#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqs s ALA 48 N 0.00 -3.26 0.62 0.00 0.00 -1.26 -5.17 121.76 112.69 1rqs s ALA 48 Ca 0.00 1.33 -0.05 0.00 0.00 0.00 0.00 51.96 53.24 1rqs s ALA 48 Cb 0.00 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.53 1rqs s ALA 48 CO 0.00 -1.83 0.91 -1.21 0.00 0.00 0.00 175.76 173.63 1rqs s GLU 49 N 2.91 2.62 -0.37 0.00 2.02 -1.26 -5.03 118.70 119.59 1rqs s GLU 49 Ca 0.17 -0.22 -0.22 0.00 0.02 0.00 0.00 54.97 54.72 1rqs s GLU 49 Cb -0.07 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.89 1rqs s GLU 49 CO -0.22 -0.87 0.74 -1.21 0.02 0.00 0.00 175.26 173.73 1rqs s GLU 50 N -5.03 3.69 -1.03 1.61 8.01 -1.26 -4.98 118.70 119.71 1rqs s GLU 50 Ca 0.56 0.19 -0.05 0.00 0.01 0.00 0.00 54.97 55.68 1rqs s GLU 50 Cb -0.11 -3.82 0.27 0.00 -4.31 0.00 0.00 34.13 26.16 1rqs s GLU 50 CO 0.44 -0.85 1.14 0.36 0.01 0.00 0.00 175.26 176.35 1rqs n LYS 51 N 6.35 3.58 -1.62 1.61 2.85 -1.26 -4.69 118.16 124.98 1rqs n LYS 51 Ca 0.02 -4.51 -0.00 0.00 -1.05 0.00 0.00 58.31 52.77 1rqs n LYS 51 Cb 0.48 -2.49 0.08 0.00 -0.65 0.00 0.00 35.03 32.45 1rqs n LYS 51 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1rqs n THR 52 N 2.07 1.17 -3.63 0.58 -2.24 -1.26 -4.87 114.28 106.09 1rqs n THR 52 Ca 0.25 -2.41 -0.29 0.00 -2.27 0.00 0.00 64.05 59.32 1rqs n THR 52 Cb 0.37 0.46 -0.12 0.00 -2.10 0.00 0.00 70.33 68.93 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 -2.11 1.16 0.08 -0.78 2.02 -1.26 -3.92 118.70 113.89 1rqs s GLU 53 Ca 0.36 -1.95 0.08 0.00 0.02 0.00 0.00 54.97 53.48 1rqs s GLU 53 Cb 0.37 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.49 1rqs s GLU 53 CO -0.09 -1.20 -0.17 -0.06 0.02 0.00 0.00 175.26 173.76 1rqs s PHE 54 N 0.37 2.57 -0.03 1.61 0.40 -0.70 -4.77 117.98 117.44 1rqs s PHE 54 Ca 0.20 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.29 1rqs s PHE 54 Cb -0.20 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 1rqs s PHE 54 CO -0.03 0.34 0.00 -0.51 0.70 0.00 0.00 175.22 175.72 1rqs s ASP 55 N -1.86 5.15 -0.29 1.36 1.11 0.06 -0.26 116.67 121.94 1rqs s ASP 55 Ca 0.17 0.04 -0.03 0.00 0.18 0.00 0.00 52.55 52.90 1rqs s ASP 55 Cb -0.11 -1.38 0.03 0.00 1.07 0.00 0.00 42.92 42.54 1rqs s ASP 55 CO 0.08 0.31 0.01 -0.69 1.18 0.00 0.00 175.17 176.07 1rqs s VAL 56 N -1.02 3.26 0.06 -1.27 1.01 -0.79 -1.24 120.40 120.41 1rqs s VAL 56 Ca 0.18 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1rqs s VAL 56 Cb -0.11 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1rqs s VAL 56 CO 0.08 -0.01 -0.01 -0.63 0.00 0.00 0.00 175.10 174.54 1rqs s ILE 57 N 1.34 4.02 -0.28 2.22 1.01 0.20 -0.15 121.20 129.56 1rqs s ILE 57 Ca -0.02 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 1rqs s ILE 57 Cb -0.18 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 1rqs s ILE 57 CO -0.01 0.21 0.08 -0.22 0.00 0.00 0.00 174.94 175.00 1rqs s LEU 58 N -2.04 3.68 -0.26 2.97 2.96 0.59 -0.25 118.68 126.33 1rqs s LEU 58 Ca 0.23 -0.47 -0.12 0.00 -0.22 0.00 0.00 54.13 53.56 1rqs s LEU 58 Cb -0.12 -1.91 -0.14 0.00 0.50 0.00 0.00 46.19 44.52 1rqs s LEU 58 CO 0.15 -0.12 -0.25 0.29 -1.32 0.00 0.00 176.35 175.10 1rqs n LYS 59 N 4.90 0.60 -4.17 1.98 4.76 -1.00 -1.71 118.16 123.52 1rqs n LYS 59 Ca -0.15 0.27 -0.20 0.00 -2.87 0.00 0.00 58.31 55.36 1rqs n LYS 59 Cb 0.50 -1.53 -0.16 0.00 -1.84 0.00 0.00 35.03 31.99 1rqs n LYS 59 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rqs s ALA 60 N -2.50 0.71 0.22 7.82 0.00 -1.05 -4.60 121.76 122.37 1rqs s ALA 60 Ca -0.37 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 51.59 1rqs s ALA 60 Cb 0.13 -0.44 0.18 0.00 0.00 0.00 0.00 23.12 22.98 1rqs s ALA 60 CO 0.53 -0.03 1.51 0.00 0.00 0.00 0.00 175.76 177.77 1rqs h ALA 61 N 7.21 0.77 0.00 0.00 0.00 -1.92 0.87 119.26 126.19 1rqs h ALA 61 Ca -0.37 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1rqs h ALA 61 Cb 1.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1rqs h ALA 61 CO 0.46 0.89 0.00 0.41 0.00 0.00 0.00 179.25 181.01 1rqs n GLY 62 N 0.57 -1.85 1.78 0.00 0.00 -1.26 -4.03 105.19 100.40 1rqs n GLY 62 Ca -0.01 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 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 0.83 4.74 -2.79 4.61 0.00 -1.26 -3.97 120.51 122.66 1rqs n ALA 63 Ca 0.00 -1.49 -0.10 0.00 0.00 0.00 0.00 53.44 51.85 1rqs n ALA 63 Cb 0.00 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 18.21 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 0.24 -1.15 0.18 0.00 4.05 -1.26 -4.95 115.26 112.37 1rqs n ASN 64 Ca 0.28 -3.08 0.04 0.00 0.45 0.00 0.00 54.58 52.26 1rqs n ASN 64 Cb 0.70 0.88 0.44 0.00 1.23 0.00 0.00 39.78 43.03 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 2.70 0.08 -0.10 1.20 3.64 -1.76 -2.38 116.57 119.94 1rqs h LYS 65 Ca -0.12 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1rqs h LYS 65 Cb 1.15 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 1rqs h LYS 65 CO 0.19 0.28 -0.10 0.28 -2.27 0.00 0.00 179.45 177.83 1rqs h VAL 66 N 0.07 0.71 -0.29 2.00 2.07 -1.94 0.85 116.25 119.72 1rqs h VAL 66 Ca 0.01 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 1rqs h VAL 66 Cb 0.41 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1rqs h VAL 66 CO 0.03 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.35 1rqs h ALA 67 N 0.94 0.99 0.82 1.67 0.00 -1.89 -2.60 119.26 119.19 1rqs h ALA 67 Ca 0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1rqs h ALA 67 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rqs h ALA 67 CO -0.18 0.60 -0.45 0.28 0.00 0.00 0.00 179.25 179.50 1rqs h VAL 68 N 0.51 0.00 -1.03 0.00 2.07 -0.86 0.13 116.25 117.08 1rqs h VAL 68 Ca 0.07 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.85 1rqs h VAL 68 Cb 0.73 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.40 1rqs h VAL 68 CO 0.06 0.00 0.66 0.40 0.02 0.00 0.00 177.57 178.71 1rqs h ILE 69 N -1.17 0.54 0.22 4.57 2.04 -0.81 0.31 117.51 123.21 1rqs h ILE 69 Ca -0.11 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1rqs h ILE 69 Cb 0.92 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1rqs h ILE 69 CO 0.15 0.08 -0.10 0.11 0.00 0.00 0.00 178.15 178.38 1rqs h LYS 70 N 0.42 -0.28 -0.90 2.37 1.57 -1.02 -0.07 116.57 118.66 1rqs h LYS 70 Ca 0.59 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.49 1rqs h LYS 70 Cb 1.44 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.74 1rqs h LYS 70 CO -0.30 -0.01 0.54 0.00 -0.57 0.00 0.00 179.45 179.12 1rqs h ALA 71 N 0.18 1.31 0.12 3.86 0.00 0.22 0.30 119.26 125.25 1rqs h ALA 71 Ca -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1rqs h ALA 71 Cb 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rqs h ALA 71 CO 0.05 0.16 -0.06 0.28 0.00 0.00 0.00 179.25 179.68 1rqs h VAL 72 N 0.89 0.00 -1.13 0.00 2.07 -0.37 0.23 116.25 117.94 1rqs h VAL 72 Ca 0.44 -0.01 0.31 0.00 0.82 0.00 0.00 66.70 68.26 1rqs h VAL 72 Cb 0.40 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.10 1rqs h VAL 72 CO -0.25 0.00 0.77 -0.09 0.02 0.00 0.00 177.57 178.01 1rqs h ARG 73 N -0.16 0.19 -0.03 1.57 2.43 -0.81 0.78 114.38 118.36 1rqs h ARG 73 Ca -0.02 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.00 1rqs h ARG 73 Cb 0.12 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1rqs h ARG 73 CO 0.03 0.12 -0.62 0.78 -1.51 0.00 0.00 179.97 178.77 1rqs h GLY 74 N 0.19 0.10 1.20 2.80 0.00 -0.15 0.61 103.07 107.83 1rqs h GLY 74 Ca 0.60 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.72 1rqs h GLY 74 CO -0.18 0.12 -1.00 0.00 0.00 0.00 0.00 176.54 175.48 1rqs h ALA 75 N 1.30 0.62 -1.43 3.60 0.00 0.26 -3.43 119.26 120.17 1rqs h ALA 75 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1rqs h ALA 75 Cb 1.11 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rqs h ALA 75 CO 0.09 0.42 0.00 0.25 0.00 0.00 0.00 179.25 180.00 1rqs n THR 76 N -2.86 0.00 0.00 0.00 -2.24 0.66 -5.07 114.28 104.77 1rqs n THR 76 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1rqs n THR 76 Cb 0.68 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 3.65 1.88 3.77 3.38 0.00 0.21 -5.00 105.19 113.08 1rqs n GLY 77 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.47 0.43 0.99 1.43 -1.26 -4.95 118.68 118.79 1rqs s LEU 78 Ca 0.00 2.05 -0.24 0.00 -1.03 0.00 0.00 54.13 54.91 1rqs s LEU 78 Cb 0.00 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.56 1rqs s LEU 78 CO 0.00 -1.55 1.03 0.61 0.23 0.00 0.00 176.35 176.66 1rqs n GLY 79 N -0.35 -0.15 0.34 -3.19 0.00 -1.26 -4.56 105.19 96.02 1rqs n GLY 79 Ca 0.11 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 1.52 -0.61 0.38 0.99 7.12 -1.99 0.20 115.31 122.91 1rqs h LEU 80 Ca -0.45 0.28 -0.02 0.00 0.13 0.00 0.00 57.88 57.82 1rqs h LEU 80 Cb 1.34 0.52 0.00 0.00 -0.53 0.00 0.00 40.66 41.99 1rqs h LEU 80 CO 0.57 -0.34 -0.19 0.50 -0.13 0.00 0.00 178.44 178.85 1rqs h LYS 81 N 0.01 -0.50 -0.98 1.25 3.64 -1.99 0.10 116.57 118.11 1rqs h LYS 81 Ca 0.55 0.03 0.24 0.00 -1.27 0.00 0.00 60.65 60.21 1rqs h LYS 81 Cb 1.05 0.11 -0.18 0.00 -0.41 0.00 0.00 32.23 32.80 1rqs h LYS 81 CO -0.94 -0.33 -0.07 0.93 -2.27 0.00 0.00 179.45 176.76 1rqs h GLU 82 N -0.52 0.01 -0.27 1.90 5.08 -1.31 0.89 114.58 120.37 1rqs h GLU 82 Ca -0.05 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1rqs h GLU 82 Cb 0.40 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1rqs h GLU 82 CO 0.08 0.01 0.14 0.00 -1.00 0.00 0.00 179.01 178.24 1rqs h ALA 83 N 1.97 0.34 0.26 3.43 0.00 -0.56 0.15 119.26 124.86 1rqs h ALA 83 Ca 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1rqs h ALA 83 Cb 1.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1rqs h ALA 83 CO -0.94 -0.12 -0.29 -0.22 0.00 0.00 0.00 179.25 177.68 1rqs h LYS 84 N 0.31 -0.57 -0.42 0.00 3.64 0.27 -1.07 116.57 118.73 1rqs h LYS 84 Ca 0.09 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1rqs h LYS 84 Cb 0.07 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 1rqs h LYS 84 CO -0.01 -0.38 0.13 -0.44 -2.27 0.00 0.00 179.45 176.47 1rqs h ASP 85 N -0.59 0.11 -0.11 4.20 5.19 -0.38 0.13 116.42 124.97 1rqs h ASP 85 Ca -0.00 0.06 0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1rqs h ASP 85 Cb 0.55 0.05 -0.06 0.00 0.18 0.00 0.00 39.33 40.05 1rqs h ASP 85 CO -0.08 0.10 -0.53 0.25 -3.12 0.00 0.00 179.24 175.86 1rqs h LEU 86 N 0.28 -1.66 -1.07 1.55 6.46 -0.27 0.58 115.31 121.18 1rqs h LEU 86 Ca 0.20 0.20 0.04 0.00 -0.12 0.00 0.00 57.88 58.20 1rqs h LEU 86 Cb 0.21 0.65 -0.06 0.00 -0.73 0.00 0.00 40.66 40.73 1rqs h LEU 86 CO -0.22 -0.49 0.63 0.58 -0.62 0.00 0.00 178.44 178.32 1rqs h VAL 87 N -0.59 1.15 0.00 1.05 2.07 -0.67 0.14 116.25 119.39 1rqs h VAL 87 Ca 0.03 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1rqs h VAL 87 Cb 0.69 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1rqs h VAL 87 CO -0.42 0.22 0.00 -0.33 0.02 0.00 0.00 177.57 177.06 1rqs h GLU 88 N 1.19 0.00 -0.46 1.57 4.39 0.84 -2.21 114.58 119.90 1rqs h GLU 88 Ca 0.39 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.07 1rqs h GLU 88 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1rqs h GLU 88 CO -0.12 0.00 0.01 0.43 -1.16 0.00 0.00 179.01 178.17 1rqs n SER 89 N -2.34 4.95 -4.48 1.42 7.64 0.19 -5.01 113.62 115.99 1rqs n SER 89 Ca 0.02 -3.00 -0.38 0.00 1.01 0.00 0.00 58.87 56.53 1rqs n SER 89 Cb 0.27 -0.63 0.05 0.00 -1.01 0.00 0.00 64.21 62.88 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 0.12 -1.12 -1.62 -0.43 0.00 -0.83 -4.47 120.51 112.16 1rqs n ALA 90 Ca 0.26 -0.07 -0.32 0.00 0.00 0.00 0.00 53.44 53.31 1rqs n ALA 90 Cb 1.09 -1.86 0.03 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.30 3.12 0.06 0.00 0.04 -1.26 -5.09 135.00 129.57 1rqs s PRO 91 Ca 0.69 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.76 1rqs s PRO 91 Cb -0.42 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1rqs s PRO 91 CO 0.54 -0.96 -0.04 0.00 0.04 0.00 0.00 177.00 176.58 1rqs s ALA 92 N -2.83 0.62 -0.34 8.56 0.00 -0.70 -4.97 121.76 122.10 1rqs s ALA 92 Ca 0.60 -1.19 -0.18 0.00 0.00 0.00 0.00 51.96 51.19 1rqs s ALA 92 Cb -0.14 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1rqs s ALA 92 CO 0.48 -0.31 0.50 0.00 0.00 0.00 0.00 175.76 176.43 1rqs s ALA 93 N -3.59 3.49 -0.10 0.00 0.00 -1.26 -0.30 121.76 119.99 1rqs s ALA 93 Ca 0.06 -0.99 -0.18 0.00 0.00 0.00 0.00 51.96 50.85 1rqs s ALA 93 Cb 0.05 -2.99 -0.28 0.00 0.00 0.00 0.00 23.12 19.90 1rqs s ALA 93 CO -0.08 -1.17 0.62 -0.07 0.00 0.00 0.00 175.76 175.06 1rqs h LEU 94 N 9.05 0.36 -8.22 0.00 3.38 -0.89 -3.48 115.31 115.51 1rqs h LEU 94 Ca -0.28 -0.86 -0.21 0.00 0.09 0.00 0.00 57.88 56.62 1rqs h LEU 94 Cb 1.13 -0.12 -0.18 0.00 0.09 0.00 0.00 40.66 41.58 1rqs h LEU 94 CO 0.76 1.53 -0.71 -0.54 0.09 0.00 0.00 178.44 179.58 1rqs s LYS 95 N -2.45 0.58 -0.08 1.13 -0.14 -0.65 -4.95 119.74 113.18 1rqs s LYS 95 Ca -0.19 -0.97 0.00 0.00 -1.36 0.00 0.00 55.97 53.45 1rqs s LYS 95 Cb 0.03 -0.10 0.02 0.00 -1.68 0.00 0.00 37.83 36.11 1rqs s LYS 95 CO 0.77 -0.02 -0.06 -1.21 -0.76 0.00 0.00 175.35 174.07 1rqs s GLU 96 N -2.59 1.15 -0.78 1.68 2.02 -1.26 -1.88 118.70 117.03 1rqs s GLU 96 Ca -0.02 -0.15 -0.03 0.00 0.02 0.00 0.00 54.97 54.79 1rqs s GLU 96 Cb -0.03 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 33.00 1rqs s GLU 96 CO -0.03 -0.18 0.62 0.41 0.02 0.00 0.00 175.26 176.10 1rqs n GLY 97 N 4.58 -1.21 3.55 -1.39 0.00 -1.09 -4.94 105.19 104.69 1rqs n GLY 97 Ca -0.16 0.63 -0.24 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.89 2.62 0.45 1.61 -7.23 0.64 -4.72 120.40 110.87 1rqs s VAL 98 Ca 0.03 -2.19 -0.25 0.00 -1.81 0.00 0.00 61.98 57.76 1rqs s VAL 98 Cb -0.00 -2.57 -0.09 0.00 0.56 0.00 0.00 36.38 34.28 1rqs s VAL 98 CO 0.87 -0.31 1.33 -1.54 -0.31 0.00 0.00 175.10 175.14 1rqs n SER 99 N -0.77 2.81 -0.20 4.85 3.41 -1.25 -1.71 113.62 120.74 1rqs n SER 99 Ca -0.05 1.09 0.01 0.00 -0.26 0.00 0.00 58.87 59.66 1rqs n SER 99 Cb 0.61 -1.54 0.10 0.00 -0.26 0.00 0.00 64.21 63.12 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 2.07 0.14 -0.87 4.33 3.11 -1.90 0.93 116.57 124.38 1rqs h LYS 100 Ca -0.49 -0.01 0.10 0.00 -2.81 0.00 0.00 60.65 57.44 1rqs h LYS 100 Cb 1.29 -0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 32.41 1rqs h LYS 100 CO 0.60 0.09 0.51 -0.44 -2.81 0.00 0.00 179.45 177.40 1rqs h ASP 101 N 0.15 0.73 0.07 4.20 3.32 -1.98 0.24 116.42 123.15 1rqs h ASP 101 Ca 0.32 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.30 1rqs h ASP 101 Cb 0.51 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1rqs h ASP 101 CO -0.50 0.41 -0.41 0.44 -1.72 0.00 0.00 179.24 177.46 1rqs h ASP 102 N 0.84 0.46 -0.09 6.45 3.32 -1.26 -0.07 116.42 126.06 1rqs h ASP 102 Ca 0.43 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1rqs h ASP 102 Cb 0.40 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1rqs h ASP 102 CO -0.26 0.82 0.01 0.00 -1.72 0.00 0.00 179.24 178.09 1rqs h ALA 103 N 1.21 0.12 0.00 3.45 0.00 0.12 -1.25 119.26 122.91 1rqs h ALA 103 Ca 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1rqs h ALA 103 Cb 0.87 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1rqs h ALA 103 CO 0.07 -0.22 -0.38 1.49 0.00 0.00 0.00 179.25 180.21 1rqs h GLU 104 N -0.10 0.00 0.08 0.00 4.22 -0.54 0.02 114.58 118.25 1rqs h GLU 104 Ca 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.46 1rqs h GLU 104 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1rqs h GLU 104 CO 0.00 0.38 -0.04 0.00 -2.18 0.00 0.00 179.01 177.17 1rqs h ALA 105 N 1.62 -0.11 -0.34 2.92 0.00 -0.81 -0.66 119.26 121.89 1rqs h ALA 105 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1rqs h ALA 105 Cb 0.77 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1rqs h ALA 105 CO 0.05 -0.34 0.07 1.25 0.00 0.00 0.00 179.25 180.28 1rqs h LEU 106 N -0.54 0.52 -0.40 0.00 7.12 -1.10 -2.33 115.31 118.58 1rqs h LEU 106 Ca -0.01 -0.24 0.07 0.00 0.13 0.00 0.00 57.88 57.83 1rqs h LEU 106 Cb 0.46 -0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 40.39 1rqs h LEU 106 CO 0.02 0.62 0.05 0.50 -0.13 0.00 0.00 178.44 179.51 1rqs h LYS 107 N 0.39 0.17 -0.88 1.25 3.64 -1.01 -0.19 116.57 119.94 1rqs h LYS 107 Ca 0.10 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.59 1rqs h LYS 107 Cb 0.31 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.01 1rqs h LYS 107 CO 0.00 0.11 0.51 0.87 -2.27 0.00 0.00 179.45 178.67 1rqs h LYS 108 N 0.17 0.79 -0.47 1.90 1.57 -0.86 0.13 116.57 119.81 1rqs h LYS 108 Ca 0.19 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 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 -0.28 0.52 0.26 0.00 -0.57 0.00 0.00 179.45 179.39 1rqs h ALA 109 N 1.50 0.60 -0.62 3.86 0.00 -0.54 0.32 119.26 124.38 1rqs h ALA 109 Ca 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1rqs h ALA 109 Cb 0.47 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1rqs h ALA 109 CO -0.28 0.12 0.37 -0.07 0.00 0.00 0.00 179.25 179.40 1rqs h LEU 110 N 0.62 0.74 -0.76 0.00 -0.00 0.22 -2.48 115.31 113.64 1rqs h LEU 110 Ca 0.17 -0.06 -0.11 0.00 -0.00 0.00 0.00 57.88 57.88 1rqs h LEU 110 Cb 0.05 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.50 1rqs h LEU 110 CO -0.03 0.58 -0.21 -0.33 -0.00 0.00 0.00 178.44 178.46 1rqs h GLU 111 N 0.84 0.71 -0.85 1.13 5.08 -0.17 0.66 114.58 121.98 1rqs h GLU 111 Ca 0.22 -0.27 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1rqs h GLU 111 Cb -0.03 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.13 1rqs h GLU 111 CO -0.04 0.87 0.55 0.93 -1.00 0.00 0.00 179.01 180.32 1rqs h GLU 112 N 0.63 0.88 0.02 2.33 4.39 0.05 -1.01 114.58 121.86 1rqs h GLU 112 Ca 0.09 -0.05 -0.24 0.00 0.34 0.00 0.00 59.36 59.50 1rqs h GLU 112 Cb 0.69 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1rqs h GLU 112 CO 0.05 0.58 -1.18 0.00 -1.16 0.00 0.00 179.01 177.30 1rqs h ALA 113 N 1.55 0.40 0.00 3.43 0.00 -1.07 -3.48 119.26 120.08 1rqs h ALA 113 Ca 0.37 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1rqs h ALA 113 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rqs h ALA 113 CO -0.14 1.28 0.00 0.41 0.00 0.00 0.00 179.25 180.80 1rqs n GLY 114 N 1.42 0.84 3.41 0.00 0.00 0.09 -4.69 105.19 106.25 1rqs n GLY 114 Ca -0.05 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.74 2.20 -0.26 4.61 0.00 -0.39 -4.06 121.76 122.12 1rqs s ALA 115 Ca 0.00 -1.91 -0.09 0.00 0.00 0.00 0.00 51.96 49.96 1rqs s ALA 115 Cb 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1rqs s ALA 115 CO 0.00 -0.20 0.11 -2.00 0.00 0.00 0.00 175.76 173.67 1rqs s GLU 116 N -3.82 3.77 0.33 0.00 2.12 0.30 -4.41 118.70 116.99 1rqs s GLU 116 Ca 0.31 -0.42 0.08 0.00 0.36 0.00 0.00 54.97 55.30 1rqs s GLU 116 Cb 0.06 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 1rqs s GLU 116 CO 0.12 -0.17 0.23 0.08 -0.54 0.00 0.00 175.26 174.98 1rqs s VAL 117 N 1.62 3.38 -0.04 3.70 1.01 -1.26 -2.39 120.40 126.42 1rqs s VAL 117 Ca 0.06 -1.50 0.01 0.00 0.00 0.00 0.00 61.98 60.56 1rqs s VAL 117 Cb -0.15 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.13 1rqs s VAL 117 CO 0.06 -0.19 -0.05 -0.70 0.00 0.00 0.00 175.10 174.22 1rqs s GLU 118 N -3.93 0.82 -0.22 2.72 2.12 0.66 -4.83 118.70 116.04 1rqs s GLU 118 Ca 0.39 -0.12 -0.06 0.00 0.36 0.00 0.00 54.97 55.53 1rqs s GLU 118 Cb -0.05 -0.81 -0.03 0.00 0.26 0.00 0.00 34.13 33.50 1rqs s GLU 118 CO 0.25 -0.05 0.04 0.08 -0.54 0.00 0.00 175.26 175.04 1rqs s VAL 119 N 0.79 4.20 0.00 3.70 1.01 -1.26 -0.63 120.40 128.21 1rqs s VAL 119 Ca -0.11 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1rqs s VAL 119 Cb -0.14 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1rqs s VAL 119 CO 0.00 0.39 0.32 0.29 0.00 0.00 0.00 175.10 176.10