#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 5.80 -1.03 0.00 0.00 -1.26 -4.95 120.51 119.07 1rqs n ALA 48 Ca 0.00 -3.90 -0.29 0.00 0.00 0.00 0.00 53.44 49.25 1rqs n ALA 48 Cb 0.00 -3.43 0.19 0.00 0.00 0.00 0.00 19.45 16.21 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 2.63 0.17 -0.42 0.00 2.02 -1.26 -4.96 118.70 116.88 1rqs s GLU 49 Ca 0.49 0.62 -0.25 0.00 0.02 0.00 0.00 54.97 55.85 1rqs s GLU 49 Cb 0.14 -1.70 0.02 0.00 0.10 0.00 0.00 34.13 32.69 1rqs s GLU 49 CO -0.07 -2.94 0.89 -1.21 0.02 0.00 0.00 175.26 171.95 1rqs s GLU 50 N -4.85 3.63 -0.58 1.61 8.01 -1.26 -4.99 118.70 120.27 1rqs s GLU 50 Ca 0.66 0.26 -0.10 0.00 0.01 0.00 0.00 54.97 55.80 1rqs s GLU 50 Cb -0.20 -3.88 0.15 0.00 -4.31 0.00 0.00 34.13 25.89 1rqs s GLU 50 CO 0.59 -1.08 0.47 0.15 0.01 0.00 0.00 175.26 175.40 1rqs s LYS 51 N 3.53 2.80 -0.06 1.61 1.02 -1.26 -4.81 119.74 122.58 1rqs s LYS 51 Ca 0.36 -2.02 0.09 0.00 0.02 0.00 0.00 55.97 54.42 1rqs s LYS 51 Cb -0.11 -4.06 0.13 0.00 -0.52 0.00 0.00 37.83 33.27 1rqs s LYS 51 CO 0.23 -1.23 1.02 0.25 -0.92 0.00 0.00 175.35 174.69 1rqs n THR 52 N 4.56 1.17 -3.64 2.17 -2.24 -1.26 -4.93 114.28 110.11 1rqs n THR 52 Ca -0.02 -1.35 -0.29 0.00 -2.27 0.00 0.00 64.05 60.12 1rqs n THR 52 Cb 0.41 0.21 -0.14 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.63 0.67 0.04 -0.78 2.02 -1.26 -4.47 118.70 113.29 1rqs s GLU 53 Ca 0.15 -1.17 0.05 0.00 0.02 0.00 0.00 54.97 54.01 1rqs s GLU 53 Cb 0.13 -1.75 -0.04 0.00 0.10 0.00 0.00 34.13 32.58 1rqs s GLU 53 CO 0.01 -1.07 -0.10 -0.06 0.02 0.00 0.00 175.26 174.07 1rqs s PHE 54 N 1.39 2.79 -0.04 1.61 0.40 -1.00 -4.75 117.98 118.37 1rqs s PHE 54 Ca 0.13 -0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1rqs s PHE 54 Cb -0.19 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.77 1rqs s PHE 54 CO -0.18 0.37 -0.04 -0.51 0.70 0.00 0.00 175.22 175.55 1rqs s ASP 55 N -1.67 4.85 -0.26 1.36 1.11 0.53 -0.21 116.67 122.38 1rqs s ASP 55 Ca 0.18 -0.01 -0.02 0.00 0.18 0.00 0.00 52.55 52.88 1rqs s ASP 55 Cb -0.11 -1.24 0.03 0.00 1.07 0.00 0.00 42.92 42.67 1rqs s ASP 55 CO 0.09 0.33 -0.04 -0.69 1.18 0.00 0.00 175.17 176.04 1rqs s VAL 56 N -0.92 2.89 0.02 -1.27 1.01 -0.15 -2.30 120.40 119.69 1rqs s VAL 56 Ca 0.15 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1rqs s VAL 56 Cb -0.11 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1rqs s VAL 56 CO 0.05 0.10 0.02 -0.63 0.00 0.00 0.00 175.10 174.63 1rqs s ILE 57 N 1.30 4.22 -0.33 2.22 -1.09 -0.06 -1.16 121.20 126.29 1rqs s ILE 57 Ca -0.02 -0.67 -0.11 0.00 -2.23 0.00 0.00 60.65 57.62 1rqs s ILE 57 Cb -0.18 -2.92 -0.01 0.00 -1.58 0.00 0.00 42.46 37.77 1rqs s ILE 57 CO -0.03 0.30 0.20 -0.22 -1.23 0.00 0.00 174.94 173.96 1rqs s LEU 58 N -1.79 4.38 -0.16 2.97 2.96 0.95 -1.26 118.68 126.74 1rqs s LEU 58 Ca 0.22 -0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 53.50 1rqs s LEU 58 Cb -0.12 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 1rqs s LEU 58 CO 0.13 -0.23 -0.17 0.29 -1.32 0.00 0.00 176.35 175.04 1rqs n LYS 59 N 5.05 0.48 -4.13 1.98 5.02 -0.98 -1.39 118.16 124.18 1rqs n LYS 59 Ca -0.13 0.48 -0.20 0.00 -2.02 0.00 0.00 58.31 56.43 1rqs n LYS 59 Cb 0.49 -1.65 -0.16 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.72 0.69 0.36 7.82 0.00 -1.05 -4.48 121.76 122.38 1rqs s ALA 60 Ca -0.19 -0.07 0.18 0.00 0.00 0.00 0.00 51.96 51.88 1rqs s ALA 60 Cb 0.03 -0.45 0.97 0.00 0.00 0.00 0.00 23.12 23.66 1rqs s ALA 60 CO 0.29 -0.05 1.91 0.00 0.00 0.00 0.00 175.76 177.91 1rqs h ALA 61 N 7.28 1.34 -0.08 0.00 0.00 -1.90 0.20 119.26 126.10 1rqs h ALA 61 Ca -0.36 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1rqs h ALA 61 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1rqs h ALA 61 CO 0.45 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.45 1rqs n GLY 62 N -0.50 -0.96 1.91 0.00 0.00 -1.26 -3.82 105.19 100.56 1rqs n GLY 62 Ca -0.02 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 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 3.03 5.09 -2.84 4.61 0.00 -1.25 -4.13 120.51 125.02 1rqs n ALA 63 Ca 0.00 -1.92 -0.11 0.00 0.00 0.00 0.00 53.44 51.41 1rqs n ALA 63 Cb 0.00 -1.40 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 -0.03 -1.46 0.24 0.00 2.85 -1.25 -4.95 115.26 110.65 1rqs n ASN 64 Ca 0.36 -3.45 0.08 0.00 -0.11 0.00 0.00 54.58 51.46 1rqs n ASN 64 Cb 0.74 1.21 0.58 0.00 1.24 0.00 0.00 39.78 43.54 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 2.95 0.00 0.54 1.20 3.64 -1.77 -2.00 116.57 121.13 1rqs h LYS 65 Ca -0.06 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1rqs h LYS 65 Cb 1.08 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1rqs h LYS 65 CO 0.22 0.17 -0.26 0.28 -2.27 0.00 0.00 179.45 177.59 1rqs h VAL 66 N 0.00 0.00 -0.83 2.00 2.07 -1.94 0.35 116.25 117.91 1rqs h VAL 66 Ca -0.00 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 67.49 1rqs h VAL 66 Cb 0.34 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.05 1rqs h VAL 66 CO 0.02 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.15 1rqs h ALA 67 N -1.52 1.81 0.85 1.67 0.00 -1.96 -1.23 119.26 118.88 1rqs h ALA 67 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1rqs h ALA 67 Cb 0.55 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1rqs h ALA 67 CO 0.12 -0.00 -0.41 0.28 0.00 0.00 0.00 179.25 179.24 1rqs h VAL 68 N 0.69 0.15 -0.97 0.00 2.07 -1.25 0.83 116.25 117.78 1rqs h VAL 68 Ca 0.39 -0.03 0.23 0.00 0.82 0.00 0.00 66.70 68.11 1rqs h VAL 68 Cb 0.57 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 1rqs h VAL 68 CO -0.16 0.00 0.63 0.40 0.02 0.00 0.00 177.57 178.46 1rqs h ILE 69 N -1.16 0.62 0.11 4.57 2.04 -0.01 0.39 117.51 124.08 1rqs h ILE 69 Ca -0.12 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1rqs h ILE 69 Cb 0.88 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1rqs h ILE 69 CO 0.19 0.08 -0.05 0.11 0.00 0.00 0.00 178.15 178.48 1rqs h LYS 70 N 0.43 -0.15 -0.88 2.37 1.57 -0.75 -1.69 116.57 117.48 1rqs h LYS 70 Ca 0.53 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.39 1rqs h LYS 70 Cb 1.29 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.56 1rqs h LYS 70 CO -0.23 0.16 0.54 0.00 -0.57 0.00 0.00 179.45 179.34 1rqs h ALA 71 N 0.39 1.23 -1.34 3.86 0.00 0.18 0.29 119.26 123.86 1rqs h ALA 71 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rqs h ALA 71 Cb 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1rqs h ALA 71 CO 0.03 0.25 0.00 0.28 0.00 0.00 0.00 179.25 179.81 1rqs n VAL 72 N -4.63 0.00 -0.23 0.00 0.31 0.11 -0.02 118.33 113.86 1rqs n VAL 72 Ca 0.13 1.28 0.27 0.00 -0.01 0.00 0.00 64.34 66.01 1rqs n VAL 72 Cb 0.21 -2.26 0.65 0.00 -0.91 0.00 0.00 33.84 31.54 1rqs n VAL 72 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1rqs h ARG 73 N 0.00 0.14 0.00 5.55 0.11 -1.28 0.63 114.38 119.53 1rqs h ARG 73 Ca 0.00 -0.01 -0.12 0.00 0.10 0.00 0.00 59.98 59.95 1rqs h ARG 73 Cb 0.00 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.03 1rqs h ARG 73 CO 0.00 0.09 -0.57 0.78 0.10 0.00 0.00 179.97 180.37 1rqs h GLY 74 N 0.14 0.00 1.07 0.08 0.00 -0.20 0.88 103.07 105.04 1rqs h GLY 74 Ca 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.72 1rqs h GLY 74 CO -0.08 0.00 -1.14 0.00 0.00 0.00 0.00 176.54 175.32 1rqs h ALA 75 N 1.43 0.60 -0.80 3.60 0.00 0.39 -3.43 119.26 121.05 1rqs h ALA 75 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1rqs h ALA 75 Cb 1.05 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1rqs h ALA 75 CO 0.07 0.46 0.00 0.25 0.00 0.00 0.00 179.25 180.04 1rqs n THR 76 N -2.82 0.00 0.00 0.00 -2.24 0.31 -5.07 114.28 104.47 1rqs n THR 76 Ca -0.04 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1rqs n THR 76 Cb 0.70 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 3.31 1.77 3.78 3.38 0.00 0.30 -5.02 105.19 112.72 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 3.52 0.35 0.99 1.43 -1.26 -4.95 118.68 118.76 1rqs s LEU 78 Ca 0.00 2.02 -0.27 0.00 -1.03 0.00 0.00 54.13 54.85 1rqs s LEU 78 Cb 0.00 -4.56 -0.12 0.00 0.03 0.00 0.00 46.19 41.54 1rqs s LEU 78 CO 0.00 -1.43 1.14 0.61 0.23 0.00 0.00 176.35 176.90 1rqs n GLY 79 N -0.39 0.15 0.30 -3.19 0.00 -1.26 -4.62 105.19 96.19 1rqs n GLY 79 Ca 0.10 0.26 0.11 0.00 0.00 0.00 0.00 46.02 46.50 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 2.10 -0.04 -0.76 0.99 6.46 -1.99 0.70 115.31 122.77 1rqs h LEU 80 Ca -0.44 0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.50 1rqs h LEU 80 Cb 1.31 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 41.47 1rqs h LEU 80 CO 0.60 -0.14 0.45 0.50 -0.62 0.00 0.00 178.44 179.24 1rqs h LYS 81 N 0.21 1.03 -0.55 1.25 3.11 -1.99 0.11 116.57 119.73 1rqs h LYS 81 Ca 0.51 -0.09 -0.06 0.00 -2.81 0.00 0.00 60.65 58.20 1rqs h LYS 81 Cb 1.00 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 31.99 1rqs h LYS 81 CO -0.64 0.73 0.11 0.93 -2.81 0.00 0.00 179.45 177.77 1rqs h GLU 82 N 1.04 0.89 -0.60 1.90 4.39 -0.09 -0.96 114.58 121.14 1rqs h GLU 82 Ca 0.27 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1rqs h GLU 82 Cb -0.03 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 1rqs h GLU 82 CO -0.05 0.85 0.22 0.00 -1.16 0.00 0.00 179.01 178.87 1rqs h ALA 83 N 1.00 0.78 0.38 3.43 0.00 -0.06 0.10 119.26 124.89 1rqs h ALA 83 Ca 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rqs h ALA 83 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1rqs h ALA 83 CO 0.01 0.42 -0.25 -0.22 0.00 0.00 0.00 179.25 179.20 1rqs h LYS 84 N 0.84 -0.59 -0.21 0.00 1.63 -0.47 -0.39 116.57 117.38 1rqs h LYS 84 Ca 0.20 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.07 1rqs h LYS 84 Cb 0.24 0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 1rqs h LYS 84 CO -0.01 -0.39 -0.00 -0.44 -3.45 0.00 0.00 179.45 175.15 1rqs h ASP 85 N -0.61 -0.09 -0.22 4.20 3.32 -1.03 0.90 116.42 122.89 1rqs h ASP 85 Ca -0.04 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.10 1rqs h ASP 85 Cb 0.52 0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.08 1rqs h ASP 85 CO 0.02 -0.02 -0.50 0.25 -1.72 0.00 0.00 179.24 177.28 1rqs h LEU 86 N 0.07 -1.61 -1.00 1.55 5.85 -0.51 0.48 115.31 120.13 1rqs h LEU 86 Ca 0.10 0.21 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1rqs h LEU 86 Cb 0.13 0.65 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 1rqs h LEU 86 CO -0.17 -0.44 0.66 0.58 -0.34 0.00 0.00 178.44 178.72 1rqs h VAL 87 N -0.50 1.18 0.00 1.05 2.07 -0.69 0.99 116.25 120.36 1rqs h VAL 87 Ca 0.07 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1rqs h VAL 87 Cb 0.64 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1rqs h VAL 87 CO -0.48 0.23 0.00 -0.33 0.02 0.00 0.00 177.57 177.02 1rqs h GLU 88 N 1.28 0.00 -0.40 1.57 5.08 0.86 -2.15 114.58 120.82 1rqs h GLU 88 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1rqs h GLU 88 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1rqs h GLU 88 CO -0.12 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.76 1rqs n SER 89 N -2.32 4.64 -4.44 1.42 3.41 0.15 -5.02 113.62 111.46 1rqs n SER 89 Ca 0.03 -2.95 -0.37 0.00 -0.26 0.00 0.00 58.87 55.31 1rqs n SER 89 Cb 0.27 -0.60 0.05 0.00 -0.26 0.00 0.00 64.21 63.67 1rqs n SER 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rqs n ALA 90 N 0.01 -1.48 -1.61 7.33 0.00 -0.81 -4.49 120.51 119.46 1rqs n ALA 90 Ca 0.24 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 1rqs n ALA 90 Cb 1.01 -1.80 0.04 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.28 3.08 0.07 0.00 0.04 -1.26 -5.10 135.00 129.55 1rqs s PRO 91 Ca 0.66 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.74 1rqs s PRO 91 Cb -0.40 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1rqs s PRO 91 CO 0.57 -0.99 -0.06 0.00 0.04 0.00 0.00 177.00 176.56 1rqs s ALA 92 N -2.87 0.77 -0.38 8.56 0.00 -0.49 -4.97 121.76 122.38 1rqs s ALA 92 Ca 0.60 -1.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.23 1rqs s ALA 92 Cb -0.14 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1rqs s ALA 92 CO 0.49 -0.18 0.61 0.00 0.00 0.00 0.00 175.76 176.68 1rqs s ALA 93 N -2.88 3.42 -0.11 0.00 0.00 -1.26 -0.03 121.76 120.91 1rqs s ALA 93 Ca 0.04 -1.02 -0.23 0.00 0.00 0.00 0.00 51.96 50.75 1rqs s ALA 93 Cb 0.00 -3.18 -0.27 0.00 0.00 0.00 0.00 23.12 19.67 1rqs s ALA 93 CO -0.04 -1.46 0.71 -0.07 0.00 0.00 0.00 175.76 174.91 1rqs h LEU 94 N 9.41 0.25 -7.69 0.00 3.38 -1.48 -3.48 115.31 115.70 1rqs h LEU 94 Ca -0.26 -0.90 -0.15 0.00 0.09 0.00 0.00 57.88 56.66 1rqs h LEU 94 Cb 1.11 -0.08 -0.21 0.00 0.09 0.00 0.00 40.66 41.57 1rqs h LEU 94 CO 0.84 1.32 -0.46 -0.54 0.09 0.00 0.00 178.44 179.68 1rqs s LYS 95 N -2.36 0.47 -0.09 1.13 1.02 -0.76 -4.98 119.74 114.17 1rqs s LYS 95 Ca -0.18 -0.29 0.03 0.00 0.02 0.00 0.00 55.97 55.55 1rqs s LYS 95 Cb 0.01 0.20 0.01 0.00 -0.52 0.00 0.00 37.83 37.53 1rqs s LYS 95 CO 0.75 -0.11 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.69 1rqs s GLU 96 N -1.18 2.28 -0.55 1.68 2.02 -1.26 -0.98 118.70 120.71 1rqs s GLU 96 Ca -0.13 -0.61 -0.28 0.00 0.02 0.00 0.00 54.97 53.98 1rqs s GLU 96 Cb -0.06 -1.82 0.04 0.00 0.10 0.00 0.00 34.13 32.39 1rqs s GLU 96 CO 0.02 0.06 0.65 0.41 0.02 0.00 0.00 175.26 176.41 1rqs n GLY 97 N 3.81 -0.28 3.49 -1.39 0.00 -0.95 -4.93 105.19 104.95 1rqs n GLY 97 Ca -0.21 1.03 -0.23 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.92 1.56 0.39 1.61 -7.23 0.71 -4.73 120.40 110.78 1rqs s VAL 98 Ca 0.28 -2.04 -0.28 0.00 -1.81 0.00 0.00 61.98 58.13 1rqs s VAL 98 Cb -0.03 -2.76 -0.11 0.00 0.56 0.00 0.00 36.38 34.04 1rqs s VAL 98 CO 0.88 -0.08 1.49 -0.94 -0.31 0.00 0.00 175.10 176.14 1rqs s SER 99 N -3.54 6.26 0.23 4.85 1.04 -1.26 -2.38 113.70 118.91 1rqs s SER 99 Ca 0.34 3.07 -0.06 0.00 0.48 0.00 0.00 55.95 59.78 1rqs s SER 99 Cb 0.08 -2.67 0.40 0.00 0.10 0.00 0.00 66.02 63.93 1rqs s SER 99 CO 0.15 -0.93 1.74 0.50 0.98 0.00 0.00 173.24 175.68 1rqs h LYS 100 N 2.90 0.44 -0.87 4.02 3.11 -1.93 0.42 116.57 124.67 1rqs h LYS 100 Ca -0.51 -0.03 0.09 0.00 -2.81 0.00 0.00 60.65 57.39 1rqs h LYS 100 Cb 1.24 -0.10 -0.07 0.00 -1.00 0.00 0.00 32.23 32.30 1rqs h LYS 100 CO 0.64 0.29 0.52 -0.44 -2.81 0.00 0.00 179.45 177.65 1rqs h ASP 101 N 0.45 0.77 -0.10 4.20 5.19 -1.99 0.89 116.42 125.84 1rqs h ASP 101 Ca 0.38 0.04 -0.14 0.00 -0.62 0.00 0.00 57.03 56.70 1rqs h ASP 101 Cb 0.54 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1rqs h ASP 101 CO -0.37 0.46 -0.39 0.44 -3.12 0.00 0.00 179.24 176.26 1rqs h ASP 102 N 0.89 0.66 -0.09 6.45 3.32 -1.34 -1.08 116.42 125.23 1rqs h ASP 102 Ca 0.41 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1rqs h ASP 102 Cb 0.31 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1rqs h ASP 102 CO -0.22 0.98 0.04 0.00 -1.72 0.00 0.00 179.24 178.31 1rqs h ALA 103 N 1.05 0.12 0.00 3.45 0.00 0.50 -0.91 119.26 123.47 1rqs h ALA 103 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1rqs h ALA 103 Cb 0.91 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1rqs h ALA 103 CO 0.08 -0.30 -0.16 0.93 0.00 0.00 0.00 179.25 179.80 1rqs h GLU 104 N -0.00 0.00 0.07 0.00 4.39 -0.81 -0.13 114.58 118.10 1rqs h GLU 104 Ca 0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1rqs h GLU 104 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1rqs h GLU 104 CO -0.00 0.16 -0.03 0.00 -1.16 0.00 0.00 179.01 177.97 1rqs h ALA 105 N 1.84 -0.10 -0.35 3.43 0.00 -0.68 -1.61 119.26 121.80 1rqs h ALA 105 Ca -0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1rqs h ALA 105 Cb 0.58 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1rqs h ALA 105 CO 0.02 -0.25 0.03 1.25 0.00 0.00 0.00 179.25 180.30 1rqs h LEU 106 N -0.71 0.58 -0.24 0.00 7.12 -1.03 -2.55 115.31 118.47 1rqs h LEU 106 Ca -0.01 -0.29 0.05 0.00 0.13 0.00 0.00 57.88 57.76 1rqs h LEU 106 Cb 0.58 -0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 40.51 1rqs h LEU 106 CO 0.02 0.72 -0.06 0.50 -0.13 0.00 0.00 178.44 179.49 1rqs h LYS 107 N 0.41 0.00 -0.99 1.25 3.64 -1.09 0.07 116.57 119.87 1rqs h LYS 107 Ca 0.10 -0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.64 1rqs h LYS 107 Cb 0.41 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.13 1rqs h LYS 107 CO 0.01 0.00 0.60 0.87 -2.27 0.00 0.00 179.45 178.67 1rqs h LYS 108 N 0.00 0.82 -0.62 1.90 1.57 -1.14 0.14 116.57 119.25 1rqs h LYS 108 Ca 0.12 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1rqs h LYS 108 Cb 0.17 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1rqs h LYS 108 CO -0.24 0.54 0.04 0.00 -0.57 0.00 0.00 179.45 179.22 1rqs h ALA 109 N 1.59 0.83 -0.25 3.86 0.00 -0.64 0.25 119.26 124.90 1rqs h ALA 109 Ca 0.53 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1rqs h ALA 109 Cb 0.70 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1rqs h ALA 109 CO -0.33 0.64 0.12 -0.07 0.00 0.00 0.00 179.25 179.61 1rqs h LEU 110 N 0.97 0.33 -0.77 0.00 -0.00 0.76 -2.57 115.31 114.03 1rqs h LEU 110 Ca 0.18 -0.13 -0.11 0.00 -0.00 0.00 0.00 57.88 57.81 1rqs h LEU 110 Cb 0.52 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 1rqs h LEU 110 CO 0.02 0.37 -0.29 -0.33 -0.00 0.00 0.00 178.44 178.21 1rqs h GLU 111 N 0.26 0.60 -0.87 1.13 5.08 -0.51 0.15 114.58 120.43 1rqs h GLU 111 Ca 0.08 -0.26 0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1rqs h GLU 111 Cb 0.13 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1rqs h GLU 111 CO -0.01 0.83 0.57 0.93 -1.00 0.00 0.00 179.01 180.32 1rqs h GLU 112 N 0.52 0.96 0.01 2.33 5.08 -0.32 -1.55 114.58 121.61 1rqs h GLU 112 Ca 0.07 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.13 1rqs h GLU 112 Cb 0.76 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1rqs h GLU 112 CO 0.06 0.64 -1.24 0.00 -1.00 0.00 0.00 179.01 177.47 1rqs h ALA 113 N 1.52 0.45 0.00 3.43 0.00 -1.04 -3.49 119.26 120.15 1rqs h ALA 113 Ca 0.37 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1rqs h ALA 113 Cb 0.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rqs h ALA 113 CO -0.13 1.33 0.00 0.41 0.00 0.00 0.00 179.25 180.86 1rqs n GLY 114 N 1.43 0.82 3.34 0.00 0.00 0.34 -4.72 105.19 106.39 1rqs n GLY 114 Ca -0.06 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 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 1.90 -0.27 4.61 0.00 -0.20 -3.86 121.76 122.27 1rqs s ALA 115 Ca 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 51.96 50.14 1rqs s ALA 115 Cb 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1rqs s ALA 115 CO 0.00 -0.08 0.22 -2.00 0.00 0.00 0.00 175.76 173.90 1rqs s GLU 116 N -3.74 3.97 0.35 0.00 2.12 0.71 -4.33 118.70 117.78 1rqs s GLU 116 Ca 0.24 -0.25 0.08 0.00 0.36 0.00 0.00 54.97 55.41 1rqs s GLU 116 Cb 0.03 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1rqs s GLU 116 CO 0.07 -0.18 0.17 0.08 -0.54 0.00 0.00 175.26 174.86 1rqs s VAL 117 N 1.76 2.99 -0.02 3.70 1.01 -1.26 -2.33 120.40 126.26 1rqs s VAL 117 Ca 0.09 -1.65 -0.00 0.00 0.00 0.00 0.00 61.98 60.41 1rqs s VAL 117 Cb -0.16 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.25 1rqs s VAL 117 CO 0.10 -0.16 0.03 -0.70 0.00 0.00 0.00 175.10 174.37 1rqs s GLU 118 N -3.88 -0.03 -0.21 2.72 -6.30 -0.39 -4.84 118.70 105.79 1rqs s GLU 118 Ca 0.39 0.16 -0.03 0.00 -2.50 0.00 0.00 54.97 52.99 1rqs s GLU 118 Cb -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 34.13 33.90 1rqs s GLU 118 CO 0.23 -0.14 -0.08 0.08 0.02 0.00 0.00 175.26 175.38 1rqs s VAL 119 N 0.89 3.10 0.00 3.70 1.01 -1.26 -0.89 120.40 126.96 1rqs s VAL 119 Ca -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1rqs s VAL 119 Cb -0.11 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1rqs s VAL 119 CO -0.03 0.45 0.00 2.29 0.00 0.00 0.00 175.10 177.82