHE 128 CO 0.04 0.94 0.45 0.45 -0.18 0.00 0.00 178.31 180.01 3cx5 h HIS 129 N 1.05 0.88 0.35 -0.55 3.86 -1.04 0.19 115.15 119.89 3cx5 h HIS 129 Ca 0.22 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 3cx5 h HIS 129 Cb 0.37 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3cx5 h HIS 129 CO 0.03 0.56 -0.17 1.25 0.86 0.00 0.00 177.93 180.46 3cx5 h LEU 130 N 0.94 -0.40 -1.11 2.43 6.46 -1.01 -2.82 115.31 119.80 3cx5 h LEU 130 Ca 0.25 -0.09 0.06 0.00 -0.12 0.00 0.00 57.88 57.99 3cx5 h LEU 130 Cb -0.09 0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 39.88 3cx5 h LEU 130 CO -0.05 -0.15 0.61 -0.61 -0.62 0.00 0.00 178.44 177.61 3cx5 h GLN 131 N -0.65 1.05 -0.58 1.25 5.75 -0.72 -1.71 115.11 119.51 3cx5 h GLN 131 Ca -0.05 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.37 3cx5 h GLN 131 Cb 0.46 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 3cx5 h GLN 131 CO 0.08 0.70 0.29 1.25 -2.65 0.00 0.00 178.83 178.49 3cx5 h HIS 132 N 1.09 0.83 -0.14 3.99 2.76 -0.55 0.93 115.15 124.06 3cx5 h HIS 132 Ca 0.40 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.53 3cx5 h HIS 132 Cb 0.16 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 3cx5 h HIS 132 CO -0.00 0.63 0.08 -0.92 -1.30 0.00 0.00 177.93 176.42 3cx5 h TYR 133 N 0.79 0.19 -0.27 5.26 3.20 -1.18 -0.62 116.97 124.35 3cx5 h TYR 133 Ca 0.20 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3cx5 h TYR 133 Cb 0.11 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3cx5 h TYR 133 CO -0.00 0.18 0.17 -0.07 -1.64 0.00 0.00 178.16 176.80 3cx5 h LEU 134 N 0.14 0.31 -0.41 2.82 3.38 -0.94 -2.35 115.31 118.26 3cx5 h LEU 134 Ca 0.05 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3cx5 h LEU 134 Cb 0.05 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3cx5 h LEU 134 CO -0.01 0.25 0.24 0.44 0.09 0.00 0.00 178.44 179.46 3cx5 h ASP 135 N 0.35 0.50 -0.57 -0.43 3.32 -0.72 0.40 116.42 119.26 3cx5 h ASP 135 Ca 0.10 -0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.19 3cx5 h ASP 135 Cb -0.01 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3cx5 h ASP 135 CO -0.02 0.41 0.39 0.74 -1.72 0.00 0.00 179.24 179.04 3cx5 h THR 136 N 0.54 0.87 0.12 0.35 2.02 -0.91 0.78 112.91 116.68 3cx5 h THR 136 Ca 0.15 -0.12 -0.34 0.00 0.77 0.00 0.00 66.41 66.87 3cx5 h THR 136 Cb 0.01 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3cx5 h THR 136 CO -0.03 0.06 -1.82 0.00 0.37 0.00 0.00 175.52 174.11 3cx5 h ALA 137 N 1.71 0.34 0.13 6.16 0.00 -0.86 -3.41 119.26 123.33 3cx5 h ALA 137 Ca 0.27 -1.30 -0.28 0.00 0.00 0.00 0.00 54.91 53.59 3cx5 h ALA 137 Cb 0.59 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3cx5 h ALA 137 CO -0.07 1.15 -1.34 1.79 0.00 0.00 0.00 179.25 180.79 3cx5 h THR 138 N -0.08 1.39 -0.11 0.00 1.35 -0.00 -3.38 112.91 112.07 3cx5 h THR 138 Ca -0.39 -2.98 0.05 0.00 -0.55 0.00 0.00 66.41 62.54 3cx5 h THR 138 Cb 1.94 2.89 -0.06 0.00 -1.73 0.00 0.00 68.15 71.19 3cx5 h THR 138 CO 0.07 0.87 -0.29 0.00 -0.25 0.00 0.00 175.52 175.91 3cx5 h ALA 139 N 0.55 -0.33 0.00 6.62 0.00 -1.05 0.78 119.26 125.83 3cx5 h ALA 139 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3cx5 h ALA 139 Cb 1.99 0.55 0.00 0.00 0.00 0.00 0.00 17.79 20.33 3cx5 h ALA 139 CO 0.19 -0.77 0.00 -0.35 0.00 0.00 0.00 179.25 178.32 3cx5 n PRO 140 N -5.40 0.08 -0.06 0.00 -0.04 -1.26 -3.42 135.00 124.90 3cx5 n PRO 140 Ca -0.03 0.35 -0.03 0.00 -0.04 0.00 0.00 63.50 63.74 3cx5 n PRO 140 Cb 0.31 -1.66 -0.13 0.00 -0.04 0.00 0.00 33.50 31.99 3cx5 n PRO 140 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3cx5 n ARG 141 N -1.81 1.20 0.07 0.54 1.74 -0.80 -4.77 116.66 112.83 3cx5 n ARG 141 Ca 0.03 -0.05 -0.13 0.00 -0.77 0.00 0.00 57.85 56.93 3cx5 n ARG 141 Cb 0.17 -1.40 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 3cx5 n ARG 141 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3cx5 h LEU 142 N 0.00 -1.19 -2.54 0.55 5.85 -0.89 -3.03 115.31 114.06 3cx5 h LEU 142 Ca -0.31 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.57 3cx5 h LEU 142 Cb 1.65 0.47 -0.00 0.00 0.37 0.00 0.00 40.66 43.14 3cx5 h LEU 142 CO 0.02 -0.45 0.12 -0.26 -0.34 0.00 0.00 178.44 177.53 3cx5 h PHE 143 N -0.56 0.00 0.00 1.25 -1.00 -1.86 0.76 116.94 115.52 3cx5 h PHE 143 Ca 0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3cx5 h PHE 143 Cb 0.64 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.20 3cx5 h PHE 143 CO -0.40 0.00 0.00 -0.44 -1.61 0.00 0.00 178.31 175.86 3cx5 h ASP 144 N 0.00 0.00 0.05 2.17 3.32 -1.85 -2.23 116.42 117.88 3cx5 h ASP 144 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3cx5 h ASP 144 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3cx5 h ASP 144 CO -0.00 0.00 -0.34 0.29 -1.72 0.00 0.00 179.24 177.47 3cx5 n LYS 145 N -2.97 1.25 -3.86 3.56 4.76 0.25 -4.97 118.16 116.18 3cx5 n LYS 145 Ca 0.01 -0.95 -0.22 0.00 -2.87 0.00 0.00 58.31 54.28 3cx5 n LYS 145 Cb 0.29 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.96 3cx5 n LYS 145 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3cx5 s LEU 146 N -2.41 3.48 0.00 -0.35 1.43 -0.84 -5.00 118.68 114.99 3cx5 s LEU 146 Ca 0.22 -0.60 0.28 0.00 -1.03 0.00 0.00 54.13 53.00 3cx5 s LEU 146 Cb 0.19 -2.06 1.12 0.00 0.03 0.00 0.00 46.19 45.47 3cx5 s LEU 146 CO 0.52 -0.38 1.79 1.17 0.23 0.00 0.00 176.35 179.67