#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqs n ALA 48 N 0.00 -2.53 -2.17 0.00 0.00 -1.26 -4.95 120.51 109.61 1rqs n ALA 48 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 53.44 52.77 1rqs n ALA 48 Cb 0.00 -2.81 -0.01 0.00 0.00 0.00 0.00 19.45 16.63 1rqs n ALA 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rqs s GLU 49 N -7.06 2.69 -0.14 0.00 2.02 -1.26 -5.09 118.70 109.87 1rqs s GLU 49 Ca 0.44 -1.38 -0.22 0.00 0.02 0.00 0.00 54.97 53.83 1rqs s GLU 49 Cb -0.22 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 1rqs s GLU 49 CO 0.95 -0.19 0.68 -1.21 0.02 0.00 0.00 175.26 175.50 1rqs s GLU 50 N -4.21 4.32 -0.87 1.61 8.01 -1.26 -5.00 118.70 121.30 1rqs s GLU 50 Ca 0.50 0.77 -0.00 0.00 0.01 0.00 0.00 54.97 56.25 1rqs s GLU 50 Cb -0.06 -3.52 0.22 0.00 -4.31 0.00 0.00 34.13 26.46 1rqs s GLU 50 CO 0.30 -0.11 0.79 1.63 0.01 0.00 0.00 175.26 177.88 1rqs n LYS 51 N 4.49 2.64 -1.47 1.61 5.02 -1.26 -4.77 118.16 124.42 1rqs n LYS 51 Ca -0.01 -4.50 0.00 0.00 -2.02 0.00 0.00 58.31 51.78 1rqs n LYS 51 Cb 0.50 -2.39 0.09 0.00 -0.02 0.00 0.00 35.03 33.21 1rqs n LYS 51 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1rqs n THR 52 N 2.08 1.25 -3.71 -0.18 -2.24 -1.26 -4.95 114.28 105.27 1rqs n THR 52 Ca 0.22 -2.45 -0.30 0.00 -2.27 0.00 0.00 64.05 59.26 1rqs n THR 52 Cb 0.37 0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 68.82 1rqs n THR 52 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1rqs s GLU 53 N -2.12 1.15 -0.01 -0.78 2.02 -1.26 -4.24 118.70 113.46 1rqs s GLU 53 Ca 0.36 -1.80 0.04 0.00 0.02 0.00 0.00 54.97 53.59 1rqs s GLU 53 Cb 0.38 -2.24 -0.03 0.00 0.10 0.00 0.00 34.13 32.33 1rqs s GLU 53 CO -0.09 -1.13 -0.10 -0.06 0.02 0.00 0.00 175.26 173.90 1rqs s PHE 54 N 0.63 2.80 -0.08 1.61 0.40 -0.47 -4.76 117.98 118.11 1rqs s PHE 54 Ca 0.16 -0.09 -0.00 0.00 -0.60 0.00 0.00 56.93 56.39 1rqs s PHE 54 Cb -0.23 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 1rqs s PHE 54 CO -0.04 0.30 -0.04 -0.51 0.70 0.00 0.00 175.22 175.63 1rqs s ASP 55 N -1.17 4.85 -0.27 1.36 1.01 0.76 -0.45 116.67 122.76 1rqs s ASP 55 Ca 0.15 0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.41 1rqs s ASP 55 Cb -0.11 -1.31 0.03 0.00 1.01 0.00 0.00 42.92 42.54 1rqs s ASP 55 CO 0.05 0.36 -0.03 -0.69 0.21 0.00 0.00 175.17 175.06 1rqs s VAL 56 N -0.76 3.03 0.04 -1.27 1.01 -0.45 -2.32 120.40 119.68 1rqs s VAL 56 Ca 0.12 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1rqs s VAL 56 Cb -0.11 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1rqs s VAL 56 CO 0.02 0.09 -0.00 -0.63 0.00 0.00 0.00 175.10 174.58 1rqs s ILE 57 N 1.32 4.06 -0.30 2.22 1.09 -0.27 -0.99 121.20 128.34 1rqs s ILE 57 Ca -0.01 -0.77 -0.09 0.00 -1.10 0.00 0.00 60.65 58.67 1rqs s ILE 57 Cb -0.18 -2.86 -0.01 0.00 -1.06 0.00 0.00 42.46 38.35 1rqs s ILE 57 CO -0.03 0.27 0.14 -0.22 -0.10 0.00 0.00 174.94 175.01 1rqs s LEU 58 N -1.86 3.99 -0.23 2.97 1.98 0.62 -1.37 118.68 124.78 1rqs s LEU 58 Ca 0.22 -0.42 -0.16 0.00 -2.89 0.00 0.00 54.13 50.88 1rqs s LEU 58 Cb -0.12 -2.00 -0.10 0.00 0.66 0.00 0.00 46.19 44.63 1rqs s LEU 58 CO 0.13 -0.15 -0.29 0.29 -1.89 0.00 0.00 176.35 174.44 1rqs n LYS 59 N 4.98 0.56 -3.71 1.98 5.02 -0.97 -1.27 118.16 124.74 1rqs n LYS 59 Ca -0.14 0.29 -0.19 0.00 -2.02 0.00 0.00 58.31 56.25 1rqs n LYS 59 Cb 0.50 -1.51 -0.17 0.00 -0.02 0.00 0.00 35.03 33.82 1rqs n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rqs s ALA 60 N -2.65 0.23 0.41 7.82 0.00 -1.00 -4.55 121.76 122.02 1rqs s ALA 60 Ca -0.33 0.19 0.23 0.00 0.00 0.00 0.00 51.96 52.06 1rqs s ALA 60 Cb 0.09 -0.53 1.28 0.00 0.00 0.00 0.00 23.12 23.96 1rqs s ALA 60 CO 0.46 -0.39 2.03 0.00 0.00 0.00 0.00 175.76 177.86 1rqs h ALA 61 N 8.13 1.37 -0.16 0.00 0.00 -1.91 0.14 119.26 126.83 1rqs h ALA 61 Ca -0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1rqs h ALA 61 Cb 1.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1rqs h ALA 61 CO 0.24 0.20 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1rqs n GLY 62 N -0.71 -0.84 1.92 0.00 0.00 -1.26 -3.76 105.19 100.54 1rqs n GLY 62 Ca -0.02 -1.18 -0.18 0.00 0.00 0.00 0.00 46.02 44.64 1rqs n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqs n ALA 63 N 2.91 5.17 -2.83 4.61 0.00 -1.25 -4.10 120.51 125.03 1rqs n ALA 63 Ca 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 53.44 51.48 1rqs n ALA 63 Cb 0.00 -1.41 0.06 0.00 0.00 0.00 0.00 19.45 18.11 1rqs n ALA 63 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rqs n ASN 64 N 0.13 -1.20 0.26 0.00 4.05 -1.25 -4.95 115.26 112.30 1rqs n ASN 64 Ca 0.34 -3.25 0.10 0.00 0.45 0.00 0.00 54.58 52.22 1rqs n ASN 64 Cb 0.64 0.97 0.67 0.00 1.23 0.00 0.00 39.78 43.29 1rqs n ASN 64 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 1rqs h LYS 65 N 2.83 0.00 0.59 1.20 3.64 -1.77 -2.27 116.57 120.79 1rqs h LYS 65 Ca -0.08 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1rqs h LYS 65 Cb 1.11 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1rqs h LYS 65 CO 0.21 0.09 -0.28 0.28 -2.27 0.00 0.00 179.45 177.48 1rqs h VAL 66 N 0.00 0.00 -0.87 2.00 2.07 -1.94 0.72 116.25 118.23 1rqs h VAL 66 Ca -0.00 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.53 1rqs h VAL 66 Cb 0.17 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.86 1rqs h VAL 66 CO 0.01 0.00 0.48 0.00 0.02 0.00 0.00 177.57 178.08 1rqs h ALA 67 N -1.52 1.29 0.68 1.67 0.00 -1.94 -0.57 119.26 118.87 1rqs h ALA 67 Ca -0.08 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1rqs h ALA 67 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1rqs h ALA 67 CO 0.13 0.02 -0.46 0.28 0.00 0.00 0.00 179.25 179.22 1rqs h VAL 68 N 0.74 0.00 -0.99 0.00 2.07 -1.31 0.19 116.25 116.95 1rqs h VAL 68 Ca 0.45 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.20 1rqs h VAL 68 Cb 0.54 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 1rqs h VAL 68 CO -0.31 0.00 0.64 0.40 0.02 0.00 0.00 177.57 178.32 1rqs h ILE 69 N -1.09 0.60 0.29 4.57 2.04 -0.15 0.31 117.51 124.09 1rqs h ILE 69 Ca -0.09 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1rqs h ILE 69 Cb 0.88 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1rqs h ILE 69 CO 0.07 0.08 -0.14 0.11 0.00 0.00 0.00 178.15 178.27 1rqs h LYS 70 N 0.46 -0.38 -0.82 2.37 1.57 -0.39 -0.61 116.57 118.77 1rqs h LYS 70 Ca 0.55 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.47 1rqs h LYS 70 Cb 1.30 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 33.61 1rqs h LYS 70 CO -0.27 -0.10 0.45 0.00 -0.57 0.00 0.00 179.45 178.96 1rqs h ALA 71 N -0.00 1.18 -0.80 3.86 0.00 0.21 0.40 119.26 124.11 1rqs h ALA 71 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rqs h ALA 71 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rqs h ALA 71 CO 0.07 0.03 0.00 0.28 0.00 0.00 0.00 179.25 179.63 1rqs n VAL 72 N -4.79 0.00 -0.33 0.00 0.31 0.82 -0.18 118.33 114.16 1rqs n VAL 72 Ca 0.14 1.37 0.31 0.00 -0.01 0.00 0.00 64.34 66.15 1rqs n VAL 72 Cb 0.32 -2.33 0.67 0.00 -0.91 0.00 0.00 33.84 31.59 1rqs n VAL 72 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1rqs h ARG 73 N 0.00 0.13 -0.08 5.55 2.43 -0.95 0.75 114.38 122.21 1rqs h ARG 73 Ca 0.00 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1rqs h ARG 73 Cb 0.00 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1rqs h ARG 73 CO 0.00 0.09 -0.62 0.78 -1.51 0.00 0.00 179.97 178.71 1rqs h GLY 74 N 0.14 0.33 1.30 2.80 0.00 0.10 0.62 103.07 108.35 1rqs h GLY 74 Ca 0.59 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.42 1rqs h GLY 74 CO -0.12 0.37 -0.94 0.00 0.00 0.00 0.00 176.54 175.85 1rqs h ALA 75 N 1.13 0.65 -1.55 3.60 0.00 0.37 -3.43 119.26 120.02 1rqs h ALA 75 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1rqs h ALA 75 Cb 1.14 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1rqs h ALA 75 CO 0.10 0.45 0.00 0.25 0.00 0.00 0.00 179.25 180.05 1rqs n THR 76 N -2.91 0.00 0.00 0.00 -2.24 0.76 -5.07 114.28 104.82 1rqs n THR 76 Ca -0.03 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1rqs n THR 76 Cb 0.69 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1rqs n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rqs n GLY 77 N 3.49 1.85 3.78 3.38 0.00 0.22 -5.01 105.19 112.90 1rqs n GLY 77 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1rqs n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rqs s LEU 78 N 0.00 3.50 0.44 0.99 1.43 -1.26 -4.96 118.68 118.82 1rqs s LEU 78 Ca 0.00 2.02 -0.24 0.00 -1.03 0.00 0.00 54.13 54.88 1rqs s LEU 78 Cb 0.00 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.57 1rqs s LEU 78 CO 0.00 -1.46 1.11 0.61 0.23 0.00 0.00 176.35 176.84 1rqs n GLY 79 N -0.41 0.08 0.34 -3.19 0.00 -1.26 -4.61 105.19 96.13 1rqs n GLY 79 Ca 0.10 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.41 1rqs n GLY 79 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rqs h LEU 80 N 1.66 -0.43 0.33 0.99 7.12 -1.99 0.19 115.31 123.18 1rqs h LEU 80 Ca -0.46 0.27 -0.02 0.00 0.13 0.00 0.00 57.88 57.81 1rqs h LEU 80 Cb 1.32 0.47 0.00 0.00 -0.53 0.00 0.00 40.66 41.92 1rqs h LEU 80 CO 0.58 -0.34 -0.19 0.50 -0.13 0.00 0.00 178.44 178.85 1rqs h LYS 81 N 0.02 -0.47 -0.95 1.25 1.63 -1.99 0.10 116.57 116.17 1rqs h LYS 81 Ca 0.59 0.03 0.27 0.00 -0.85 0.00 0.00 60.65 60.69 1rqs h LYS 81 Cb 1.22 0.11 -0.17 0.00 -0.60 0.00 0.00 32.23 32.79 1rqs h LYS 81 CO -0.89 -0.31 0.12 0.93 -3.45 0.00 0.00 179.45 175.84 1rqs h GLU 82 N -0.49 0.06 -0.30 1.90 5.08 -1.36 0.65 114.58 120.12 1rqs h GLU 82 Ca -0.05 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1rqs h GLU 82 Cb 0.38 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1rqs h GLU 82 CO 0.05 0.04 0.13 0.00 -1.00 0.00 0.00 179.01 178.23 1rqs h ALA 83 N 1.92 0.39 0.15 3.43 0.00 -0.45 0.84 119.26 125.55 1rqs h ALA 83 Ca 0.60 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1rqs h ALA 83 Cb 1.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1rqs h ALA 83 CO -0.83 -0.01 -0.26 -0.22 0.00 0.00 0.00 179.25 177.93 1rqs h LYS 84 N 0.35 -0.47 -0.32 0.00 3.64 0.28 -1.01 116.57 119.04 1rqs h LYS 84 Ca 0.10 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1rqs h LYS 84 Cb 0.17 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1rqs h LYS 84 CO -0.01 -0.31 0.08 -0.44 -2.27 0.00 0.00 179.45 176.50 1rqs h ASP 85 N -0.48 0.04 -0.16 4.20 3.32 -0.74 0.77 116.42 123.37 1rqs h ASP 85 Ca 0.02 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.15 1rqs h ASP 85 Cb 0.49 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.03 1rqs h ASP 85 CO -0.13 0.06 -0.52 0.25 -1.72 0.00 0.00 179.24 177.18 1rqs h LEU 86 N 0.20 -1.66 -1.09 1.55 6.46 -0.37 0.54 115.31 120.95 1rqs h LEU 86 Ca 0.15 0.20 0.02 0.00 -0.12 0.00 0.00 57.88 58.13 1rqs h LEU 86 Cb 0.15 0.66 -0.05 0.00 -0.73 0.00 0.00 40.66 40.68 1rqs h LEU 86 CO -0.18 -0.47 0.62 0.58 -0.62 0.00 0.00 178.44 178.37 1rqs h VAL 87 N -0.55 1.20 0.00 1.05 2.07 -0.79 0.12 116.25 119.35 1rqs h VAL 87 Ca 0.05 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1rqs h VAL 87 Cb 0.67 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1rqs h VAL 87 CO -0.45 0.22 0.00 -0.33 0.02 0.00 0.00 177.57 177.03 1rqs h GLU 88 N 1.22 0.00 -0.50 1.57 5.08 0.79 -2.15 114.58 120.59 1rqs h GLU 88 Ca 0.36 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 1rqs h GLU 88 Cb -0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1rqs h GLU 88 CO -0.10 0.00 0.04 0.43 -1.00 0.00 0.00 179.01 178.39 1rqs n SER 89 N -2.44 4.91 -4.48 1.42 7.64 0.17 -5.01 113.62 115.83 1rqs n SER 89 Ca 0.02 -3.04 -0.38 0.00 1.01 0.00 0.00 58.87 56.49 1rqs n SER 89 Cb 0.27 -0.65 0.05 0.00 -1.01 0.00 0.00 64.21 62.87 1rqs n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rqs n ALA 90 N 0.07 -1.10 -1.63 -0.43 0.00 -0.81 -4.46 120.51 112.15 1rqs n ALA 90 Ca 0.28 -0.08 -0.32 0.00 0.00 0.00 0.00 53.44 53.32 1rqs n ALA 90 Cb 1.13 -1.86 0.03 0.00 0.00 0.00 0.00 19.45 18.75 1rqs n ALA 90 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rqs s PRO 91 N -2.33 3.17 0.08 0.00 0.04 -1.26 -5.09 135.00 129.60 1rqs s PRO 91 Ca 0.69 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.80 1rqs s PRO 91 Cb -0.42 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1rqs s PRO 91 CO 0.54 -0.92 -0.06 0.00 0.04 0.00 0.00 177.00 176.61 1rqs s ALA 92 N -2.76 0.78 -0.38 8.56 0.00 -0.40 -4.97 121.76 122.59 1rqs s ALA 92 Ca 0.61 -1.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.17 1rqs s ALA 92 Cb -0.15 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1rqs s ALA 92 CO 0.46 -0.22 0.62 0.00 0.00 0.00 0.00 175.76 176.62 1rqs s ALA 93 N -3.21 3.42 -0.09 0.00 0.00 -1.26 -0.28 121.76 120.34 1rqs s ALA 93 Ca 0.06 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.84 1rqs s ALA 93 Cb 0.03 -3.19 -0.28 0.00 0.00 0.00 0.00 23.12 19.67 1rqs s ALA 93 CO -0.05 -1.46 0.69 -0.07 0.00 0.00 0.00 175.76 174.87 1rqs h LEU 94 N 9.44 0.34 -7.64 0.00 3.38 -1.40 -3.48 115.31 115.95 1rqs h LEU 94 Ca -0.26 -0.88 -0.15 0.00 0.09 0.00 0.00 57.88 56.68 1rqs h LEU 94 Cb 1.11 -0.11 -0.22 0.00 0.09 0.00 0.00 40.66 41.53 1rqs h LEU 94 CO 0.84 1.45 -0.44 -0.54 0.09 0.00 0.00 178.44 179.85 1rqs s LYS 95 N -2.42 0.47 -0.09 1.13 1.02 -0.66 -4.95 119.74 114.24 1rqs s LYS 95 Ca -0.18 -0.19 0.02 0.00 0.02 0.00 0.00 55.97 55.64 1rqs s LYS 95 Cb 0.02 0.20 0.01 0.00 -0.52 0.00 0.00 37.83 37.55 1rqs s LYS 95 CO 0.77 -0.11 -0.15 -1.21 -0.92 0.00 0.00 175.35 173.73 1rqs s GLU 96 N -1.02 2.09 -0.72 1.68 2.02 -1.26 -1.34 118.70 120.14 1rqs s GLU 96 Ca -0.11 -0.53 -0.08 0.00 0.02 0.00 0.00 54.97 54.27 1rqs s GLU 96 Cb -0.06 -1.73 0.01 0.00 0.10 0.00 0.00 34.13 32.45 1rqs s GLU 96 CO 0.02 -0.00 0.63 0.41 0.02 0.00 0.00 175.26 176.34 1rqs n GLY 97 N 3.98 -1.03 3.52 -1.39 0.00 -1.15 -4.95 105.19 104.17 1rqs n GLY 97 Ca -0.20 0.72 -0.25 0.00 0.00 0.00 0.00 46.02 46.29 1rqs n GLY 97 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rqs s VAL 98 N -2.70 1.78 0.40 1.61 -7.23 0.41 -4.74 120.40 109.93 1rqs s VAL 98 Ca 0.08 -2.07 -0.27 0.00 -1.81 0.00 0.00 61.98 57.92 1rqs s VAL 98 Cb -0.01 -2.76 -0.10 0.00 0.56 0.00 0.00 36.38 34.07 1rqs s VAL 98 CO 0.86 -0.11 1.42 -1.54 -0.31 0.00 0.00 175.10 175.42 1rqs n SER 99 N -0.78 3.34 -0.23 4.85 3.41 -1.26 -1.37 113.62 121.58 1rqs n SER 99 Ca -0.04 1.18 -0.00 0.00 -0.26 0.00 0.00 58.87 59.74 1rqs n SER 99 Cb 0.65 -1.58 0.11 0.00 -0.26 0.00 0.00 64.21 63.13 1rqs n SER 99 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1rqs h LYS 100 N 2.57 0.59 -0.90 4.33 3.11 -1.92 -0.94 116.57 123.41 1rqs h LYS 100 Ca -0.50 -0.04 0.08 0.00 -2.81 0.00 0.00 60.65 57.39 1rqs h LYS 100 Cb 1.26 -0.13 -0.07 0.00 -1.00 0.00 0.00 32.23 32.29 1rqs h LYS 100 CO 0.62 0.39 0.56 -0.44 -2.81 0.00 0.00 179.45 177.77 1rqs h ASP 101 N 0.61 0.85 -0.19 4.20 5.19 -1.98 0.19 116.42 125.28 1rqs h ASP 101 Ca 0.31 0.03 -0.13 0.00 -0.62 0.00 0.00 57.03 56.63 1rqs h ASP 101 Cb 0.27 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1rqs h ASP 101 CO -0.23 0.51 -0.32 0.44 -3.12 0.00 0.00 179.24 176.53 1rqs h ASP 102 N 0.97 0.72 -0.11 6.45 3.32 -1.58 0.11 116.42 126.30 1rqs h ASP 102 Ca 0.41 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1rqs h ASP 102 Cb 0.28 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1rqs h ASP 102 CO -0.21 0.99 0.01 0.00 -1.72 0.00 0.00 179.24 178.30 1rqs h ALA 103 N 1.06 0.15 0.00 3.45 0.00 0.10 -2.51 119.26 121.51 1rqs h ALA 103 Ca 0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1rqs h ALA 103 Cb 0.83 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1rqs h ALA 103 CO 0.07 -0.17 -0.46 1.49 0.00 0.00 0.00 179.25 180.18 1rqs h GLU 104 N -0.07 0.00 0.16 0.00 4.81 -0.58 -0.87 114.58 118.03 1rqs h GLU 104 Ca 0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1rqs h GLU 104 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1rqs h GLU 104 CO 0.00 0.46 -0.08 0.00 -0.73 0.00 0.00 179.01 178.67 1rqs h ALA 105 N 1.54 -0.21 -0.36 2.92 0.00 -0.62 0.15 119.26 122.67 1rqs h ALA 105 Ca -0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 1rqs h ALA 105 Cb 0.93 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1rqs h ALA 105 CO 0.06 -0.48 -0.43 1.25 0.00 0.00 0.00 179.25 179.65 1rqs h LEU 106 N -0.48 1.00 -0.27 0.00 5.85 -1.42 -2.80 115.31 117.18 1rqs h LEU 106 Ca -0.02 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.27 1rqs h LEU 106 Cb 0.38 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 1rqs h LEU 106 CO 0.04 1.28 -0.10 0.50 -0.34 0.00 0.00 178.44 179.82 1rqs h LYS 107 N 0.74 -0.04 -0.86 1.25 3.64 -1.08 0.50 116.57 120.71 1rqs h LYS 107 Ca 0.05 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.53 1rqs h LYS 107 Cb 1.03 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.78 1rqs h LYS 107 CO 0.10 -0.03 0.50 0.87 -2.27 0.00 0.00 179.45 178.62 1rqs h LYS 108 N -0.05 0.80 -0.58 1.90 1.57 -0.88 0.34 116.57 119.68 1rqs h LYS 108 Ca 0.13 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1rqs h LYS 108 Cb 0.25 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1rqs h LYS 108 CO -0.30 0.53 -0.01 0.00 -0.57 0.00 0.00 179.45 179.10 1rqs h ALA 109 N 1.47 0.78 -0.54 3.86 0.00 -0.85 -0.58 119.26 123.41 1rqs h ALA 109 Ca 0.42 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1rqs h ALA 109 Cb 0.39 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1rqs h ALA 109 CO -0.25 0.62 0.15 -0.07 0.00 0.00 0.00 179.25 179.70 1rqs h LEU 110 N 0.92 0.80 -0.43 0.00 3.38 0.20 -1.85 115.31 118.33 1rqs h LEU 110 Ca 0.16 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1rqs h LEU 110 Cb 0.56 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1rqs h LEU 110 CO 0.03 0.81 0.08 -0.33 0.09 0.00 0.00 178.44 179.12 1rqs h GLU 111 N 0.75 0.70 -0.75 1.13 5.08 -0.25 0.16 114.58 121.40 1rqs h GLU 111 Ca 0.17 -0.18 0.12 0.00 -1.00 0.00 0.00 59.36 58.47 1rqs h GLU 111 Cb 0.31 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1rqs h GLU 111 CO -0.00 0.73 0.49 0.93 -1.00 0.00 0.00 179.01 180.16 1rqs h GLU 112 N 0.56 0.55 0.04 2.33 4.39 -0.80 -0.01 114.58 121.64 1rqs h GLU 112 Ca 0.13 -0.03 -0.24 0.00 0.34 0.00 0.00 59.36 59.56 1rqs h GLU 112 Cb 0.36 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1rqs h GLU 112 CO 0.01 0.36 -1.15 0.00 -1.16 0.00 0.00 179.01 177.07 1rqs h ALA 113 N 1.63 0.30 0.00 3.43 0.00 -0.81 -3.48 119.26 120.32 1rqs h ALA 113 Ca 0.36 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1rqs h ALA 113 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1rqs h ALA 113 CO -0.13 1.18 0.00 0.41 0.00 0.00 0.00 179.25 180.72 1rqs n GLY 114 N 1.44 0.81 3.26 0.00 0.00 0.42 -4.64 105.19 106.47 1rqs n GLY 114 Ca -0.04 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 1rqs n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqs s ALA 115 N -1.66 1.57 -0.26 4.61 0.00 -0.36 -3.74 121.76 121.92 1rqs s ALA 115 Ca 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 51.96 50.47 1rqs s ALA 115 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1rqs s ALA 115 CO 0.00 0.04 0.11 -2.00 0.00 0.00 0.00 175.76 173.91 1rqs s GLU 116 N -3.14 3.76 0.18 0.00 2.56 0.48 -4.33 118.70 118.22 1rqs s GLU 116 Ca 0.13 -0.42 0.11 0.00 0.00 0.00 0.00 54.97 54.79 1rqs s GLU 116 Cb -0.02 -3.43 -0.04 0.00 2.00 0.00 0.00 34.13 32.63 1rqs s GLU 116 CO 0.03 -0.17 -0.24 0.08 -0.56 0.00 0.00 175.26 174.40 1rqs s VAL 117 N 1.62 2.32 -0.08 3.70 1.01 -1.26 -2.30 120.40 125.40 1rqs s VAL 117 Ca 0.06 -2.00 0.04 0.00 0.00 0.00 0.00 61.98 60.09 1rqs s VAL 117 Cb -0.15 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1rqs s VAL 117 CO 0.06 -0.10 -0.23 -0.70 0.00 0.00 0.00 175.10 174.13 1rqs s GLU 118 N -2.60 2.86 -0.20 2.72 2.12 -0.47 -4.93 118.70 118.20 1rqs s GLU 118 Ca 0.20 -0.86 -0.07 0.00 0.36 0.00 0.00 54.97 54.60 1rqs s GLU 118 Cb -0.08 -2.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.99 1rqs s GLU 118 CO 0.09 0.29 0.05 0.08 -0.54 0.00 0.00 175.26 175.23 1rqs s VAL 119 N 0.09 4.52 0.00 3.70 1.01 -1.26 -1.11 120.40 127.35 1rqs s VAL 119 Ca -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1rqs s VAL 119 Cb -0.16 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1rqs s VAL 119 CO 0.06 0.43 0.00 1.17 0.00 0.00 0.00 175.10 176.76