#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 -1.60 -2.18 0.00 0.00 -1.26 -5.06 120.51 110.42 1rqs n ALA 48 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.40 1rqs n ALA 48 Cb 0.00 -3.40 -0.10 0.00 0.00 0.00 0.00 19.45 15.95 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 -3.82 0.92 -0.29 0.00 2.02 -1.26 -5.12 118.70 111.14 1rqs s GLU 49 Ca 0.25 -1.41 -0.25 0.00 0.02 0.00 0.00 54.97 53.58 1rqs s GLU 49 Cb -0.03 -0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.09 1rqs s GLU 49 CO 0.42 -0.11 0.85 -1.21 0.02 0.00 0.00 175.26 175.23 1rqs s GLU 50 N -3.91 4.05 -0.43 1.61 8.01 -1.26 -5.00 118.70 121.78 1rqs s GLU 50 Ca 0.17 0.78 0.02 0.00 0.01 0.00 0.00 54.97 55.96 1rqs s GLU 50 Cb 0.06 -3.70 0.12 0.00 -4.31 0.00 0.00 34.13 26.30 1rqs s GLU 50 CO -0.01 -0.66 0.20 0.15 0.01 0.00 0.00 175.26 174.95 1rqs s LYS 51 N 3.02 1.43 -0.22 1.61 1.02 -1.26 -4.91 119.74 120.43 1rqs s LYS 51 Ca 0.35 -2.04 0.12 0.00 0.02 0.00 0.00 55.97 54.43 1rqs s LYS 51 Cb -0.14 -2.69 0.44 0.00 -0.52 0.00 0.00 37.83 34.92 1rqs s LYS 51 CO 0.11 -1.09 1.32 0.25 -0.92 0.00 0.00 175.35 175.01 1rqs n THR 52 N 3.69 2.28 -3.50 2.17 -2.24 -1.26 -4.88 114.28 110.53 1rqs n THR 52 Ca 0.05 -2.74 -0.28 0.00 -2.27 0.00 0.00 64.05 58.82 1rqs n THR 52 Cb 0.36 -0.27 -0.14 0.00 -2.10 0.00 0.00 70.33 68.18 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 -3.13 0.30 0.13 -0.78 2.02 -1.26 -4.52 118.70 111.46 1rqs s GLU 53 Ca 0.40 -0.70 0.07 0.00 0.02 0.00 0.00 54.97 54.76 1rqs s GLU 53 Cb 0.36 -1.14 -0.04 0.00 0.10 0.00 0.00 34.13 33.41 1rqs s GLU 53 CO -0.01 -1.07 -0.08 -0.06 0.02 0.00 0.00 175.26 174.06 1rqs s PHE 54 N 1.85 2.75 -0.08 1.61 0.40 -1.01 -4.72 117.98 118.78 1rqs s PHE 54 Ca 0.11 -0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.28 1rqs s PHE 54 Cb -0.18 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 1rqs s PHE 54 CO -0.26 0.46 -0.02 -0.51 0.70 0.00 0.00 175.22 175.58 1rqs s ASP 55 N -2.42 5.02 -0.34 1.36 1.11 -0.86 -0.20 116.67 120.35 1rqs s ASP 55 Ca 0.23 0.08 -0.07 0.00 0.18 0.00 0.00 52.55 52.97 1rqs s ASP 55 Cb -0.10 -1.38 0.03 0.00 1.07 0.00 0.00 42.92 42.54 1rqs s ASP 55 CO 0.15 0.37 0.12 -0.69 1.18 0.00 0.00 175.17 176.29 1rqs s VAL 56 N -0.82 3.92 0.05 -1.27 1.01 -0.51 -1.14 120.40 121.64 1rqs s VAL 56 Ca 0.12 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1rqs s VAL 56 Cb -0.11 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1rqs s VAL 56 CO 0.02 -0.15 -0.01 -0.63 0.00 0.00 0.00 175.10 174.34 1rqs s ILE 57 N 1.44 4.03 -0.27 2.22 1.01 0.02 -0.68 121.20 128.97 1rqs s ILE 57 Ca -0.01 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.72 1rqs s ILE 57 Cb -0.19 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 1rqs s ILE 57 CO 0.03 0.22 0.08 -0.22 0.00 0.00 0.00 174.94 175.06 1rqs s LEU 58 N -2.00 3.62 -0.16 2.97 2.96 0.14 -0.71 118.68 125.50 1rqs s LEU 58 Ca 0.23 -0.38 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 1rqs s LEU 58 Cb -0.12 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 1rqs s LEU 58 CO 0.15 -0.10 -0.22 0.29 -1.32 0.00 0.00 176.35 175.15 1rqs n LYS 59 N 4.92 0.49 -3.84 1.98 5.02 -0.96 -2.11 118.16 123.66 1rqs n LYS 59 Ca -0.15 0.41 -0.19 0.00 -2.02 0.00 0.00 58.31 56.36 1rqs n LYS 59 Cb 0.50 -1.60 -0.17 0.00 -0.02 0.00 0.00 35.03 33.74 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 -2.77 0.36 0.36 7.82 0.00 -1.01 -4.39 121.76 122.13 1rqs s ALA 60 Ca -0.21 0.12 0.23 0.00 0.00 0.00 0.00 51.96 52.10 1rqs s ALA 60 Cb 0.03 -0.46 1.18 0.00 0.00 0.00 0.00 23.12 23.87 1rqs s ALA 60 CO 0.32 -0.24 1.97 0.00 0.00 0.00 0.00 175.76 177.82 1rqs h ALA 61 N 7.71 1.29 -0.15 0.00 0.00 -1.92 0.14 119.26 126.33 1rqs h ALA 61 Ca -0.32 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1rqs h ALA 61 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1rqs h ALA 61 CO 0.37 0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1rqs n GLY 62 N -0.53 -0.80 1.97 0.00 0.00 -1.26 -3.80 105.19 100.77 1rqs n GLY 62 Ca -0.02 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 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 3.10 5.27 -2.80 4.61 0.00 -1.25 -4.09 120.51 125.35 1rqs n ALA 63 Ca 0.00 -2.06 -0.10 0.00 0.00 0.00 0.00 53.44 51.28 1rqs n ALA 63 Cb 0.00 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.06 -1.18 0.26 0.00 2.85 -1.25 -4.94 115.26 110.94 1rqs n ASN 64 Ca 0.38 -3.11 0.11 0.00 -0.11 0.00 0.00 54.58 51.85 1rqs n ASN 64 Cb 0.69 0.91 0.71 0.00 1.24 0.00 0.00 39.78 43.34 1rqs n ASN 64 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1rqs h LYS 65 N 2.72 0.00 0.42 1.20 3.64 -1.76 -1.65 116.57 121.14 1rqs h LYS 65 Ca -0.11 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1rqs h LYS 65 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1rqs h LYS 65 CO 0.19 0.10 -0.20 0.28 -2.27 0.00 0.00 179.45 177.54 1rqs h VAL 66 N 0.00 0.52 -0.65 2.00 2.07 -1.94 0.66 116.25 118.90 1rqs h VAL 66 Ca -0.00 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1rqs h VAL 66 Cb 0.22 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1rqs h VAL 66 CO 0.01 0.07 0.34 0.00 0.02 0.00 0.00 177.57 178.01 1rqs h ALA 67 N -0.42 0.84 0.69 1.67 0.00 -1.92 -2.29 119.26 117.83 1rqs h ALA 67 Ca -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1rqs h ALA 67 Cb 0.55 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1rqs h ALA 67 CO 0.10 0.38 -0.45 0.28 0.00 0.00 0.00 179.25 179.55 1rqs h VAL 68 N 0.90 0.09 -1.01 0.00 2.07 -1.25 0.59 116.25 117.64 1rqs h VAL 68 Ca 0.23 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.00 1rqs h VAL 68 Cb 0.08 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 29.85 1rqs h VAL 68 CO -0.03 0.00 0.65 0.40 0.02 0.00 0.00 177.57 178.61 1rqs h ILE 69 N -1.09 0.57 0.13 4.57 2.04 -0.73 0.36 117.51 123.37 1rqs h ILE 69 Ca -0.09 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1rqs h ILE 69 Cb 0.88 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1rqs h ILE 69 CO 0.07 0.07 -0.06 0.11 0.00 0.00 0.00 178.15 178.34 1rqs h LYS 70 N 0.40 -0.17 -0.89 2.37 1.57 -0.79 0.03 116.57 119.08 1rqs h LYS 70 Ca 0.56 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.46 1rqs h LYS 70 Cb 1.41 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.68 1rqs h LYS 70 CO -0.25 0.16 0.52 0.00 -0.57 0.00 0.00 179.45 179.31 1rqs h ALA 71 N 0.30 1.32 -0.20 3.86 0.00 0.18 0.18 119.26 124.90 1rqs h ALA 71 Ca -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1rqs h ALA 71 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1rqs h ALA 71 CO 0.03 0.11 0.06 0.28 0.00 0.00 0.00 179.25 179.72 1rqs h VAL 72 N 0.83 1.20 -0.79 0.00 2.07 -0.39 0.54 116.25 119.72 1rqs h VAL 72 Ca 0.45 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1rqs h VAL 72 Cb 0.47 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1rqs h VAL 72 CO -0.28 0.19 0.47 -0.09 0.02 0.00 0.00 177.57 177.88 1rqs h ARG 73 N 0.15 1.07 -0.03 1.57 1.12 0.28 0.11 114.38 118.64 1rqs h ARG 73 Ca 0.06 -0.10 -0.14 0.00 -1.11 0.00 0.00 59.98 58.70 1rqs h ARG 73 Cb 0.25 -0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 29.97 1rqs h ARG 73 CO -0.00 0.76 -0.63 0.78 -3.11 0.00 0.00 179.97 177.77 1rqs h GLY 74 N 1.11 0.13 2.00 2.80 0.00 -0.43 0.49 103.07 109.18 1rqs h GLY 74 Ca 0.28 -0.17 -0.19 0.00 0.00 0.00 0.00 47.33 47.24 1rqs h GLY 74 CO -0.05 0.16 -0.92 0.00 0.00 0.00 0.00 176.54 175.73 1rqs h ALA 75 N 1.27 0.49 -1.65 3.60 0.00 0.09 -3.42 119.26 119.64 1rqs h ALA 75 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1rqs h ALA 75 Cb 1.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1rqs h ALA 75 CO 0.09 1.14 0.00 0.25 0.00 0.00 0.00 179.25 180.73 1rqs n THR 76 N -3.45 0.00 0.00 0.00 -2.24 0.28 -5.07 114.28 103.79 1rqs n THR 76 Ca -0.00 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1rqs n THR 76 Cb 0.87 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 3.70 1.84 3.77 3.38 0.00 0.17 -5.01 105.19 113.05 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 3.37 0.44 0.99 1.43 -1.26 -4.95 118.68 118.70 1rqs s LEU 78 Ca 0.00 1.98 -0.24 0.00 -1.03 0.00 0.00 54.13 54.84 1rqs s LEU 78 Cb 0.00 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.57 1rqs s LEU 78 CO 0.00 -1.62 1.02 0.61 0.23 0.00 0.00 176.35 176.58 1rqs n GLY 79 N -0.60 -0.19 0.35 -3.19 0.00 -1.26 -4.54 105.19 95.76 1rqs n GLY 79 Ca 0.10 0.12 0.13 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 1.47 -0.59 0.24 0.99 6.46 -1.99 0.22 115.31 122.12 1rqs h LEU 80 Ca -0.45 0.29 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 1rqs h LEU 80 Cb 1.34 0.52 0.00 0.00 -0.73 0.00 0.00 40.66 41.79 1rqs h LEU 80 CO 0.56 -0.35 -0.12 0.50 -0.62 0.00 0.00 178.44 178.41 1rqs h LYS 81 N 0.00 -0.32 -0.99 1.25 1.63 -1.99 0.65 116.57 116.81 1rqs h LYS 81 Ca 0.57 0.02 0.23 0.00 -0.85 0.00 0.00 60.65 60.63 1rqs h LYS 81 Cb 1.13 0.07 -0.19 0.00 -0.60 0.00 0.00 32.23 32.64 1rqs h LYS 81 CO -0.95 -0.22 -0.12 0.93 -3.45 0.00 0.00 179.45 175.64 1rqs h GLU 82 N -0.34 0.00 -0.26 1.90 4.39 -1.35 0.83 114.58 119.76 1rqs h GLU 82 Ca -0.03 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1rqs h GLU 82 Cb 0.26 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1rqs h GLU 82 CO 0.05 0.00 0.15 0.00 -1.16 0.00 0.00 179.01 178.05 1rqs h ALA 83 N 1.98 0.33 0.09 3.43 0.00 -0.52 0.31 119.26 124.88 1rqs h ALA 83 Ca 0.53 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.41 1rqs h ALA 83 Cb 0.96 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1rqs h ALA 83 CO -0.97 -0.16 -0.24 -0.22 0.00 0.00 0.00 179.25 177.66 1rqs h LYS 84 N 0.31 -0.41 -0.46 0.00 1.63 0.29 -1.61 116.57 116.32 1rqs h LYS 84 Ca 0.09 0.03 0.08 0.00 -0.85 0.00 0.00 60.65 60.00 1rqs h LYS 84 Cb 0.03 0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 31.69 1rqs h LYS 84 CO -0.02 -0.28 0.09 -0.44 -3.45 0.00 0.00 179.45 175.35 1rqs h ASP 85 N -0.43 -0.01 -0.25 4.20 5.19 -0.47 0.14 116.42 124.80 1rqs h ASP 85 Ca 0.04 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.57 1rqs h ASP 85 Cb 0.47 0.12 -0.07 0.00 0.18 0.00 0.00 39.33 40.03 1rqs h ASP 85 CO -0.16 0.03 -0.52 0.25 -3.12 0.00 0.00 179.24 175.72 1rqs h LEU 86 N 0.22 -1.69 -1.03 1.55 6.46 -0.24 0.58 115.31 121.15 1rqs h LEU 86 Ca 0.23 0.21 0.03 0.00 -0.12 0.00 0.00 57.88 58.23 1rqs h LEU 86 Cb 0.30 0.68 -0.05 0.00 -0.73 0.00 0.00 40.66 40.85 1rqs h LEU 86 CO -0.30 -0.42 0.65 0.58 -0.62 0.00 0.00 178.44 178.32 1rqs h VAL 87 N -0.47 1.21 0.00 1.05 2.07 -0.70 0.41 116.25 119.82 1rqs h VAL 87 Ca 0.05 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1rqs h VAL 87 Cb 0.61 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1rqs h VAL 87 CO -0.48 0.23 0.00 -0.62 0.02 0.00 0.00 177.57 176.72 1rqs n GLU 88 N -4.42 0.21 -0.77 1.57 -0.58 0.44 -1.86 120.64 115.23 1rqs n GLU 88 Ca 0.13 0.42 0.03 0.00 -0.42 0.00 0.00 57.16 57.31 1rqs n GLU 88 Cb 0.06 -1.89 0.31 0.00 -0.57 0.00 0.00 31.44 29.35 1rqs n GLU 88 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1rqs n SER 89 N -2.28 4.53 -4.74 1.62 3.41 0.19 -5.00 113.62 111.35 1rqs n SER 89 Ca 0.02 -3.13 -0.36 0.00 -0.26 0.00 0.00 58.87 55.14 1rqs n SER 89 Cb 0.25 -0.65 0.05 0.00 -0.26 0.00 0.00 64.21 63.59 1rqs n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rqs s ALA 90 N -2.91 2.46 0.63 7.33 0.00 -0.77 -4.23 121.76 124.27 1rqs s ALA 90 Ca 0.50 1.06 -0.14 0.00 0.00 0.00 0.00 51.96 53.38 1rqs s ALA 90 Cb 0.40 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 1rqs s ALA 90 CO 0.11 -1.36 1.05 -1.25 0.00 0.00 0.00 175.76 174.32 1rqs s PRO 91 N -3.40 3.21 -0.04 0.00 0.04 -1.26 -5.09 135.00 128.46 1rqs s PRO 91 Ca 0.79 1.09 -0.29 0.00 0.04 0.00 0.00 61.00 62.63 1rqs s PRO 91 Cb -0.32 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.26 1rqs s PRO 91 CO 0.36 -0.89 0.63 0.00 0.04 0.00 0.00 177.00 177.14 1rqs s ALA 92 N -2.70 -1.63 0.25 8.56 0.00 -0.90 -5.00 121.76 120.35 1rqs s ALA 92 Ca 0.61 1.17 -0.30 0.00 0.00 0.00 0.00 51.96 53.44 1rqs s ALA 92 Cb -0.15 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.90 1rqs s ALA 92 CO 0.44 -0.36 0.98 0.00 0.00 0.00 0.00 175.76 176.82 1rqs s ALA 93 N -1.25 3.36 -0.14 0.00 0.00 -1.26 -0.69 121.76 121.78 1rqs s ALA 93 Ca -0.11 0.69 0.05 0.00 0.00 0.00 0.00 51.96 52.59 1rqs s ALA 93 Cb -0.01 -3.24 -0.12 0.00 0.00 0.00 0.00 23.12 19.75 1rqs s ALA 93 CO 0.09 0.11 -0.07 1.28 0.00 0.00 0.00 175.76 177.17 1rqs n LEU 94 N 1.40 1.93 -3.84 0.00 4.32 0.14 -4.90 117.00 116.05 1rqs n LEU 94 Ca -0.02 -0.05 -0.12 0.00 -0.02 0.00 0.00 56.01 55.80 1rqs n LEU 94 Cb 0.46 -0.25 -0.10 0.00 -1.62 0.00 0.00 43.42 41.92 1rqs n LEU 94 CO 0.51 0.60 -0.13 -0.54 -1.22 0.00 0.00 177.39 176.61 1rqs s LYS 95 N -2.31 0.49 -0.09 3.23 1.02 -0.99 -4.99 119.74 116.11 1rqs s LYS 95 Ca -0.16 -0.29 0.02 0.00 0.02 0.00 0.00 55.97 55.56 1rqs s LYS 95 Cb 0.05 0.21 0.01 0.00 -0.52 0.00 0.00 37.83 37.58 1rqs s LYS 95 CO 0.41 -0.12 -0.15 -1.21 -0.92 0.00 0.00 175.35 173.36 1rqs s GLU 96 N -1.22 2.09 -0.90 1.68 2.02 -1.26 -1.43 118.70 119.68 1rqs s GLU 96 Ca -0.13 -0.53 -0.07 0.00 0.02 0.00 0.00 54.97 54.26 1rqs s GLU 96 Cb -0.07 -1.73 -0.01 0.00 0.10 0.00 0.00 34.13 32.42 1rqs s GLU 96 CO 0.02 -0.00 0.72 0.41 0.02 0.00 0.00 175.26 176.43 1rqs n GLY 97 N 3.99 -1.18 3.66 -1.39 0.00 -0.89 -4.95 105.19 104.42 1rqs n GLY 97 Ca -0.20 0.51 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.16 3.36 0.37 1.61 -7.23 0.73 -4.73 120.40 111.35 1rqs s VAL 98 Ca 0.17 -1.89 -0.27 0.00 -1.81 0.00 0.00 61.98 58.18 1rqs s VAL 98 Cb -0.05 -2.86 -0.11 0.00 0.56 0.00 0.00 36.38 33.91 1rqs s VAL 98 CO 0.82 -0.34 1.37 -1.54 -0.31 0.00 0.00 175.10 175.09 1rqs n SER 99 N -0.93 3.13 -0.20 4.85 3.41 -1.26 -2.39 113.62 120.23 1rqs n SER 99 Ca -0.06 1.19 -0.01 0.00 -0.26 0.00 0.00 58.87 59.73 1rqs n SER 99 Cb 0.59 -1.54 0.10 0.00 -0.26 0.00 0.00 64.21 63.10 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 2.60 0.44 -0.96 4.33 3.11 -1.94 -0.10 116.57 124.05 1rqs h LYS 100 Ca -0.48 -0.03 0.10 0.00 -2.81 0.00 0.00 60.65 57.43 1rqs h LYS 100 Cb 1.27 -0.10 -0.08 0.00 -1.00 0.00 0.00 32.23 32.32 1rqs h LYS 100 CO 0.62 0.29 0.60 -0.44 -2.81 0.00 0.00 179.45 177.71 1rqs h ASP 101 N 0.45 0.89 0.22 4.20 5.19 -1.99 0.25 116.42 125.63 1rqs h ASP 101 Ca 0.29 0.04 -0.16 0.00 -0.62 0.00 0.00 57.03 56.58 1rqs h ASP 101 Cb 0.31 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1rqs h ASP 101 CO -0.26 0.50 -0.63 0.44 -3.12 0.00 0.00 179.24 176.17 1rqs h ASP 102 N 0.98 0.45 0.01 6.45 3.32 -1.52 -0.24 116.42 125.88 1rqs h ASP 102 Ca 0.46 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1rqs h ASP 102 Cb 0.39 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1rqs h ASP 102 CO -0.24 0.97 -0.00 0.00 -1.72 0.00 0.00 179.24 178.24 1rqs h ALA 103 N 1.04 -0.01 0.00 3.45 0.00 0.82 -2.55 119.26 122.01 1rqs h ALA 103 Ca -0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1rqs h ALA 103 Cb 1.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1rqs h ALA 103 CO 0.11 -0.35 -0.51 1.49 0.00 0.00 0.00 179.25 179.99 1rqs h GLU 104 N -0.31 0.00 0.16 0.00 4.81 -0.59 -1.15 114.58 117.50 1rqs h GLU 104 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1rqs h GLU 104 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1rqs h GLU 104 CO 0.00 0.51 -0.08 0.00 -0.73 0.00 0.00 179.01 178.71 1rqs h ALA 105 N 1.49 -0.22 -0.34 2.92 0.00 -0.95 0.20 119.26 122.37 1rqs h ALA 105 Ca -0.01 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1rqs h ALA 105 Cb 0.95 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1rqs h ALA 105 CO 0.07 -0.50 -0.39 1.25 0.00 0.00 0.00 179.25 179.67 1rqs h LEU 106 N -0.46 0.87 -0.21 0.00 5.85 -1.43 -2.84 115.31 117.10 1rqs h LEU 106 Ca -0.02 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.34 1rqs h LEU 106 Cb 0.36 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1rqs h LEU 106 CO 0.04 1.16 -0.04 0.50 -0.34 0.00 0.00 178.44 179.75 1rqs h LYS 107 N 0.67 0.01 -0.74 1.25 3.64 -1.09 0.43 116.57 120.73 1rqs h LYS 107 Ca 0.06 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.54 1rqs h LYS 107 Cb 0.95 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.69 1rqs h LYS 107 CO 0.09 0.01 0.37 0.87 -2.27 0.00 0.00 179.45 178.52 1rqs h LYS 108 N 0.01 0.60 -0.59 1.90 1.57 -0.85 0.40 116.57 119.61 1rqs h LYS 108 Ca 0.10 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1rqs h LYS 108 Cb 0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1rqs h LYS 108 CO -0.21 0.40 -0.01 0.00 -0.57 0.00 0.00 179.45 179.06 1rqs h ALA 109 N 1.46 0.79 -0.59 3.86 0.00 -1.02 0.24 119.26 124.00 1rqs h ALA 109 Ca 0.37 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1rqs h ALA 109 Cb 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1rqs h ALA 109 CO -0.29 0.63 0.18 -0.07 0.00 0.00 0.00 179.25 179.71 1rqs h LEU 110 N 0.93 0.86 -0.51 0.00 3.38 0.18 -2.17 115.31 117.98 1rqs h LEU 110 Ca 0.16 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1rqs h LEU 110 Cb 0.57 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1rqs h LEU 110 CO 0.03 0.84 -0.27 -0.33 0.09 0.00 0.00 178.44 178.80 1rqs h GLU 111 N 0.83 0.93 -0.72 1.13 4.39 -0.09 -0.51 114.58 120.53 1rqs h GLU 111 Ca 0.19 -0.42 0.11 0.00 0.34 0.00 0.00 59.36 59.58 1rqs h GLU 111 Cb 0.29 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 1rqs h GLU 111 CO -0.01 1.08 0.48 0.93 -1.16 0.00 0.00 179.01 180.33 1rqs h GLU 112 N 0.79 0.54 0.09 2.33 4.39 -0.60 -0.58 114.58 121.54 1rqs h GLU 112 Ca 0.09 -0.03 -0.26 0.00 0.34 0.00 0.00 59.36 59.50 1rqs h GLU 112 Cb 0.84 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1rqs h GLU 112 CO 0.07 0.36 -1.21 0.00 -1.16 0.00 0.00 179.01 177.07 1rqs h ALA 113 N 1.64 0.21 0.00 3.43 0.00 -0.98 -3.48 119.26 120.07 1rqs h ALA 113 Ca 0.34 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1rqs h ALA 113 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1rqs h ALA 113 CO -0.12 1.09 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1rqs n GLY 114 N 1.49 0.74 3.23 0.00 0.00 -0.22 -4.73 105.19 105.70 1rqs n GLY 114 Ca -0.07 -0.69 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.35 1.43 -0.28 4.61 0.00 -0.68 -3.95 121.76 121.53 1rqs s ALA 115 Ca 0.00 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 50.58 1rqs s ALA 115 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1rqs s ALA 115 CO 0.00 0.09 0.24 -2.00 0.00 0.00 0.00 175.76 174.09 1rqs s GLU 116 N -2.63 3.93 0.02 0.00 2.56 0.48 -4.34 118.70 118.72 1rqs s GLU 116 Ca 0.08 -0.25 0.08 0.00 0.00 0.00 0.00 54.97 54.88 1rqs s GLU 116 Cb -0.05 -3.67 -0.02 0.00 2.00 0.00 0.00 34.13 32.39 1rqs s GLU 116 CO 0.03 -0.23 -0.25 0.08 -0.56 0.00 0.00 175.26 174.33 1rqs s VAL 117 N 1.84 1.98 -0.14 3.70 1.01 -1.26 -2.25 120.40 125.28 1rqs s VAL 117 Ca 0.09 -1.22 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 1rqs s VAL 117 Cb -0.16 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1rqs s VAL 117 CO 0.11 0.42 -0.02 -0.70 0.00 0.00 0.00 175.10 174.91 1rqs s GLU 118 N -0.95 3.49 -0.20 2.72 2.12 0.11 -4.94 118.70 121.05 1rqs s GLU 118 Ca 0.10 -0.47 -0.06 0.00 0.36 0.00 0.00 54.97 54.90 1rqs s GLU 118 Cb -0.10 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.37 1rqs s GLU 118 CO 0.01 0.38 0.02 0.08 -0.54 0.00 0.00 175.26 175.21 1rqs s VAL 119 N -0.01 4.12 -0.19 3.70 1.01 -1.26 -0.80 120.40 126.97 1rqs s VAL 119 Ca 0.02 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1rqs s VAL 119 Cb -0.13 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.39 1rqs s VAL 119 CO 0.02 0.42 0.55 1.17 0.00 0.00 0.00 175.10 177.26