#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 -0.68 0.56 0.00 0.00 -1.26 -5.14 121.76 115.23 1rqs s ALA 48 Ca 0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 1rqs s ALA 48 Cb 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1rqs s ALA 48 CO 0.00 -2.14 0.92 -1.21 0.00 0.00 0.00 175.76 173.33 1rqs s GLU 49 N 0.98 3.56 0.23 0.00 2.02 -1.26 -5.05 118.70 119.19 1rqs s GLU 49 Ca 0.24 0.49 -0.20 0.00 0.02 0.00 0.00 54.97 55.53 1rqs s GLU 49 Cb -0.05 -2.22 -0.08 0.00 0.10 0.00 0.00 34.13 31.88 1rqs s GLU 49 CO -0.08 -0.41 0.74 -1.21 0.02 0.00 0.00 175.26 174.32 1rqs s GLU 50 N -4.98 4.26 -0.44 1.61 0.41 -1.26 -5.03 118.70 113.27 1rqs s GLU 50 Ca 0.52 0.89 0.05 0.00 -0.41 0.00 0.00 54.97 56.01 1rqs s GLU 50 Cb -0.11 -2.85 0.19 0.00 -1.78 0.00 0.00 34.13 29.58 1rqs s GLU 50 CO 0.50 0.38 0.40 1.17 -0.49 0.00 0.00 175.26 177.22 1rqs n LYS 51 N 0.67 0.50 -0.76 1.61 4.81 -1.26 -4.91 118.16 118.82 1rqs n LYS 51 Ca -0.02 -3.34 0.06 0.00 -0.87 0.00 0.00 58.31 54.14 1rqs n LYS 51 Cb 0.51 -1.65 0.17 0.00 0.02 0.00 0.00 35.03 34.08 1rqs n LYS 51 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1rqs n THR 52 N 2.41 1.72 -3.56 3.15 -2.24 -1.26 -4.93 114.28 109.57 1rqs n THR 52 Ca 0.27 -2.71 -0.29 0.00 -2.27 0.00 0.00 64.05 59.05 1rqs n THR 52 Cb 0.48 0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.52 0.39 0.06 -0.78 2.02 -1.26 -4.43 118.70 112.18 1rqs s GLU 53 Ca 0.37 -0.84 0.05 0.00 0.02 0.00 0.00 54.97 54.56 1rqs s GLU 53 Cb 0.37 -1.36 -0.04 0.00 0.10 0.00 0.00 34.13 33.20 1rqs s GLU 53 CO -0.09 -1.06 -0.06 -0.06 0.02 0.00 0.00 175.26 174.02 1rqs s PHE 54 N 1.74 2.87 -0.04 1.61 0.40 -0.66 -4.72 117.98 119.18 1rqs s PHE 54 Ca 0.11 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.38 1rqs s PHE 54 Cb -0.18 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 1rqs s PHE 54 CO -0.25 0.42 -0.04 -0.51 0.70 0.00 0.00 175.22 175.54 1rqs s ASP 55 N -1.95 4.88 -0.26 1.36 1.11 -0.96 -0.08 116.67 120.78 1rqs s ASP 55 Ca 0.21 -0.01 -0.01 0.00 0.18 0.00 0.00 52.55 52.92 1rqs s ASP 55 Cb -0.11 -1.25 0.03 0.00 1.07 0.00 0.00 42.92 42.66 1rqs s ASP 55 CO 0.13 0.33 -0.05 -0.69 1.18 0.00 0.00 175.17 176.06 1rqs s VAL 56 N -0.94 2.82 -0.00 -1.27 1.01 -0.26 -0.74 120.40 121.01 1rqs s VAL 56 Ca 0.15 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1rqs s VAL 56 Cb -0.11 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1rqs s VAL 56 CO 0.05 0.11 0.03 -0.63 0.00 0.00 0.00 175.10 174.66 1rqs s ILE 57 N 1.29 4.33 -0.37 2.22 1.01 0.39 -0.70 121.20 129.38 1rqs s ILE 57 Ca -0.02 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 59.94 1rqs s ILE 57 Cb -0.18 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.34 1rqs s ILE 57 CO -0.04 0.36 0.28 -0.22 0.00 0.00 0.00 174.94 175.32 1rqs s LEU 58 N -1.63 4.74 -0.10 2.97 2.96 0.94 -1.21 118.68 127.35 1rqs s LEU 58 Ca 0.21 -0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 53.47 1rqs s LEU 58 Cb -0.12 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 1rqs s LEU 58 CO 0.11 -0.33 -0.12 0.11 -1.32 0.00 0.00 176.35 174.80 1rqs h LYS 59 N 8.55 0.00 -3.65 1.98 1.79 -1.74 -1.57 116.57 121.93 1rqs h LYS 59 Ca -0.29 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 57.83 1rqs h LYS 59 Cb 1.14 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.45 1rqs h LYS 59 CO 0.68 0.00 -0.74 0.00 -1.08 0.00 0.00 179.45 178.30 1rqs s ALA 60 N -2.78 0.28 0.38 3.86 0.00 -1.03 -4.43 121.76 118.04 1rqs s ALA 60 Ca -0.10 0.18 0.26 0.00 0.00 0.00 0.00 51.96 52.30 1rqs s ALA 60 Cb 0.01 -0.35 1.34 0.00 0.00 0.00 0.00 23.12 24.12 1rqs s ALA 60 CO 0.15 -0.13 2.03 0.00 0.00 0.00 0.00 175.76 177.81 1rqs h ALA 61 N 7.41 1.27 -0.27 0.00 0.00 -1.92 0.23 119.26 125.98 1rqs h ALA 61 Ca -0.40 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1rqs h ALA 61 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1rqs h ALA 61 CO 0.44 0.18 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1rqs n GLY 62 N -0.59 -0.27 1.89 0.00 0.00 -1.26 -3.58 105.19 101.38 1rqs n GLY 62 Ca -0.02 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.78 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 4.09 5.05 -2.81 4.61 0.00 -1.25 -4.07 120.51 126.12 1rqs n ALA 63 Ca 0.00 -1.85 -0.10 0.00 0.00 0.00 0.00 53.44 51.49 1rqs n ALA 63 Cb 0.00 -1.39 0.07 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.36 0.26 0.00 2.85 -1.23 -4.95 115.26 110.86 1rqs n ASN 64 Ca 0.34 -3.23 0.10 0.00 -0.11 0.00 0.00 54.58 51.68 1rqs n ASN 64 Cb 0.72 1.06 0.69 0.00 1.24 0.00 0.00 39.78 43.49 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 2.79 0.00 0.55 1.20 3.64 -1.75 -1.88 116.57 121.12 1rqs h LYS 65 Ca -0.10 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1rqs h LYS 65 Cb 1.12 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1rqs h LYS 65 CO 0.19 0.11 -0.26 0.28 -2.27 0.00 0.00 179.45 177.49 1rqs h VAL 66 N 0.00 0.00 -1.00 2.00 2.07 -1.93 -0.16 116.25 117.23 1rqs h VAL 66 Ca -0.00 -0.20 0.12 0.00 0.82 0.00 0.00 66.70 67.44 1rqs h VAL 66 Cb 0.24 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.93 1rqs h VAL 66 CO 0.01 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.24 1rqs h ALA 67 N -1.46 1.52 0.76 1.67 0.00 -1.93 -0.80 119.26 119.01 1rqs h ALA 67 Ca -0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1rqs h ALA 67 Cb 0.57 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1rqs h ALA 67 CO 0.12 0.24 -0.41 0.28 0.00 0.00 0.00 179.25 179.48 1rqs h VAL 68 N 1.01 0.16 -0.92 0.00 2.07 -1.30 0.17 116.25 117.44 1rqs h VAL 68 Ca 0.49 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.21 1rqs h VAL 68 Cb 0.47 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1rqs h VAL 68 CO -0.26 0.00 0.60 0.40 0.02 0.00 0.00 177.57 178.33 1rqs h ILE 69 N -1.08 0.70 0.29 4.57 2.04 -0.23 0.32 117.51 124.12 1rqs h ILE 69 Ca -0.10 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1rqs h ILE 69 Cb 0.85 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1rqs h ILE 69 CO 0.14 0.09 -0.14 0.11 0.00 0.00 0.00 178.15 178.35 1rqs h LYS 70 N 0.49 -0.38 -0.95 2.37 1.57 -0.56 -0.45 116.57 118.66 1rqs h LYS 70 Ca 0.48 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.40 1rqs h LYS 70 Cb 1.08 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 33.40 1rqs h LYS 70 CO -0.21 -0.08 0.58 0.00 -0.57 0.00 0.00 179.45 179.17 1rqs h ALA 71 N -0.09 1.41 0.19 3.86 0.00 0.14 0.39 119.26 125.16 1rqs h ALA 71 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rqs h ALA 71 Cb 0.47 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1rqs h ALA 71 CO 0.07 0.18 -0.09 0.28 0.00 0.00 0.00 179.25 179.69 1rqs h VAL 72 N 0.93 0.00 -1.04 0.00 2.07 -0.31 0.20 116.25 118.09 1rqs h VAL 72 Ca 0.47 -0.01 0.27 0.00 0.82 0.00 0.00 66.70 68.25 1rqs h VAL 72 Cb 0.46 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.14 1rqs h VAL 72 CO -0.26 0.00 0.68 -0.09 0.02 0.00 0.00 177.57 177.92 1rqs h ARG 73 N -0.27 0.32 0.00 1.57 2.43 -0.84 0.66 114.38 118.25 1rqs h ARG 73 Ca -0.03 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 1rqs h ARG 73 Cb 0.19 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1rqs h ARG 73 CO 0.04 0.21 -0.60 0.78 -1.51 0.00 0.00 179.97 178.90 1rqs h GLY 74 N 0.33 0.00 1.45 2.80 0.00 -0.01 0.71 103.07 108.35 1rqs h GLY 74 Ca 0.57 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.73 1rqs h GLY 74 CO -0.24 0.00 -1.13 0.00 0.00 0.00 0.00 176.54 175.17 1rqs h ALA 75 N 1.40 0.63 -1.03 3.60 0.00 0.34 -3.43 119.26 120.77 1rqs h ALA 75 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1rqs h ALA 75 Cb 1.10 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1rqs h ALA 75 CO 0.08 0.99 0.00 0.25 0.00 0.00 0.00 179.25 180.57 1rqs n THR 76 N -3.09 0.00 0.00 0.00 -2.24 0.53 -5.06 114.28 104.42 1rqs n THR 76 Ca -0.06 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1rqs n THR 76 Cb 0.86 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 3.13 1.81 3.77 3.38 0.00 0.25 -5.02 105.19 112.50 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 3.55 0.44 0.99 1.43 -1.26 -4.95 118.68 118.88 1rqs s LEU 78 Ca 0.00 2.09 -0.24 0.00 -1.03 0.00 0.00 54.13 54.95 1rqs s LEU 78 Cb 0.00 -4.57 -0.10 0.00 0.03 0.00 0.00 46.19 41.56 1rqs s LEU 78 CO 0.00 -1.47 1.07 0.61 0.23 0.00 0.00 176.35 176.80 1rqs n GLY 79 N -0.20 -0.03 0.34 -3.19 0.00 -1.26 -4.58 105.19 96.27 1rqs n GLY 79 Ca 0.11 0.12 0.12 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 1.56 -0.59 0.33 0.99 5.85 -1.99 0.22 115.31 121.69 1rqs h LEU 80 Ca -0.46 0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1rqs h LEU 80 Cb 1.33 0.52 0.00 0.00 0.37 0.00 0.00 40.66 42.88 1rqs h LEU 80 CO 0.57 -0.34 -0.17 0.50 -0.34 0.00 0.00 178.44 178.66 1rqs h LYS 81 N 0.01 -0.44 -0.99 1.25 3.64 -1.99 -0.08 116.57 117.97 1rqs h LYS 81 Ca 0.56 0.03 0.25 0.00 -1.27 0.00 0.00 60.65 60.22 1rqs h LYS 81 Cb 1.08 0.10 -0.18 0.00 -0.41 0.00 0.00 32.23 32.81 1rqs h LYS 81 CO -0.94 -0.29 -0.05 0.93 -2.27 0.00 0.00 179.45 176.83 1rqs h GLU 82 N -0.46 0.01 -0.24 1.90 4.39 -1.35 0.93 114.58 119.75 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 0.35 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1rqs h GLU 82 CO 0.07 0.00 0.14 0.00 -1.16 0.00 0.00 179.01 178.06 1rqs h ALA 83 N 1.99 0.31 0.16 3.43 0.00 -0.50 0.99 119.26 125.63 1rqs h ALA 83 Ca 0.56 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.43 1rqs h ALA 83 Cb 1.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1rqs h ALA 83 CO -0.95 -0.17 -0.26 -0.22 0.00 0.00 0.00 179.25 177.64 1rqs h LYS 84 N 0.29 -0.48 -0.40 0.00 1.63 0.27 -1.48 116.57 116.40 1rqs h LYS 84 Ca 0.09 0.03 0.07 0.00 -0.85 0.00 0.00 60.65 59.98 1rqs h LYS 84 Cb 0.04 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.73 1rqs h LYS 84 CO -0.01 -0.32 0.06 -0.44 -3.45 0.00 0.00 179.45 175.28 1rqs h ASP 85 N -0.50 -0.04 -0.20 4.20 5.19 -0.50 0.15 116.42 124.73 1rqs h ASP 85 Ca 0.02 0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.54 1rqs h ASP 85 Cb 0.50 0.11 -0.06 0.00 0.18 0.00 0.00 39.33 40.06 1rqs h ASP 85 CO -0.13 0.01 -0.52 0.25 -3.12 0.00 0.00 179.24 175.74 1rqs h LEU 86 N 0.18 -1.66 -1.12 1.55 5.85 -0.25 0.53 115.31 120.39 1rqs h LEU 86 Ca 0.19 0.20 0.03 0.00 0.84 0.00 0.00 57.88 59.15 1rqs h LEU 86 Cb 0.25 0.66 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 1rqs h LEU 86 CO -0.28 -0.43 0.60 0.58 -0.34 0.00 0.00 178.44 178.57 1rqs h VAL 87 N -0.50 1.17 0.00 1.05 2.07 -0.80 0.83 116.25 120.07 1rqs h VAL 87 Ca 0.04 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1rqs h VAL 87 Cb 0.62 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1rqs h VAL 87 CO -0.45 0.21 0.00 -0.33 0.02 0.00 0.00 177.57 177.02 1rqs h GLU 88 N 1.16 0.00 -0.41 1.57 4.39 0.12 -1.85 114.58 119.56 1rqs h GLU 88 Ca 0.35 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 1rqs h GLU 88 Cb -0.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1rqs h GLU 88 CO -0.10 0.00 0.02 0.43 -1.16 0.00 0.00 179.01 178.20 1rqs n SER 89 N -2.48 4.51 -4.55 1.42 7.64 0.17 -5.02 113.62 115.31 1rqs n SER 89 Ca 0.02 -3.05 -0.38 0.00 1.01 0.00 0.00 58.87 56.47 1rqs n SER 89 Cb 0.24 -0.61 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 -0.15 -0.43 -1.60 -0.43 0.00 -0.70 -4.42 120.51 112.78 1rqs n ALA 90 Ca 0.26 -0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.36 1rqs n ALA 90 Cb 1.05 -1.99 0.04 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.50 3.07 0.07 0.00 0.04 -1.26 -5.10 135.00 129.31 1rqs s PRO 91 Ca 0.73 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.78 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 0.50 -1.00 -0.05 0.00 0.04 0.00 0.00 177.00 176.49 1rqs s ALA 92 N -2.90 0.68 -0.38 8.56 0.00 -0.59 -4.97 121.76 122.16 1rqs s ALA 92 Ca 0.59 -1.21 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 1rqs s ALA 92 Cb -0.14 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1rqs s ALA 92 CO 0.50 -0.29 0.61 0.00 0.00 0.00 0.00 175.76 176.59 1rqs s ALA 93 N -3.55 3.43 -0.11 0.00 0.00 -1.26 -0.04 121.76 120.22 1rqs s ALA 93 Ca 0.07 -0.99 -0.25 0.00 0.00 0.00 0.00 51.96 50.79 1rqs s ALA 93 Cb 0.05 -3.18 -0.27 0.00 0.00 0.00 0.00 23.12 19.72 1rqs s ALA 93 CO -0.07 -1.45 0.74 -0.07 0.00 0.00 0.00 175.76 174.91 1rqs h LEU 94 N 9.42 0.18 -7.79 0.00 3.38 -1.25 -3.48 115.31 115.78 1rqs h LEU 94 Ca -0.26 -0.93 -0.14 0.00 0.09 0.00 0.00 57.88 56.64 1rqs h LEU 94 Cb 1.11 -0.06 -0.20 0.00 0.09 0.00 0.00 40.66 41.60 1rqs h LEU 94 CO 0.84 1.23 -0.51 -0.54 0.09 0.00 0.00 178.44 179.55 1rqs s LYS 95 N -2.32 0.49 -0.09 1.13 1.02 -0.70 -4.99 119.74 114.29 1rqs s LYS 95 Ca -0.18 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.35 1rqs s LYS 95 Cb -0.00 0.20 0.01 0.00 -0.52 0.00 0.00 37.83 37.52 1rqs s LYS 95 CO 0.73 -0.12 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.67 1rqs s GLU 96 N -1.61 2.21 -0.51 1.68 2.02 -1.26 -1.11 118.70 120.12 1rqs s GLU 96 Ca -0.13 -0.58 -0.32 0.00 0.02 0.00 0.00 54.97 53.96 1rqs s GLU 96 Cb -0.07 -1.79 0.05 0.00 0.10 0.00 0.00 34.13 32.42 1rqs s GLU 96 CO 0.00 0.04 0.66 0.41 0.02 0.00 0.00 175.26 176.39 1rqs n GLY 97 N 3.86 -0.14 3.49 -1.39 0.00 -1.05 -4.93 105.19 105.04 1rqs n GLY 97 Ca -0.21 1.09 -0.23 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.77 1.45 0.36 1.61 -7.23 0.88 -4.73 120.40 110.97 1rqs s VAL 98 Ca 0.32 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 58.19 1rqs s VAL 98 Cb -0.04 -2.82 -0.11 0.00 0.56 0.00 0.00 36.38 33.98 1rqs s VAL 98 CO 0.87 -0.03 1.50 -0.94 -0.31 0.00 0.00 175.10 176.19 1rqs s SER 99 N -3.54 6.37 0.23 4.85 1.04 -1.26 -1.65 113.70 119.73 1rqs s SER 99 Ca 0.36 3.02 -0.06 0.00 0.48 0.00 0.00 55.95 59.74 1rqs s SER 99 Cb 0.09 -2.66 0.37 0.00 0.10 0.00 0.00 66.02 63.92 1rqs s SER 99 CO 0.16 -0.86 1.75 0.50 0.98 0.00 0.00 173.24 175.76 1rqs h LYS 100 N 3.33 0.46 -0.83 4.02 3.64 -1.93 0.19 116.57 125.45 1rqs h LYS 100 Ca -0.50 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 58.94 1rqs h LYS 100 Cb 1.24 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.88 1rqs h LYS 100 CO 0.67 0.30 0.48 -0.44 -2.27 0.00 0.00 179.45 178.19 1rqs h ASP 101 N 0.47 0.70 -0.16 4.20 5.19 -1.99 0.23 116.42 125.06 1rqs h ASP 101 Ca 0.37 0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.70 1rqs h ASP 101 Cb 0.49 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 1rqs h ASP 101 CO -0.34 0.41 -0.31 0.44 -3.12 0.00 0.00 179.24 176.31 1rqs h ASP 102 N 0.82 0.68 -0.11 6.45 3.32 -1.41 -1.39 116.42 124.79 1rqs h ASP 102 Ca 0.39 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1rqs h ASP 102 Cb 0.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1rqs h ASP 102 CO -0.24 0.95 0.06 0.00 -1.72 0.00 0.00 179.24 178.29 1rqs h ALA 103 N 1.09 0.14 0.00 3.45 0.00 0.10 -1.38 119.26 122.67 1rqs h ALA 103 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1rqs h ALA 103 Cb 0.81 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1rqs h ALA 103 CO 0.07 -0.31 -0.23 0.93 0.00 0.00 0.00 179.25 179.71 1rqs h GLU 104 N 0.07 0.00 0.07 0.00 3.07 -0.54 -0.16 114.58 117.10 1rqs h GLU 104 Ca 0.04 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1rqs h GLU 104 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1rqs h GLU 104 CO -0.01 0.23 -0.03 0.00 -1.40 0.00 0.00 179.01 177.80 1rqs h ALA 105 N 1.77 -0.10 -0.29 3.43 0.00 -0.73 -0.76 119.26 122.58 1rqs h ALA 105 Ca -0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1rqs h ALA 105 Cb 0.57 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1rqs h ALA 105 CO 0.03 -0.31 0.05 1.25 0.00 0.00 0.00 179.25 180.28 1rqs h LEU 106 N -0.59 0.46 -0.20 0.00 7.12 -1.06 -2.46 115.31 118.58 1rqs h LEU 106 Ca -0.01 -0.25 0.04 0.00 0.13 0.00 0.00 57.88 57.79 1rqs h LEU 106 Cb 0.50 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.47 1rqs h LEU 106 CO 0.02 0.60 -0.07 0.50 -0.13 0.00 0.00 178.44 179.35 1rqs h LYS 107 N 0.31 -0.03 -0.94 1.25 3.64 -1.06 -0.52 116.57 119.21 1rqs h LYS 107 Ca 0.09 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.61 1rqs h LYS 107 Cb 0.33 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.06 1rqs h LYS 107 CO 0.00 -0.02 0.55 0.87 -2.27 0.00 0.00 179.45 178.58 1rqs h LYS 108 N -0.03 0.78 -0.58 1.90 1.57 -0.99 0.14 116.57 119.35 1rqs h LYS 108 Ca 0.10 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1rqs h LYS 108 Cb 0.19 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1rqs h LYS 108 CO -0.23 0.52 0.05 0.00 -0.57 0.00 0.00 179.45 179.22 1rqs h ALA 109 N 1.56 0.78 -0.33 3.86 0.00 -0.68 0.23 119.26 124.68 1rqs h ALA 109 Ca 0.50 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1rqs h ALA 109 Cb 0.63 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1rqs h ALA 109 CO -0.32 0.57 0.12 -0.07 0.00 0.00 0.00 179.25 179.55 1rqs h LEU 110 N 0.89 0.46 -0.82 0.00 -0.00 0.45 -2.43 115.31 113.85 1rqs h LEU 110 Ca 0.17 -0.18 -0.09 0.00 -0.00 0.00 0.00 57.88 57.78 1rqs h LEU 110 Cb 0.48 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 1rqs h LEU 110 CO 0.02 0.51 -0.10 -0.33 -0.00 0.00 0.00 178.44 178.55 1rqs h GLU 111 N 0.38 0.78 -0.86 1.13 5.08 -0.47 0.22 114.58 120.83 1rqs h GLU 111 Ca 0.11 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1rqs h GLU 111 Cb 0.20 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1rqs h GLU 111 CO -0.01 0.85 0.57 0.93 -1.00 0.00 0.00 179.01 180.35 1rqs h GLU 112 N 0.71 1.02 0.00 2.33 4.39 -0.32 -1.63 114.58 121.08 1rqs h GLU 112 Ca 0.12 -0.06 -0.22 0.00 0.34 0.00 0.00 59.36 59.55 1rqs h GLU 112 Cb 0.57 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1rqs h GLU 112 CO 0.04 0.67 -1.12 0.00 -1.16 0.00 0.00 179.01 177.44 1rqs h ALA 113 N 1.50 0.49 0.00 3.43 0.00 -0.94 -3.48 119.26 120.25 1rqs h ALA 113 Ca 0.35 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1rqs h ALA 113 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1rqs h ALA 113 CO -0.11 1.25 0.00 0.41 0.00 0.00 0.00 179.25 180.80 1rqs n GLY 114 N 1.38 0.83 3.30 0.00 0.00 0.56 -4.73 105.19 106.54 1rqs n GLY 114 Ca -0.04 -0.73 -0.18 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 -1.76 1.79 -0.27 4.61 0.00 -0.02 -3.95 121.76 122.17 1rqs s ALA 115 Ca 0.00 -1.54 -0.17 0.00 0.00 0.00 0.00 51.96 50.25 1rqs s ALA 115 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1rqs s ALA 115 CO 0.00 0.05 0.46 -2.00 0.00 0.00 0.00 175.76 174.26 1rqs s GLU 116 N -3.43 4.04 0.28 0.00 2.56 0.81 -4.29 118.70 118.67 1rqs s GLU 116 Ca 0.18 0.19 0.09 0.00 0.00 0.00 0.00 54.97 55.44 1rqs s GLU 116 Cb -0.01 -3.66 -0.04 0.00 2.00 0.00 0.00 34.13 32.42 1rqs s GLU 116 CO 0.05 -0.33 0.01 0.08 -0.56 0.00 0.00 175.26 174.51 1rqs s VAL 117 N 2.21 3.29 -0.03 3.70 1.01 -1.26 -2.23 120.40 127.09 1rqs s VAL 117 Ca 0.19 -1.91 0.01 0.00 0.00 0.00 0.00 61.98 60.26 1rqs s VAL 117 Cb -0.16 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1rqs s VAL 117 CO 0.10 -0.34 -0.03 -0.70 0.00 0.00 0.00 175.10 174.12 1rqs s GLU 118 N -3.69 0.54 -0.22 2.72 2.12 -0.35 -4.86 118.70 114.97 1rqs s GLU 118 Ca 0.32 -0.08 -0.04 0.00 0.36 0.00 0.00 54.97 55.53 1rqs s GLU 118 Cb -0.05 -0.59 -0.01 0.00 0.26 0.00 0.00 34.13 33.73 1rqs s GLU 118 CO 0.20 -0.03 -0.02 0.08 -0.54 0.00 0.00 175.26 174.95 1rqs s VAL 119 N 0.59 3.60 -0.80 3.70 1.01 -1.26 -0.46 120.40 126.78 1rqs s VAL 119 Ca -0.07 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.55 1rqs s VAL 119 Cb -0.10 -2.64 0.05 0.00 0.00 0.00 0.00 36.38 33.69 1rqs s VAL 119 CO -0.00 0.42 0.70 1.17 0.00 0.00 0.00 175.10 177.38