#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 3.87 -0.86 0.00 0.00 -1.26 -4.99 120.51 117.27 1rqs n ALA 48 Ca 0.00 -4.11 -0.28 0.00 0.00 0.00 0.00 53.44 49.04 1rqs n ALA 48 Cb 0.00 -3.24 0.22 0.00 0.00 0.00 0.00 19.45 16.43 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 2.40 -0.30 0.27 0.00 2.02 -1.26 -5.00 118.70 116.84 1rqs s GLU 49 Ca 0.46 0.67 -0.19 0.00 0.02 0.00 0.00 54.97 55.93 1rqs s GLU 49 Cb 0.00 -1.64 -0.09 0.00 0.10 0.00 0.00 34.13 32.51 1rqs s GLU 49 CO 0.03 -3.26 0.76 -1.21 0.02 0.00 0.00 175.26 171.59 1rqs s GLU 50 N -4.71 4.21 -0.73 1.61 2.02 -1.26 -5.01 118.70 114.82 1rqs s GLU 50 Ca 0.67 0.86 -0.21 0.00 0.02 0.00 0.00 54.97 56.30 1rqs s GLU 50 Cb -0.22 -2.71 0.09 0.00 0.10 0.00 0.00 34.13 31.39 1rqs s GLU 50 CO 0.61 0.30 1.00 -1.59 0.02 0.00 0.00 175.26 175.60 1rqs s LYS 51 N -2.33 3.24 -0.14 1.61 -2.85 -1.26 -4.77 119.74 113.24 1rqs s LYS 51 Ca 0.48 -1.09 0.15 0.00 -1.00 0.00 0.00 55.97 54.51 1rqs s LYS 51 Cb -0.15 -4.43 0.37 0.00 -2.06 0.00 0.00 37.83 31.57 1rqs s LYS 51 CO 0.20 -1.81 1.18 0.25 0.10 0.00 0.00 175.35 175.27 1rqs n THR 52 N 5.83 1.54 -3.67 3.79 -2.24 -1.26 -4.94 114.28 113.33 1rqs n THR 52 Ca 0.03 -2.37 -0.30 0.00 -2.27 0.00 0.00 64.05 59.15 1rqs n THR 52 Cb 0.46 0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.28 0.73 -0.00 -0.78 2.02 -1.26 -4.62 118.70 112.51 1rqs s GLU 53 Ca 0.33 -1.20 0.03 0.00 0.02 0.00 0.00 54.97 54.15 1rqs s GLU 53 Cb 0.33 -1.87 -0.03 0.00 0.10 0.00 0.00 34.13 32.66 1rqs s GLU 53 CO -0.07 -1.05 -0.07 -0.06 0.02 0.00 0.00 175.26 174.03 1rqs s PHE 54 N 1.38 2.87 -0.04 1.61 0.40 -1.03 -4.78 117.98 118.40 1rqs s PHE 54 Ca 0.12 -0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.42 1rqs s PHE 54 Cb -0.19 -1.61 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 1rqs s PHE 54 CO -0.19 0.36 -0.06 -0.51 0.70 0.00 0.00 175.22 175.52 1rqs s ASP 55 N -1.35 4.71 -0.27 1.36 1.01 -0.36 -0.38 116.67 121.38 1rqs s ASP 55 Ca 0.16 -0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.36 1rqs s ASP 55 Cb -0.11 -1.17 0.04 0.00 1.01 0.00 0.00 42.92 42.69 1rqs s ASP 55 CO 0.07 0.33 -0.05 -0.69 0.21 0.00 0.00 175.17 175.04 1rqs s VAL 56 N -0.90 2.80 0.05 -1.27 1.01 -0.65 -0.94 120.40 120.50 1rqs s VAL 56 Ca 0.14 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 60.89 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 0.04 0.04 0.01 -0.63 0.00 0.00 0.00 175.10 174.56 1rqs s ILE 57 N 1.26 4.12 -0.29 2.22 1.01 0.26 -0.44 121.20 129.34 1rqs s ILE 57 Ca -0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 1rqs s ILE 57 Cb -0.18 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 1rqs s ILE 57 CO -0.03 0.22 0.13 -0.22 0.00 0.00 0.00 174.94 175.04 1rqs s LEU 58 N -2.03 3.92 -0.18 2.97 2.96 0.22 -1.11 118.68 125.44 1rqs s LEU 58 Ca 0.24 -0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 53.61 1rqs s LEU 58 Cb -0.12 -1.99 -0.08 0.00 0.50 0.00 0.00 46.19 44.50 1rqs s LEU 58 CO 0.16 -0.14 -0.17 0.29 -1.32 0.00 0.00 176.35 175.17 1rqs n LYS 59 N 4.97 0.51 -4.02 1.98 4.76 -0.97 -1.99 118.16 123.40 1rqs n LYS 59 Ca -0.14 0.43 -0.19 0.00 -2.87 0.00 0.00 58.31 55.53 1rqs n LYS 59 Cb 0.50 -1.61 -0.16 0.00 -1.84 0.00 0.00 35.03 31.91 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 -2.68 0.53 0.36 7.82 0.00 -1.04 -4.39 121.76 122.35 1rqs s ALA 60 Ca -0.24 0.03 0.15 0.00 0.00 0.00 0.00 51.96 51.90 1rqs s ALA 60 Cb 0.05 -0.41 0.85 0.00 0.00 0.00 0.00 23.12 23.60 1rqs s ALA 60 CO 0.38 -0.09 1.87 0.00 0.00 0.00 0.00 175.76 177.92 1rqs h ALA 61 N 7.34 1.36 0.00 0.00 0.00 -1.90 0.12 119.26 126.18 1rqs h ALA 61 Ca -0.38 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1rqs h ALA 61 Cb 1.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1rqs h ALA 61 CO 0.45 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.51 1rqs n GLY 62 N -0.48 -1.78 1.79 0.00 0.00 -1.26 -4.05 105.19 99.41 1rqs n GLY 62 Ca -0.02 -1.45 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 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 0.95 4.78 -2.86 4.61 0.00 -1.26 -4.08 120.51 122.65 1rqs n ALA 63 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 53.44 51.87 1rqs n ALA 63 Cb 0.00 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.19 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 0.32 -1.56 0.22 0.00 2.85 -1.26 -4.96 115.26 110.87 1rqs n ASN 64 Ca 0.27 -3.44 0.06 0.00 -0.11 0.00 0.00 54.58 51.35 1rqs n ASN 64 Cb 0.66 1.20 0.51 0.00 1.24 0.00 0.00 39.78 43.39 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 3.18 0.00 0.64 1.20 3.64 -1.78 -2.10 116.57 121.34 1rqs h LYS 65 Ca -0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1rqs h LYS 65 Cb 1.05 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1rqs h LYS 65 CO 0.26 0.19 -0.31 0.28 -2.27 0.00 0.00 179.45 177.60 1rqs h VAL 66 N 0.00 0.00 -1.00 2.00 2.07 -1.95 0.62 116.25 118.00 1rqs h VAL 66 Ca -0.00 -0.15 0.13 0.00 0.82 0.00 0.00 66.70 67.50 1rqs h VAL 66 Cb 0.35 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 1rqs h VAL 66 CO 0.02 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.24 1rqs h ALA 67 N -1.46 1.52 0.67 1.67 0.00 -1.96 -1.50 119.26 118.20 1rqs h ALA 67 Ca -0.09 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1rqs h ALA 67 Cb 0.66 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1rqs h ALA 67 CO 0.14 0.20 -0.43 0.28 0.00 0.00 0.00 179.25 179.44 1rqs h VAL 68 N 0.97 0.14 -0.96 0.00 2.07 -1.24 0.10 116.25 117.33 1rqs h VAL 68 Ca 0.50 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.24 1rqs h VAL 68 Cb 0.52 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.35 1rqs h VAL 68 CO -0.28 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.34 1rqs h ILE 69 N -1.04 0.64 0.29 4.57 2.04 -0.05 0.38 117.51 124.34 1rqs h ILE 69 Ca -0.08 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1rqs h ILE 69 Cb 0.85 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1rqs h ILE 69 CO 0.07 0.08 -0.14 0.11 0.00 0.00 0.00 178.15 178.28 1rqs h LYS 70 N 0.46 -0.37 -0.88 2.37 1.57 -0.63 -0.66 116.57 118.43 1rqs h LYS 70 Ca 0.52 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.43 1rqs h LYS 70 Cb 1.22 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 33.54 1rqs h LYS 70 CO -0.23 -0.07 0.51 0.00 -0.57 0.00 0.00 179.45 179.09 1rqs h ALA 71 N -0.12 1.29 0.07 3.86 0.00 0.17 0.22 119.26 124.75 1rqs h ALA 71 Ca -0.04 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rqs h ALA 71 Cb 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1rqs h ALA 71 CO 0.07 0.11 -0.03 0.28 0.00 0.00 0.00 179.25 179.67 1rqs h VAL 72 N 0.83 0.00 -1.14 0.00 2.07 -0.25 0.26 116.25 118.02 1rqs h VAL 72 Ca 0.44 -0.00 0.32 0.00 0.82 0.00 0.00 66.70 68.27 1rqs h VAL 72 Cb 0.44 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.13 1rqs h VAL 72 CO -0.27 0.00 0.77 -0.09 0.02 0.00 0.00 177.57 178.00 1rqs h ARG 73 N -0.09 0.19 -0.06 1.57 2.43 -0.91 0.82 114.38 118.32 1rqs h ARG 73 Ca -0.01 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 1rqs h ARG 73 Cb 0.07 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1rqs h ARG 73 CO 0.02 0.12 -0.74 0.78 -1.51 0.00 0.00 179.97 178.64 1rqs h GLY 74 N 0.19 0.37 1.53 2.80 0.00 -0.31 0.35 103.07 108.00 1rqs h GLY 74 Ca 0.61 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 1rqs h GLY 74 CO -0.18 0.48 -0.76 0.00 0.00 0.00 0.00 176.54 176.07 1rqs h ALA 75 N 0.98 0.69 -1.93 3.60 0.00 0.40 -3.43 119.26 119.58 1rqs h ALA 75 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1rqs h ALA 75 Cb 1.31 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1rqs h ALA 75 CO 0.12 0.48 0.00 0.25 0.00 0.00 0.00 179.25 180.10 1rqs n THR 76 N -3.01 0.00 0.00 0.00 -2.24 0.13 -5.07 114.28 104.09 1rqs n THR 76 Ca -0.01 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1rqs n THR 76 Cb 0.69 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 3.48 1.80 3.77 3.38 0.00 0.12 -5.01 105.19 112.72 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 3.48 0.43 0.99 1.43 -1.26 -4.95 118.68 118.80 1rqs s LEU 78 Ca 0.00 2.08 -0.24 0.00 -1.03 0.00 0.00 54.13 54.94 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 -1.57 1.05 0.61 0.23 0.00 0.00 176.35 176.67 1rqs n GLY 79 N -0.27 -0.08 0.34 -3.19 0.00 -1.26 -4.58 105.19 96.16 1rqs n GLY 79 Ca 0.11 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.39 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 1.57 -0.57 0.36 0.99 7.12 -1.99 0.16 115.31 122.95 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 1.33 0.51 0.00 0.00 -0.53 0.00 0.00 40.66 41.98 1rqs h LEU 80 CO 0.57 -0.35 -0.18 0.50 -0.13 0.00 0.00 178.44 178.85 1rqs h LYS 81 N 0.01 -0.48 -0.96 1.25 3.64 -1.99 0.04 116.57 118.08 1rqs h LYS 81 Ca 0.57 0.03 0.25 0.00 -1.27 0.00 0.00 60.65 60.23 1rqs h LYS 81 Cb 1.11 0.11 -0.18 0.00 -0.41 0.00 0.00 32.23 32.86 1rqs h LYS 81 CO -0.94 -0.32 -0.01 0.93 -2.27 0.00 0.00 179.45 176.84 1rqs h GLU 82 N -0.50 0.02 -0.24 1.90 4.39 -1.31 0.83 114.58 119.67 1rqs h GLU 82 Ca -0.05 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1rqs h GLU 82 Cb 0.39 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1rqs h GLU 82 CO 0.08 0.02 0.12 0.00 -1.16 0.00 0.00 179.01 178.06 1rqs h ALA 83 N 1.95 0.30 0.32 3.43 0.00 -0.63 0.13 119.26 124.75 1rqs h ALA 83 Ca 0.56 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1rqs h ALA 83 Cb 1.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1rqs h ALA 83 CO -0.90 -0.15 -0.29 -0.22 0.00 0.00 0.00 179.25 177.70 1rqs h LYS 84 N 0.26 -0.60 -0.63 0.00 1.63 0.25 -0.66 116.57 116.81 1rqs h LYS 84 Ca 0.08 0.04 0.09 0.00 -0.85 0.00 0.00 60.65 60.01 1rqs h LYS 84 Cb 0.10 0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 31.80 1rqs h LYS 84 CO -0.01 -0.40 0.27 -0.44 -3.45 0.00 0.00 179.45 175.41 1rqs h ASP 85 N -0.63 0.31 0.04 4.20 5.19 -0.33 0.23 116.42 125.44 1rqs h ASP 85 Ca -0.02 0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.48 1rqs h ASP 85 Cb 0.56 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.06 1rqs h ASP 85 CO -0.04 0.18 -0.23 0.25 -3.12 0.00 0.00 179.24 176.28 1rqs h LEU 86 N 0.47 -0.67 -0.83 1.55 5.85 -0.25 0.57 115.31 122.00 1rqs h LEU 86 Ca 0.31 0.09 0.04 0.00 0.84 0.00 0.00 57.88 59.16 1rqs h LEU 86 Cb 0.35 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1rqs h LEU 86 CO -0.28 -0.31 0.52 0.58 -0.34 0.00 0.00 178.44 178.62 1rqs h VAL 87 N -0.39 1.10 0.00 1.05 2.07 -0.35 0.10 116.25 119.83 1rqs h VAL 87 Ca 0.05 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1rqs h VAL 87 Cb 0.45 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1rqs h VAL 87 CO -0.18 0.18 0.00 -0.62 0.02 0.00 0.00 177.57 176.97 1rqs n GLU 88 N -4.59 0.17 -0.57 1.57 1.02 -0.00 -2.40 120.64 115.83 1rqs n GLU 88 Ca 0.11 0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.38 1rqs n GLU 88 Cb 0.12 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.40 4.48 -4.74 1.62 7.64 0.19 -5.00 113.62 116.40 1rqs n SER 89 Ca 0.09 -2.72 -0.36 0.00 1.01 0.00 0.00 58.87 56.88 1rqs n SER 89 Cb 0.26 -0.55 0.05 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 s ALA 90 N -2.33 2.45 0.60 -0.43 0.00 -1.01 -4.26 121.76 116.78 1rqs s ALA 90 Ca 0.45 1.12 -0.15 0.00 0.00 0.00 0.00 51.96 53.39 1rqs s ALA 90 Cb 0.33 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1rqs s ALA 90 CO 0.16 -1.41 1.05 -1.25 0.00 0.00 0.00 175.76 174.31 1rqs s PRO 91 N -3.36 3.33 -0.10 0.00 0.04 -1.26 -5.09 135.00 128.55 1rqs s PRO 91 Ca 0.80 1.13 -0.24 0.00 0.04 0.00 0.00 61.00 62.73 1rqs s PRO 91 Cb -0.34 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.22 1rqs s PRO 91 CO 0.37 -0.80 0.58 0.00 0.04 0.00 0.00 177.00 177.19 1rqs s ALA 92 N -2.57 -1.47 0.19 8.56 0.00 -0.84 -5.00 121.76 120.62 1rqs s ALA 92 Ca 0.62 1.24 -0.30 0.00 0.00 0.00 0.00 51.96 53.52 1rqs s ALA 92 Cb -0.15 -0.31 -0.08 0.00 0.00 0.00 0.00 23.12 22.58 1rqs s ALA 92 CO 0.39 -0.32 1.13 0.00 0.00 0.00 0.00 175.76 176.96 1rqs s ALA 93 N -0.72 3.39 -0.25 0.00 0.00 -1.26 -0.61 121.76 122.32 1rqs s ALA 93 Ca -0.08 0.87 0.05 0.00 0.00 0.00 0.00 51.96 52.79 1rqs s ALA 93 Cb -0.02 -3.37 -0.18 0.00 0.00 0.00 0.00 23.12 19.54 1rqs s ALA 93 CO 0.06 -0.25 -0.18 1.28 0.00 0.00 0.00 175.76 176.67 1rqs n LEU 94 N 2.25 2.50 -3.84 0.00 4.77 0.42 -4.89 117.00 118.21 1rqs n LEU 94 Ca 0.03 -0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 55.77 1rqs n LEU 94 Cb 0.45 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 40.76 1rqs n LEU 94 CO 0.54 0.87 -0.13 -0.54 -1.33 0.00 0.00 177.39 176.81 1rqs s LYS 95 N -2.52 0.51 -0.08 3.23 1.02 -0.89 -5.00 119.74 116.01 1rqs s LYS 95 Ca -0.31 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.39 1rqs s LYS 95 Cb 0.09 0.22 0.02 0.00 -0.52 0.00 0.00 37.83 37.63 1rqs s LYS 95 CO 0.64 -0.12 -0.12 -1.21 -0.92 0.00 0.00 175.35 173.61 1rqs s GLU 96 N -1.27 1.82 -0.81 1.68 2.02 -1.26 -1.64 118.70 119.24 1rqs s GLU 96 Ca -0.13 -0.43 -0.02 0.00 0.02 0.00 0.00 54.97 54.41 1rqs s GLU 96 Cb -0.07 -1.57 -0.00 0.00 0.10 0.00 0.00 34.13 32.59 1rqs s GLU 96 CO 0.02 -0.04 0.66 0.41 0.02 0.00 0.00 175.26 176.33 1rqs n GLY 97 N 4.09 -1.26 3.56 -1.39 0.00 -1.01 -4.96 105.19 104.23 1rqs n GLY 97 Ca -0.20 0.53 -0.25 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 -3.03 2.38 0.37 1.61 -7.23 0.49 -4.75 120.40 110.23 1rqs s VAL 98 Ca 0.04 -2.16 -0.28 0.00 -1.81 0.00 0.00 61.98 57.76 1rqs s VAL 98 Cb -0.01 -2.66 -0.11 0.00 0.56 0.00 0.00 36.38 34.16 1rqs s VAL 98 CO 0.83 -0.22 1.48 -1.54 -0.31 0.00 0.00 175.10 175.34 1rqs n SER 99 N -0.82 3.73 -0.24 4.85 3.41 -1.26 -2.45 113.62 120.84 1rqs n SER 99 Ca -0.05 1.22 0.03 0.00 -0.26 0.00 0.00 58.87 59.81 1rqs n SER 99 Cb 0.63 -1.61 0.15 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 3.07 0.43 -0.83 4.33 1.63 -1.93 0.17 116.57 123.44 1rqs h LYS 100 Ca -0.50 -0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.37 1rqs h LYS 100 Cb 1.24 -0.10 -0.07 0.00 -0.60 0.00 0.00 32.23 32.70 1rqs h LYS 100 CO 0.65 0.28 0.47 -0.44 -3.45 0.00 0.00 179.45 176.97 1rqs h ASP 101 N 0.44 0.67 -0.03 4.20 3.32 -1.99 0.21 116.42 123.24 1rqs h ASP 101 Ca 0.37 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.34 1rqs h ASP 101 Cb 0.52 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1rqs h ASP 101 CO -0.36 0.38 -0.42 0.44 -1.72 0.00 0.00 179.24 177.55 1rqs h ASP 102 N 0.79 0.59 -0.09 6.45 3.32 -1.40 -0.29 116.42 125.80 1rqs h ASP 102 Ca 0.40 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1rqs h ASP 102 Cb 0.38 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1rqs h ASP 102 CO -0.25 0.94 0.03 0.00 -1.72 0.00 0.00 179.24 178.24 1rqs h ALA 103 N 1.09 0.11 -0.08 3.45 0.00 0.79 -0.61 119.26 124.00 1rqs h ALA 103 Ca 0.04 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1rqs h ALA 103 Cb 0.92 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1rqs h ALA 103 CO 0.08 -0.28 -0.40 1.49 0.00 0.00 0.00 179.25 180.14 1rqs h GLU 104 N -0.04 0.18 -0.01 0.00 4.81 -0.61 -0.14 114.58 118.78 1rqs h GLU 104 Ca 0.03 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1rqs h GLU 104 Cb 0.20 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1rqs h GLU 104 CO -0.00 0.56 0.00 0.00 -0.73 0.00 0.00 179.01 178.84 1rqs h ALA 105 N 1.44 0.01 0.12 2.92 0.00 -0.79 -0.81 119.26 122.15 1rqs h ALA 105 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1rqs h ALA 105 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1rqs h ALA 105 CO 0.06 -0.35 -0.06 1.25 0.00 0.00 0.00 179.25 180.15 1rqs h LEU 106 N -0.27 -0.14 -0.59 0.00 7.12 -0.96 -2.46 115.31 118.02 1rqs h LEU 106 Ca 0.00 -0.22 0.12 0.00 0.13 0.00 0.00 57.88 57.91 1rqs h LEU 106 Cb 0.28 0.04 -0.11 0.00 -0.53 0.00 0.00 40.66 40.33 1rqs h LEU 106 CO 0.00 0.15 -0.12 0.50 -0.13 0.00 0.00 178.44 178.84 1rqs h LYS 107 N -0.44 0.02 -0.98 1.25 3.11 -1.04 0.46 116.57 118.95 1rqs h LYS 107 Ca -0.02 -0.00 0.14 0.00 -2.81 0.00 0.00 60.65 57.96 1rqs h LYS 107 Cb 0.36 -0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 31.50 1rqs h LYS 107 CO 0.03 0.01 0.62 0.87 -2.81 0.00 0.00 179.45 178.17 1rqs h LYS 108 N 0.02 0.86 -0.55 1.90 1.57 -0.98 0.13 116.57 119.51 1rqs h LYS 108 Ca 0.29 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 1rqs h LYS 108 Cb 0.44 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1rqs h LYS 108 CO -0.59 0.57 0.07 0.00 -0.57 0.00 0.00 179.45 178.93 1rqs h ALA 109 N 1.57 0.74 -0.47 3.86 0.00 0.32 0.11 119.26 125.40 1rqs h ALA 109 Ca 0.50 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1rqs h ALA 109 Cb 0.62 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1rqs h ALA 109 CO -0.27 0.50 0.24 -0.07 0.00 0.00 0.00 179.25 179.65 1rqs h LEU 110 N 0.82 0.61 -0.74 0.00 -0.00 0.74 -2.50 115.31 114.24 1rqs h LEU 110 Ca 0.17 -0.12 -0.08 0.00 -0.00 0.00 0.00 57.88 57.85 1rqs h LEU 110 Cb 0.44 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.92 1rqs h LEU 110 CO 0.01 0.55 0.06 -0.33 -0.00 0.00 0.00 178.44 178.74 1rqs h GLU 111 N 0.62 1.02 -0.80 1.13 4.39 -0.45 0.21 114.58 120.69 1rqs h GLU 111 Ca 0.16 -0.28 0.09 0.00 0.34 0.00 0.00 59.36 59.67 1rqs h GLU 111 Cb 0.10 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 1rqs h GLU 111 CO -0.02 0.96 0.52 0.93 -1.16 0.00 0.00 179.01 180.25 1rqs h GLU 112 N 0.95 0.76 0.07 2.33 4.39 -0.49 -1.37 114.58 121.23 1rqs h GLU 112 Ca 0.18 -0.05 -0.27 0.00 0.34 0.00 0.00 59.36 59.57 1rqs h GLU 112 Cb 0.46 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1rqs h GLU 112 CO 0.02 0.50 -1.31 0.00 -1.16 0.00 0.00 179.01 177.06 1rqs h ALA 113 N 1.59 0.30 0.00 3.43 0.00 -0.95 -3.49 119.26 120.14 1rqs h ALA 113 Ca 0.36 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1rqs h ALA 113 Cb 0.38 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1rqs h ALA 113 CO -0.14 1.17 0.00 0.41 0.00 0.00 0.00 179.25 180.70 1rqs n GLY 114 N 1.52 0.82 3.47 0.00 0.00 0.63 -4.74 105.19 106.89 1rqs n GLY 114 Ca -0.09 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.67 2.50 -0.24 4.61 0.00 -0.54 -4.03 121.76 122.39 1rqs s ALA 115 Ca 0.00 -1.95 -0.06 0.00 0.00 0.00 0.00 51.96 49.94 1rqs s ALA 115 Cb 0.00 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 1rqs s ALA 115 CO 0.00 -0.30 0.04 -2.00 0.00 0.00 0.00 175.76 173.51 1rqs s GLU 116 N -3.87 3.61 0.30 0.00 2.12 0.43 -4.50 118.70 116.79 1rqs s GLU 116 Ca 0.35 -0.50 0.09 0.00 0.36 0.00 0.00 54.97 55.26 1rqs s GLU 116 Cb 0.08 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.19 1rqs s GLU 116 CO 0.15 -0.16 0.03 0.08 -0.54 0.00 0.00 175.26 174.82 1rqs s VAL 117 N 1.49 3.13 -0.03 3.70 1.01 -1.26 -2.28 120.40 126.15 1rqs s VAL 117 Ca 0.06 -1.89 0.01 0.00 0.00 0.00 0.00 61.98 60.15 1rqs s VAL 117 Cb -0.15 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1rqs s VAL 117 CO 0.02 -0.29 -0.03 -0.70 0.00 0.00 0.00 175.10 174.10 1rqs s GLU 118 N -3.72 0.55 -0.20 2.72 2.12 -0.27 -4.85 118.70 115.06 1rqs s GLU 118 Ca 0.34 -0.05 -0.05 0.00 0.36 0.00 0.00 54.97 55.57 1rqs s GLU 118 Cb -0.04 -0.62 -0.02 0.00 0.26 0.00 0.00 34.13 33.71 1rqs s GLU 118 CO 0.20 -0.07 -0.01 0.08 -0.54 0.00 0.00 175.26 174.93 1rqs s VAL 119 N 0.78 3.90 0.00 3.70 1.01 -1.26 -0.57 120.40 127.95 1rqs s VAL 119 Ca -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1rqs s VAL 119 Cb -0.12 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.50 1rqs s VAL 119 CO -0.01 0.43 0.44 1.17 0.00 0.00 0.00 175.10 177.13