#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 5.41 -2.74 0.00 0.00 -1.26 -4.95 120.51 116.97 1rqs n ALA 48 Ca 0.00 -4.29 -0.27 0.00 0.00 0.00 0.00 53.44 48.88 1rqs n ALA 48 Cb 0.00 -3.01 -0.06 0.00 0.00 0.00 0.00 19.45 16.37 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 0.52 2.68 -0.28 0.00 2.02 -1.26 -5.10 118.70 117.28 1rqs s GLU 49 Ca 0.40 -0.96 -0.07 0.00 0.02 0.00 0.00 54.97 54.36 1rqs s GLU 49 Cb 0.10 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.81 1rqs s GLU 49 CO -0.00 0.48 0.07 -1.21 0.02 0.00 0.00 175.26 174.62 1rqs s GLU 50 N -2.98 3.23 -0.53 1.61 2.02 -1.26 -4.99 118.70 115.79 1rqs s GLU 50 Ca 0.29 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.59 1rqs s GLU 50 Cb -0.10 -3.34 0.32 0.00 0.10 0.00 0.00 34.13 31.11 1rqs s GLU 50 CO 0.21 -0.38 0.85 0.36 0.02 0.00 0.00 175.26 176.32 1rqs n LYS 51 N 4.88 2.47 -1.64 1.61 0.00 -1.26 -4.79 118.16 119.42 1rqs n LYS 51 Ca -0.15 -4.40 -0.01 0.00 -0.00 0.00 0.00 58.31 53.75 1rqs n LYS 51 Cb 0.49 -2.06 0.08 0.00 -0.00 0.00 0.00 35.03 33.54 1rqs n LYS 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1rqs n THR 52 N 0.12 1.33 -3.90 0.58 -2.24 -1.26 -4.73 114.28 104.18 1rqs n THR 52 Ca 0.29 -2.60 -0.34 0.00 -2.27 0.00 0.00 64.05 59.12 1rqs n THR 52 Cb 0.46 0.35 -0.13 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.35 2.12 -0.06 -0.78 2.02 -1.26 -3.50 118.70 114.89 1rqs s GLU 53 Ca 0.37 -1.55 -0.06 0.00 0.02 0.00 0.00 54.97 53.75 1rqs s GLU 53 Cb 0.37 -3.29 0.02 0.00 0.10 0.00 0.00 34.13 31.33 1rqs s GLU 53 CO -0.08 -0.81 0.17 -0.06 0.02 0.00 0.00 175.26 174.50 1rqs s PHE 54 N 1.15 -0.19 -0.13 1.61 0.40 -0.78 -4.87 117.98 115.18 1rqs s PHE 54 Ca 0.01 0.46 -0.03 0.00 -0.60 0.00 0.00 56.93 56.77 1rqs s PHE 54 Cb -0.21 0.05 -0.03 0.00 0.51 0.00 0.00 43.02 43.34 1rqs s PHE 54 CO -0.04 -0.10 -0.01 -0.51 0.70 0.00 0.00 175.22 175.27 1rqs s ASP 55 N 0.22 5.11 -0.33 1.36 1.11 0.32 -0.48 116.67 123.99 1rqs s ASP 55 Ca -0.01 0.02 -0.07 0.00 0.18 0.00 0.00 52.55 52.67 1rqs s ASP 55 Cb -0.02 -1.66 0.03 0.00 1.07 0.00 0.00 42.92 42.34 1rqs s ASP 55 CO -0.01 0.27 0.11 -0.69 1.18 0.00 0.00 175.17 176.03 1rqs s VAL 56 N -0.21 3.98 0.05 -1.27 1.01 -0.60 -1.13 120.40 122.24 1rqs s VAL 56 Ca 0.05 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1rqs s VAL 56 Cb -0.13 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1rqs s VAL 56 CO 0.02 -0.10 0.03 -0.63 0.00 0.00 0.00 175.10 174.42 1rqs s ILE 57 N 1.46 4.25 -0.34 2.22 1.01 -0.06 -0.10 121.20 129.64 1rqs s ILE 57 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 1rqs s ILE 57 Cb -0.19 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.30 1rqs s ILE 57 CO 0.03 0.22 0.18 -0.22 0.00 0.00 0.00 174.94 175.15 1rqs s LEU 58 N -2.06 4.37 -0.15 2.97 1.98 0.46 -0.62 118.68 125.64 1rqs s LEU 58 Ca 0.25 -0.73 -0.11 0.00 -2.89 0.00 0.00 54.13 50.65 1rqs s LEU 58 Cb -0.12 -2.01 -0.06 0.00 0.66 0.00 0.00 46.19 44.66 1rqs s LEU 58 CO 0.17 -0.28 -0.03 0.11 -1.89 0.00 0.00 176.35 174.43 1rqs h LYS 59 N 8.39 0.00 -3.50 1.98 1.57 -1.74 -2.16 116.57 121.11 1rqs h LYS 59 Ca -0.29 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.15 1rqs h LYS 59 Cb 1.13 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.08 1rqs h LYS 59 CO 0.64 0.22 -0.74 0.00 -0.57 0.00 0.00 179.45 179.00 1rqs s ALA 60 N -2.61 0.20 0.40 3.86 0.00 -1.05 -4.40 121.76 118.16 1rqs s ALA 60 Ca -0.15 0.23 0.26 0.00 0.00 0.00 0.00 51.96 52.30 1rqs s ALA 60 Cb 0.02 -0.40 1.36 0.00 0.00 0.00 0.00 23.12 24.11 1rqs s ALA 60 CO 0.27 -0.23 2.05 0.00 0.00 0.00 0.00 175.76 177.84 1rqs h ALA 61 N 7.68 1.31 -0.23 0.00 0.00 -1.89 0.19 119.26 126.31 1rqs h ALA 61 Ca -0.34 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.45 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 0.37 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.20 1rqs n GLY 62 N -0.67 -0.66 1.91 0.00 0.00 -1.26 -3.68 105.19 100.83 1rqs n GLY 62 Ca -0.02 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 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 2.99 5.11 -2.80 4.61 0.00 -1.26 -4.07 120.51 125.08 1rqs n ALA 63 Ca 0.00 -1.83 -0.10 0.00 0.00 0.00 0.00 53.44 51.51 1rqs n ALA 63 Cb 0.00 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.12 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 0.11 -0.88 0.25 0.00 2.85 -1.24 -4.94 115.26 111.41 1rqs n ASN 64 Ca 0.34 -3.03 0.09 0.00 -0.11 0.00 0.00 54.58 51.87 1rqs n ASN 64 Cb 0.67 0.70 0.66 0.00 1.24 0.00 0.00 39.78 43.05 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 0.78 1.20 3.64 -1.76 -1.73 116.57 121.42 1rqs h LYS 65 Ca -0.11 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 1rqs h LYS 65 Cb 1.14 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1rqs h LYS 65 CO 0.22 0.00 -0.37 0.28 -2.27 0.00 0.00 179.45 177.30 1rqs h VAL 66 N 0.00 0.00 -0.81 2.00 2.07 -1.94 0.62 116.25 118.20 1rqs h VAL 66 Ca 0.01 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.43 1rqs h VAL 66 Cb 0.05 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.74 1rqs h VAL 66 CO -0.00 0.00 0.45 0.00 0.02 0.00 0.00 177.57 178.04 1rqs h ALA 67 N -1.32 1.15 0.70 1.67 0.00 -1.91 -1.12 119.26 118.43 1rqs h ALA 67 Ca -0.11 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1rqs h ALA 67 Cb 0.80 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1rqs h ALA 67 CO 0.18 0.06 -0.46 0.28 0.00 0.00 0.00 179.25 179.30 1rqs h VAL 68 N 0.75 0.00 -1.02 0.00 2.07 -1.22 0.12 116.25 116.95 1rqs h VAL 68 Ca 0.40 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.17 1rqs h VAL 68 Cb 0.39 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.07 1rqs h VAL 68 CO -0.26 0.00 0.66 0.40 0.02 0.00 0.00 177.57 178.39 1rqs h ILE 69 N -1.09 0.56 0.28 4.57 2.04 -0.35 0.36 117.51 123.88 1rqs h ILE 69 Ca -0.09 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1rqs h ILE 69 Cb 0.89 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 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 0.42 -0.36 -0.82 2.37 1.57 -0.54 -0.85 116.57 118.35 1rqs h LYS 70 Ca 0.58 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.49 1rqs h LYS 70 Cb 1.42 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.73 1rqs h LYS 70 CO -0.29 -0.07 0.45 0.00 -0.57 0.00 0.00 179.45 178.97 1rqs h ALA 71 N -0.03 1.19 -0.22 3.86 0.00 0.20 0.25 119.26 124.51 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 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rqs h ALA 71 CO 0.06 0.04 0.00 0.28 0.00 0.00 0.00 179.25 179.63 1rqs n VAL 72 N -4.78 0.00 -0.35 0.00 0.31 0.96 0.00 118.33 114.47 1rqs n VAL 72 Ca 0.14 1.46 0.30 0.00 -0.01 0.00 0.00 64.34 66.24 1rqs n VAL 72 Cb 0.32 -2.44 0.63 0.00 -0.91 0.00 0.00 33.84 31.44 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 0.18 -0.09 5.55 2.43 -0.98 0.83 114.38 122.30 1rqs h ARG 73 Ca 0.00 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 1rqs h ARG 73 Cb 0.00 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1rqs h ARG 73 CO 0.00 0.12 -0.64 0.78 -1.51 0.00 0.00 179.97 178.71 1rqs h GLY 74 N 0.18 0.39 1.47 2.80 0.00 -0.16 0.50 103.07 108.24 1rqs h GLY 74 Ca 0.62 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 1rqs h GLY 74 CO -0.18 0.45 -0.75 0.00 0.00 0.00 0.00 176.54 176.05 1rqs h ALA 75 N 1.06 0.69 -1.88 3.60 0.00 0.43 -3.43 119.26 119.73 1rqs h ALA 75 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1rqs h ALA 75 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1rqs h ALA 75 CO 0.11 0.38 0.00 0.25 0.00 0.00 0.00 179.25 179.99 1rqs n THR 76 N -2.96 0.00 0.00 0.00 -2.24 0.99 -5.07 114.28 105.00 1rqs n THR 76 Ca -0.01 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1rqs n THR 76 Cb 0.66 -0.72 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 3.69 1.90 3.77 3.38 0.00 0.17 -5.01 105.19 113.09 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 3.42 0.44 0.99 1.43 -1.26 -4.95 118.68 118.74 1rqs s LEU 78 Ca 0.00 2.01 -0.24 0.00 -1.03 0.00 0.00 54.13 54.88 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 -1.59 1.02 0.61 0.23 0.00 0.00 176.35 176.62 1rqs n GLY 79 N -0.47 -0.17 0.35 -3.19 0.00 -1.26 -4.56 105.19 95.88 1rqs n GLY 79 Ca 0.10 0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 1.48 -0.68 0.36 0.99 6.46 -1.99 0.18 115.31 122.11 1rqs h LEU 80 Ca -0.45 0.28 -0.02 0.00 -0.12 0.00 0.00 57.88 57.58 1rqs h LEU 80 Cb 1.34 0.54 0.00 0.00 -0.73 0.00 0.00 40.66 41.81 1rqs h LEU 80 CO 0.56 -0.34 -0.18 0.50 -0.62 0.00 0.00 178.44 178.37 1rqs h LYS 81 N 0.01 -0.47 -0.95 1.25 3.64 -1.99 -0.28 116.57 117.78 1rqs h LYS 81 Ca 0.53 0.03 0.23 0.00 -1.27 0.00 0.00 60.65 60.18 1rqs h LYS 81 Cb 0.98 0.11 -0.18 0.00 -0.41 0.00 0.00 32.23 32.73 1rqs h LYS 81 CO -0.96 -0.32 -0.08 0.93 -2.27 0.00 0.00 179.45 176.76 1rqs h GLU 82 N -0.49 0.02 -0.26 1.90 4.39 -1.37 0.79 114.58 119.55 1rqs h GLU 82 Ca -0.05 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1rqs h GLU 82 Cb 0.38 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1rqs h GLU 82 CO 0.08 0.01 0.15 0.00 -1.16 0.00 0.00 179.01 178.09 1rqs h ALA 83 N 1.94 0.34 0.22 3.43 0.00 -0.61 -0.00 119.26 124.57 1rqs h ALA 83 Ca 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1rqs h ALA 83 Cb 0.97 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1rqs h ALA 83 CO -0.92 -0.14 -0.24 -0.22 0.00 0.00 0.00 179.25 177.73 1rqs h LYS 84 N 0.32 -0.48 -0.73 0.00 3.64 0.23 -1.71 116.57 117.83 1rqs h LYS 84 Ca 0.09 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.62 1rqs h LYS 84 Cb 0.05 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 31.90 1rqs h LYS 84 CO -0.02 -0.32 0.32 -0.44 -2.27 0.00 0.00 179.45 176.72 1rqs h ASP 85 N -0.50 0.35 -0.02 4.20 3.32 -0.37 -0.47 116.42 122.94 1rqs h ASP 85 Ca 0.00 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1rqs h ASP 85 Cb 0.47 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 1rqs h ASP 85 CO -0.07 0.17 -0.26 0.25 -1.72 0.00 0.00 179.24 177.62 1rqs h LEU 86 N 0.51 -0.76 -0.78 1.55 6.46 -0.31 0.42 115.31 122.39 1rqs h LEU 86 Ca 0.38 0.11 0.03 0.00 -0.12 0.00 0.00 57.88 58.28 1rqs h LEU 86 Cb 0.51 0.31 -0.05 0.00 -0.73 0.00 0.00 40.66 40.70 1rqs h LEU 86 CO -0.34 -0.32 0.50 0.58 -0.62 0.00 0.00 178.44 178.24 1rqs h VAL 87 N -0.39 1.12 0.00 1.05 2.07 -0.45 0.92 116.25 120.57 1rqs h VAL 87 Ca 0.07 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1rqs h VAL 87 Cb 0.48 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1rqs h VAL 87 CO -0.24 0.18 0.00 -0.62 0.02 0.00 0.00 177.57 176.91 1rqs n GLU 88 N -4.60 0.22 -0.48 1.57 1.02 -0.28 -2.06 120.64 116.03 1rqs n GLU 88 Ca 0.09 0.08 0.08 0.00 -0.02 0.00 0.00 57.16 57.39 1rqs n GLU 88 Cb 0.09 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.28 1rqs n GLU 88 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1rqs n SER 89 N -1.36 4.11 -4.61 1.62 7.64 0.14 -5.02 113.62 116.13 1rqs n SER 89 Ca 0.09 -2.71 -0.37 0.00 1.01 0.00 0.00 58.87 56.89 1rqs n SER 89 Cb 0.22 -0.51 0.06 0.00 -1.01 0.00 0.00 64.21 62.96 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 0.14 -1.64 -0.43 0.00 -0.87 -4.37 120.51 113.46 1rqs n ALA 90 Ca 0.21 -0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.32 1rqs n ALA 90 Cb 0.84 -2.11 0.02 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.81 3.20 -0.12 0.00 0.04 -1.26 -5.09 135.00 128.96 1rqs s PRO 91 Ca 0.77 1.09 -0.10 0.00 0.04 0.00 0.00 61.00 62.79 1rqs s PRO 91 Cb -0.41 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.14 1rqs s PRO 91 CO 0.46 -0.90 0.31 0.00 0.04 0.00 0.00 177.00 176.91 1rqs s ALA 92 N -2.71 -0.76 0.03 8.56 0.00 -0.81 -4.99 121.76 121.08 1rqs s ALA 92 Ca 0.61 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 1rqs s ALA 92 Cb -0.15 -0.54 -0.06 0.00 0.00 0.00 0.00 23.12 22.37 1rqs s ALA 92 CO 0.44 -0.16 1.34 0.00 0.00 0.00 0.00 175.76 177.38 1rqs s ALA 93 N 0.35 3.54 -0.15 0.00 0.00 -1.26 -0.40 121.76 123.83 1rqs s ALA 93 Ca -0.02 0.90 -0.05 0.00 0.00 0.00 0.00 51.96 52.79 1rqs s ALA 93 Cb -0.03 -3.55 -0.24 0.00 0.00 0.00 0.00 23.12 19.30 1rqs s ALA 93 CO -0.01 -0.74 0.23 1.28 0.00 0.00 0.00 175.76 176.51 1rqs n LEU 94 N 4.77 2.71 -3.86 0.00 4.77 0.85 -4.90 117.00 121.34 1rqs n LEU 94 Ca 0.12 0.14 -0.11 0.00 -0.03 0.00 0.00 56.01 56.12 1rqs n LEU 94 Cb 0.44 -1.07 -0.10 0.00 -2.33 0.00 0.00 43.42 40.36 1rqs n LEU 94 CO 0.58 0.87 -0.16 -0.54 -1.33 0.00 0.00 177.39 176.80 1rqs s LYS 95 N -2.55 0.46 -0.09 3.23 1.02 -0.70 -4.99 119.74 116.12 1rqs s LYS 95 Ca -0.25 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 55.46 1rqs s LYS 95 Cb 0.07 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 1rqs s LYS 95 CO 0.73 -0.11 -0.20 -1.21 -0.92 0.00 0.00 175.35 173.64 1rqs s GLU 96 N -1.20 2.65 -0.55 1.68 2.02 -1.26 -1.56 118.70 120.47 1rqs s GLU 96 Ca -0.13 -0.74 -0.29 0.00 0.02 0.00 0.00 54.97 53.84 1rqs s GLU 96 Cb -0.07 -2.05 0.04 0.00 0.10 0.00 0.00 34.13 32.15 1rqs s GLU 96 CO 0.02 0.11 0.65 0.41 0.02 0.00 0.00 175.26 176.47 1rqs n GLY 97 N 3.67 -0.24 3.50 -1.39 0.00 -1.16 -4.94 105.19 104.64 1rqs n GLY 97 Ca -0.20 1.02 -0.24 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.89 1.63 0.39 1.61 -7.23 0.37 -4.74 120.40 110.54 1rqs s VAL 98 Ca 0.28 -2.05 -0.27 0.00 -1.81 0.00 0.00 61.98 58.13 1rqs s VAL 98 Cb -0.03 -2.77 -0.11 0.00 0.56 0.00 0.00 36.38 34.04 1rqs s VAL 98 CO 0.88 -0.09 1.43 -1.54 -0.31 0.00 0.00 175.10 175.47 1rqs n SER 99 N -0.76 3.43 -0.24 4.85 3.41 -1.23 -1.86 113.62 121.23 1rqs n SER 99 Ca -0.04 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1rqs n SER 99 Cb 0.66 -1.59 0.12 0.00 -0.26 0.00 0.00 64.21 63.14 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 2.67 0.61 -0.96 4.33 3.64 -1.85 0.07 116.57 125.07 1rqs h LYS 100 Ca -0.50 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 58.96 1rqs h LYS 100 Cb 1.26 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.87 1rqs h LYS 100 CO 0.63 0.40 0.61 -0.44 -2.27 0.00 0.00 179.45 178.38 1rqs h ASP 101 N 0.62 0.88 0.39 4.20 5.19 -1.96 0.21 116.42 125.95 1rqs h ASP 101 Ca 0.33 0.04 -0.17 0.00 -0.62 0.00 0.00 57.03 56.60 1rqs h ASP 101 Cb 0.30 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1rqs h ASP 101 CO -0.24 0.49 -0.73 0.44 -3.12 0.00 0.00 179.24 176.08 1rqs h ASP 102 N 0.95 0.34 -0.03 6.45 3.32 -1.48 -1.38 116.42 124.60 1rqs h ASP 102 Ca 0.46 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1rqs h ASP 102 Cb 0.45 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1rqs h ASP 102 CO -0.22 0.96 0.01 0.00 -1.72 0.00 0.00 179.24 178.26 1rqs h ALA 103 N 1.04 0.04 -0.09 3.45 0.00 0.11 -1.23 119.26 122.58 1rqs h ALA 103 Ca -0.03 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1rqs h ALA 103 Cb 1.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1rqs h ALA 103 CO 0.12 -0.34 -0.45 1.49 0.00 0.00 0.00 179.25 180.08 1rqs h GLU 104 N -0.20 0.20 -0.07 0.00 4.81 -0.80 -0.19 114.58 118.35 1rqs h GLU 104 Ca 0.01 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1rqs h GLU 104 Cb 0.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1rqs h GLU 104 CO 0.00 0.61 0.03 0.00 -0.73 0.00 0.00 179.01 178.92 1rqs h ALA 105 N 1.37 0.09 -0.32 2.92 0.00 -1.07 -0.13 119.26 122.13 1rqs h ALA 105 Ca 0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1rqs h ALA 105 Cb 0.86 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1rqs h ALA 105 CO 0.07 -0.32 -0.12 1.25 0.00 0.00 0.00 179.25 180.13 1rqs h LEU 106 N -0.06 0.65 -0.20 0.00 7.12 -1.08 -2.70 115.31 119.04 1rqs h LEU 106 Ca 0.02 -0.39 0.05 0.00 0.13 0.00 0.00 57.88 57.70 1rqs h LEU 106 Cb 0.18 -0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 40.07 1rqs h LEU 106 CO -0.00 0.89 -0.15 0.50 -0.13 0.00 0.00 178.44 179.55 1rqs h LYS 107 N 0.41 -0.14 -0.91 1.25 3.64 -0.91 -0.36 116.57 119.53 1rqs h LYS 107 Ca 0.08 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.57 1rqs h LYS 107 Cb 0.63 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.41 1rqs h LYS 107 CO 0.04 -0.10 0.59 1.57 -2.27 0.00 0.00 179.45 179.28 1rqs h LYS 108 N -0.15 0.85 -0.40 1.90 5.09 -0.93 0.14 116.57 123.06 1rqs h LYS 108 Ca 0.12 -0.05 -0.03 0.00 0.09 0.00 0.00 60.65 60.78 1rqs h LYS 108 Cb 0.33 -0.19 -0.02 0.00 0.10 0.00 0.00 32.23 32.45 1rqs h LYS 108 CO -0.29 0.56 0.14 0.00 -2.09 0.00 0.00 179.45 177.76 1rqs h ALA 109 N 1.56 0.52 -0.48 0.07 0.00 -0.79 0.16 119.26 120.31 1rqs h ALA 109 Ca 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1rqs h ALA 109 Cb 0.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1rqs h ALA 109 CO -0.20 0.16 0.17 -0.07 0.00 0.00 0.00 179.25 179.31 1rqs h LEU 110 N 0.50 0.68 -0.74 0.00 -0.00 0.22 -2.55 115.31 113.41 1rqs h LEU 110 Ca 0.13 -0.19 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 1rqs h LEU 110 Cb 0.24 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.69 1rqs h LEU 110 CO -0.01 0.69 0.35 -0.33 -0.00 0.00 0.00 178.44 179.14 1rqs h GLU 111 N 0.64 1.08 -0.78 1.13 5.08 -0.44 0.21 114.58 121.49 1rqs h GLU 111 Ca 0.16 -0.17 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1rqs h GLU 111 Cb 0.24 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1rqs h GLU 111 CO -0.01 0.85 0.51 0.93 -1.00 0.00 0.00 179.01 180.29 1rqs h GLU 112 N 1.05 0.66 0.02 2.33 4.39 -0.41 -0.20 114.58 122.42 1rqs h GLU 112 Ca 0.25 -0.04 -0.22 0.00 0.34 0.00 0.00 59.36 59.70 1rqs h GLU 112 Cb 0.14 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1rqs h GLU 112 CO -0.03 0.44 -1.03 0.00 -1.16 0.00 0.00 179.01 177.23 1rqs h ALA 113 N 1.61 0.32 0.00 3.43 0.00 -0.87 -3.48 119.26 120.27 1rqs h ALA 113 Ca 0.36 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1rqs h ALA 113 Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rqs h ALA 113 CO -0.14 1.21 0.00 0.41 0.00 0.00 0.00 179.25 180.73 1rqs n GLY 114 N 1.37 1.38 3.91 0.00 0.00 0.47 -4.72 105.19 107.61 1rqs n GLY 114 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 3.63 -0.26 4.61 0.00 0.24 -4.55 121.76 123.43 1rqs s ALA 115 Ca 0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 51.96 51.19 1rqs s ALA 115 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1rqs s ALA 115 CO 0.00 0.17 0.35 -2.00 0.00 0.00 0.00 175.76 174.27 1rqs s GLU 116 N -3.75 4.03 0.29 0.00 2.12 0.65 -4.09 118.70 117.95 1rqs s GLU 116 Ca 0.43 0.01 0.09 0.00 0.36 0.00 0.00 54.97 55.85 1rqs s GLU 116 Cb -0.10 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 1rqs s GLU 116 CO 0.32 -0.22 0.09 0.08 -0.54 0.00 0.00 175.26 174.99 1rqs s VAL 117 N 1.89 3.55 -0.04 3.70 1.01 -1.26 -2.22 120.40 127.03 1rqs s VAL 117 Ca 0.14 -1.72 0.02 0.00 0.00 0.00 0.00 61.98 60.42 1rqs s VAL 117 Cb -0.16 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1rqs s VAL 117 CO 0.09 -0.31 -0.11 -0.70 0.00 0.00 0.00 175.10 174.08 1rqs s GLU 118 N -3.77 1.32 -0.21 2.72 2.12 0.21 -4.84 118.70 116.25 1rqs s GLU 118 Ca 0.34 -0.36 -0.04 0.00 0.36 0.00 0.00 54.97 55.27 1rqs s GLU 118 Cb -0.06 -1.16 -0.02 0.00 0.26 0.00 0.00 34.13 33.15 1rqs s GLU 118 CO 0.22 0.07 -0.02 0.08 -0.54 0.00 0.00 175.26 175.08 1rqs s VAL 119 N 0.44 3.71 0.00 3.70 1.01 -1.26 -0.88 120.40 127.11 1rqs s VAL 119 Ca -0.09 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1rqs s VAL 119 Cb -0.12 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1rqs s VAL 119 CO 0.02 0.42 0.29 0.29 0.00 0.00 0.00 175.10 176.12