#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 0.52 -2.18 0.00 0.00 -1.26 -5.13 120.51 112.46 1rqs n ALA 48 Ca 0.00 -2.40 -0.20 0.00 0.00 0.00 0.00 53.44 50.84 1rqs n ALA 48 Cb 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.49 2.64 -0.30 0.00 8.01 -1.26 -5.08 118.70 122.22 1rqs s GLU 49 Ca 0.33 -1.43 -0.24 0.00 0.01 0.00 0.00 54.97 53.64 1rqs s GLU 49 Cb 0.24 -2.50 0.00 0.00 -4.31 0.00 0.00 34.13 27.56 1rqs s GLU 49 CO -0.15 -0.19 0.80 -1.21 0.01 0.00 0.00 175.26 174.52 1rqs s GLU 50 N -4.19 3.97 -0.61 1.61 2.02 -1.26 -5.00 118.70 115.25 1rqs s GLU 50 Ca 0.50 0.61 -0.15 0.00 0.02 0.00 0.00 54.97 55.95 1rqs s GLU 50 Cb -0.05 -3.72 0.15 0.00 0.10 0.00 0.00 34.13 30.60 1rqs s GLU 50 CO 0.29 -0.68 0.55 0.21 0.02 0.00 0.00 175.26 175.66 1rqs s LYS 51 N 2.97 3.09 0.00 1.61 2.20 -1.26 -4.78 119.74 123.57 1rqs s LYS 51 Ca 0.33 -1.91 0.05 0.00 -0.36 0.00 0.00 55.97 54.07 1rqs s LYS 51 Cb -0.14 -4.29 -0.04 0.00 -1.51 0.00 0.00 37.83 31.85 1rqs s LYS 51 CO 0.12 -1.31 0.28 0.25 -0.36 0.00 0.00 175.35 174.34 1rqs n THR 52 N 4.88 0.00 -2.82 3.43 -2.24 -1.26 -4.95 114.28 111.32 1rqs n THR 52 Ca -0.06 -0.41 -0.43 0.00 -2.27 0.00 0.00 64.05 60.88 1rqs n THR 52 Cb 0.42 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.63 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 -1.27 3.56 0.32 -0.78 2.02 -1.26 -2.86 118.70 118.42 1rqs s GLU 53 Ca 0.03 0.20 0.09 0.00 0.02 0.00 0.00 54.97 55.30 1rqs s GLU 53 Cb 0.04 -3.92 -0.05 0.00 0.10 0.00 0.00 34.13 30.30 1rqs s GLU 53 CO 0.17 -1.20 -0.02 -0.06 0.02 0.00 0.00 175.26 174.16 1rqs s PHE 54 N 3.74 2.52 -0.08 1.61 0.08 -0.88 -4.70 117.98 120.27 1rqs s PHE 54 Ca 0.37 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.98 1rqs s PHE 54 Cb -0.10 -1.39 -0.04 0.00 -0.57 0.00 0.00 43.02 40.92 1rqs s PHE 54 CO 0.26 0.53 0.08 -0.51 -0.10 0.00 0.00 175.22 175.48 1rqs s ASP 55 N -3.68 5.83 -0.35 1.36 1.01 0.51 -0.24 116.67 121.12 1rqs s ASP 55 Ca 0.34 0.29 -0.08 0.00 0.71 0.00 0.00 52.55 53.80 1rqs s ASP 55 Cb -0.01 -1.77 0.03 0.00 1.01 0.00 0.00 42.92 42.18 1rqs s ASP 55 CO 0.19 0.37 0.14 -0.69 0.21 0.00 0.00 175.17 175.39 1rqs s VAL 56 N -1.02 4.14 0.06 -1.27 1.01 -0.55 -2.37 120.40 120.40 1rqs s VAL 56 Ca 0.16 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1rqs s VAL 56 Cb -0.12 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1rqs s VAL 56 CO 0.06 -0.16 -0.00 -0.63 0.00 0.00 0.00 175.10 174.37 1rqs s ILE 57 N 1.48 4.03 -0.31 2.22 1.01 -0.05 -0.74 121.20 128.85 1rqs s ILE 57 Ca 0.01 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 1rqs s ILE 57 Cb -0.19 -2.88 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 1rqs s ILE 57 CO 0.04 0.20 0.14 -0.22 0.00 0.00 0.00 174.94 175.10 1rqs s LEU 58 N -2.05 4.07 -0.12 2.97 1.98 0.14 -1.56 118.68 124.12 1rqs s LEU 58 Ca 0.24 -0.60 -0.06 0.00 -2.89 0.00 0.00 54.13 50.82 1rqs s LEU 58 Cb -0.12 -1.97 -0.02 0.00 0.66 0.00 0.00 46.19 44.74 1rqs s LEU 58 CO 0.16 -0.20 -0.12 0.11 -1.89 0.00 0.00 176.35 174.40 1rqs h LYS 59 N 8.32 0.00 -3.72 1.98 1.57 -1.72 -2.39 116.57 120.61 1rqs h LYS 59 Ca -0.32 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.10 1rqs h LYS 59 Cb 1.14 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.10 1rqs h LYS 59 CO 0.61 0.00 -0.75 0.00 -0.57 0.00 0.00 179.45 178.74 1rqs s ALA 60 N -2.73 0.41 0.40 3.86 0.00 -1.02 -4.33 121.76 118.35 1rqs s ALA 60 Ca -0.10 0.10 0.23 0.00 0.00 0.00 0.00 51.96 52.19 1rqs s ALA 60 Cb 0.01 -0.42 1.24 0.00 0.00 0.00 0.00 23.12 23.96 1rqs s ALA 60 CO 0.15 -0.15 2.01 0.00 0.00 0.00 0.00 175.76 177.76 1rqs h ALA 61 N 7.50 1.35 -0.09 0.00 0.00 -1.91 0.12 119.26 126.23 1rqs h ALA 61 Ca -0.36 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1rqs h ALA 61 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1rqs h ALA 61 CO 0.42 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1rqs n GLY 62 N -0.66 -1.18 1.85 0.00 0.00 -1.26 -3.84 105.19 100.10 1rqs n GLY 62 Ca -0.02 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 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 2.27 4.92 -2.83 4.61 0.00 -1.26 -4.08 120.51 124.14 1rqs n ALA 63 Ca 0.00 -1.74 -0.11 0.00 0.00 0.00 0.00 53.44 51.60 1rqs n ALA 63 Cb 0.00 -1.36 0.06 0.00 0.00 0.00 0.00 19.45 18.15 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 0.07 -1.30 0.26 0.00 4.05 -1.25 -4.95 115.26 112.14 1rqs n ASN 64 Ca 0.33 -3.31 0.11 0.00 0.45 0.00 0.00 54.58 52.16 1rqs n ASN 64 Cb 0.73 1.05 0.70 0.00 1.23 0.00 0.00 39.78 43.49 1rqs n ASN 64 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 1rqs h LYS 65 N 2.86 0.00 -0.34 1.20 3.64 -1.76 -1.87 116.57 120.30 1rqs h LYS 65 Ca -0.08 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1rqs h LYS 65 Cb 1.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1rqs h LYS 65 CO 0.21 0.12 0.09 0.28 -2.27 0.00 0.00 179.45 177.87 1rqs h VAL 66 N 0.00 1.22 -0.26 2.00 2.07 -1.94 0.61 116.25 119.96 1rqs h VAL 66 Ca -0.00 -0.74 -0.14 0.00 0.82 0.00 0.00 66.70 66.65 1rqs h VAL 66 Cb 0.27 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1rqs h VAL 66 CO 0.01 0.25 -0.37 0.00 0.02 0.00 0.00 177.57 177.48 1rqs h ALA 67 N 0.92 0.40 0.71 1.67 0.00 -1.81 -2.72 119.26 118.43 1rqs h ALA 67 Ca 0.11 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1rqs h ALA 67 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1rqs h ALA 67 CO 0.00 0.48 -0.45 0.28 0.00 0.00 0.00 179.25 179.56 1rqs h VAL 68 N 0.44 0.10 -1.01 0.00 2.07 -1.21 0.48 116.25 117.12 1rqs h VAL 68 Ca 0.03 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.79 1rqs h VAL 68 Cb 0.96 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.73 1rqs h VAL 68 CO 0.09 0.00 0.65 0.40 0.02 0.00 0.00 177.57 178.73 1rqs h ILE 69 N -1.10 0.57 0.27 4.57 2.04 -0.91 0.40 117.51 123.35 1rqs h ILE 69 Ca -0.09 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 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 0.08 0.08 -0.13 0.11 0.00 0.00 0.00 178.15 178.30 1rqs h LYS 70 N 0.44 -0.35 -0.86 2.37 1.57 -1.06 -0.55 116.57 118.13 1rqs h LYS 70 Ca 0.57 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.49 1rqs h LYS 70 Cb 1.38 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.69 1rqs h LYS 70 CO -0.29 -0.06 0.50 0.00 -0.57 0.00 0.00 179.45 179.02 1rqs h ALA 71 N 0.02 1.26 -0.13 3.86 0.00 0.17 0.28 119.26 124.73 1rqs h ALA 71 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rqs h ALA 71 Cb 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rqs h ALA 71 CO 0.06 0.08 0.00 0.28 0.00 0.00 0.00 179.25 179.67 1rqs n VAL 72 N -4.74 0.00 -0.36 0.00 0.31 0.10 -0.29 118.33 113.35 1rqs n VAL 72 Ca 0.15 1.48 0.32 0.00 -0.01 0.00 0.00 64.34 66.28 1rqs n VAL 72 Cb 0.32 -2.47 0.65 0.00 -0.91 0.00 0.00 33.84 31.43 1rqs n VAL 72 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1rqs h ARG 73 N 0.00 0.15 -0.12 5.55 3.08 -0.90 0.86 114.38 123.00 1rqs h ARG 73 Ca 0.00 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 1rqs h ARG 73 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1rqs h ARG 73 CO 0.00 0.10 -0.63 0.78 -1.07 0.00 0.00 179.97 179.15 1rqs h GLY 74 N 0.16 0.47 1.51 0.04 0.00 -0.15 0.46 103.07 105.57 1rqs h GLY 74 Ca 0.63 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 1rqs h GLY 74 CO -0.18 0.54 -0.79 0.00 0.00 0.00 0.00 176.54 176.12 1rqs h ALA 75 N 1.00 0.69 -2.03 3.60 0.00 0.36 -3.43 119.26 119.45 1rqs h ALA 75 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1rqs h ALA 75 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1rqs h ALA 75 CO 0.11 0.50 0.00 0.25 0.00 0.00 0.00 179.25 180.11 1rqs n THR 76 N -3.00 0.00 0.00 0.00 -2.24 0.11 -5.07 114.28 104.07 1rqs n THR 76 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1rqs n THR 76 Cb 0.70 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 3.83 1.91 3.77 3.38 0.00 0.16 -4.99 105.19 113.24 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 3.49 0.47 0.99 1.43 -1.26 -4.95 118.68 118.84 1rqs s LEU 78 Ca 0.00 2.09 -0.23 0.00 -1.03 0.00 0.00 54.13 54.97 1rqs s LEU 78 Cb 0.00 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.57 1rqs s LEU 78 CO 0.00 -1.58 1.02 0.61 0.23 0.00 0.00 176.35 176.63 1rqs n GLY 79 N -0.22 -0.18 0.35 -3.19 0.00 -1.26 -4.55 105.19 96.14 1rqs n GLY 79 Ca 0.11 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 1.33 -0.72 0.34 0.99 5.85 -1.99 0.22 115.31 121.33 1rqs h LEU 80 Ca -0.46 0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1rqs h LEU 80 Cb 1.34 0.56 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1rqs h LEU 80 CO 0.55 -0.34 -0.17 0.50 -0.34 0.00 0.00 178.44 178.65 1rqs h LYS 81 N 0.00 -0.44 -0.95 1.25 1.63 -1.99 0.04 116.57 116.10 1rqs h LYS 81 Ca 0.53 0.03 0.23 0.00 -0.85 0.00 0.00 60.65 60.59 1rqs h LYS 81 Cb 0.96 0.10 -0.18 0.00 -0.60 0.00 0.00 32.23 32.51 1rqs h LYS 81 CO -0.97 -0.30 -0.07 0.93 -3.45 0.00 0.00 179.45 175.59 1rqs h GLU 82 N -0.46 0.02 -0.27 1.90 4.39 -1.41 0.75 114.58 119.50 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 0.01 0.15 0.00 -1.16 0.00 0.00 179.01 178.09 1rqs h ALA 83 N 1.94 0.35 0.23 3.43 0.00 -0.51 0.11 119.26 124.81 1rqs h ALA 83 Ca 0.53 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1rqs h ALA 83 Cb 0.99 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1rqs h ALA 83 CO -0.92 -0.13 -0.29 -0.22 0.00 0.00 0.00 179.25 177.69 1rqs h LYS 84 N 0.33 -0.55 -0.33 0.00 1.63 0.24 -1.28 116.57 116.61 1rqs h LYS 84 Ca 0.10 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.99 1rqs h LYS 84 Cb 0.04 0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.75 1rqs h LYS 84 CO -0.02 -0.37 0.03 -0.44 -3.45 0.00 0.00 179.45 175.21 1rqs h ASP 85 N -0.57 -0.07 -0.13 4.20 5.19 -0.50 0.14 116.42 124.67 1rqs h ASP 85 Ca 0.00 0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.51 1rqs h ASP 85 Cb 0.55 0.11 -0.07 0.00 0.18 0.00 0.00 39.33 40.10 1rqs h ASP 85 CO -0.10 0.00 -0.52 0.25 -3.12 0.00 0.00 179.24 175.75 1rqs h LEU 86 N 0.13 -1.66 -1.04 1.55 6.46 -0.37 0.55 115.31 120.93 1rqs h LEU 86 Ca 0.16 0.20 0.04 0.00 -0.12 0.00 0.00 57.88 58.15 1rqs h LEU 86 Cb 0.20 0.65 -0.06 0.00 -0.73 0.00 0.00 40.66 40.73 1rqs h LEU 86 CO -0.24 -0.48 0.64 0.58 -0.62 0.00 0.00 178.44 178.32 1rqs h VAL 87 N -0.57 1.17 0.00 1.05 2.07 -0.77 0.14 116.25 119.34 1rqs h VAL 87 Ca 0.04 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1rqs h VAL 87 Cb 0.68 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1rqs h VAL 87 CO -0.43 0.23 0.00 -0.62 0.02 0.00 0.00 177.57 176.76 1rqs n GLU 88 N -4.44 0.20 -0.65 1.57 -0.58 0.44 -1.86 120.64 115.33 1rqs n GLU 88 Ca 0.13 0.40 0.06 0.00 -0.42 0.00 0.00 57.16 57.34 1rqs n GLU 88 Cb 0.09 -1.86 0.30 0.00 -0.57 0.00 0.00 31.44 29.40 1rqs n GLU 88 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1rqs n SER 89 N -2.24 4.43 -4.67 1.62 7.64 0.18 -5.01 113.62 115.58 1rqs n SER 89 Ca 0.02 -3.06 -0.36 0.00 1.01 0.00 0.00 58.87 56.49 1rqs n SER 89 Cb 0.25 -0.61 0.08 0.00 -1.01 0.00 0.00 64.21 62.92 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 -0.20 0.31 -1.59 -0.43 0.00 -0.77 -4.41 120.51 113.42 1rqs n ALA 90 Ca 0.26 -0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 1rqs n ALA 90 Cb 1.03 -2.21 0.04 0.00 0.00 0.00 0.00 19.45 18.32 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 -3.42 3.00 -0.11 0.00 0.04 -1.26 -5.09 135.00 128.15 1rqs s PRO 91 Ca 0.77 0.98 -0.21 0.00 0.04 0.00 0.00 61.00 62.58 1rqs s PRO 91 Cb -0.36 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.24 1rqs s PRO 91 CO 0.46 -1.05 0.51 0.00 0.04 0.00 0.00 177.00 176.96 1rqs s ALA 92 N -2.98 -1.30 0.24 8.56 0.00 -0.90 -5.00 121.76 120.37 1rqs s ALA 92 Ca 0.59 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 53.40 1rqs s ALA 92 Cb -0.14 -0.41 -0.09 0.00 0.00 0.00 0.00 23.12 22.49 1rqs s ALA 92 CO 0.53 -0.28 1.05 0.00 0.00 0.00 0.00 175.76 177.06 1rqs s ALA 93 N -0.51 3.37 -0.10 0.00 0.00 -1.26 -0.68 121.76 122.58 1rqs s ALA 93 Ca -0.06 0.79 0.08 0.00 0.00 0.00 0.00 51.96 52.77 1rqs s ALA 93 Cb -0.03 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.67 1rqs s ALA 93 CO 0.04 -0.07 0.01 1.28 0.00 0.00 0.00 175.76 177.03 1rqs n LEU 94 N 1.61 0.40 -3.82 0.00 4.32 0.08 -4.90 117.00 114.70 1rqs n LEU 94 Ca -0.00 -0.01 -0.12 0.00 -0.02 0.00 0.00 56.01 55.86 1rqs n LEU 94 Cb 0.46 0.15 -0.10 0.00 -1.62 0.00 0.00 43.42 42.32 1rqs n LEU 94 CO 0.53 0.31 -0.09 -0.54 -1.22 0.00 0.00 177.39 176.38 1rqs s LYS 95 N -2.25 0.52 -0.10 3.23 1.02 -0.88 -4.95 119.74 116.33 1rqs s LYS 95 Ca -0.07 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 55.74 1rqs s LYS 95 Cb 0.03 0.23 0.01 0.00 -0.52 0.00 0.00 37.83 37.57 1rqs s LYS 95 CO 0.40 -0.13 -0.20 -1.21 -0.92 0.00 0.00 175.35 173.29 1rqs s GLU 96 N -1.14 2.61 -0.55 1.68 2.02 -1.26 -1.49 118.70 120.57 1rqs s GLU 96 Ca -0.12 -0.72 -0.28 0.00 0.02 0.00 0.00 54.97 53.86 1rqs s GLU 96 Cb -0.06 -2.05 0.04 0.00 0.10 0.00 0.00 34.13 32.17 1rqs s GLU 96 CO 0.02 0.08 0.65 0.41 0.02 0.00 0.00 175.26 176.45 1rqs n GLY 97 N 3.76 -0.27 3.55 -1.39 0.00 -1.10 -4.93 105.19 104.82 1rqs n GLY 97 Ca -0.20 1.03 -0.26 0.00 0.00 0.00 0.00 46.02 46.59 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 -1.91 2.34 0.41 1.61 -7.23 0.67 -4.79 120.40 111.50 1rqs s VAL 98 Ca 0.28 -2.18 -0.26 0.00 -1.81 0.00 0.00 61.98 58.01 1rqs s VAL 98 Cb -0.03 -2.65 -0.10 0.00 0.56 0.00 0.00 36.38 34.16 1rqs s VAL 98 CO 0.88 -0.22 1.34 -1.54 -0.31 0.00 0.00 175.10 175.24 1rqs n SER 99 N -0.81 2.90 -0.24 4.85 3.41 -1.26 -2.06 113.62 120.41 1rqs n SER 99 Ca -0.05 1.14 0.02 0.00 -0.26 0.00 0.00 58.87 59.72 1rqs n SER 99 Cb 0.63 -1.54 0.14 0.00 -0.26 0.00 0.00 64.21 63.18 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 2.29 0.53 -1.00 4.33 3.64 -1.90 0.20 116.57 124.67 1rqs h LYS 100 Ca -0.49 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 58.97 1rqs h LYS 100 Cb 1.28 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 1rqs h LYS 100 CO 0.61 0.35 0.63 -0.44 -2.27 0.00 0.00 179.45 178.33 1rqs h ASP 101 N 0.54 0.94 0.44 4.20 3.32 -1.89 0.18 116.42 124.14 1rqs h ASP 101 Ca 0.35 0.04 -0.16 0.00 0.02 0.00 0.00 57.03 57.28 1rqs h ASP 101 Cb 0.40 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1rqs h ASP 101 CO -0.29 0.52 -0.67 0.44 -1.72 0.00 0.00 179.24 177.52 1rqs h ASP 102 N 1.02 0.24 -0.05 6.45 3.32 -1.38 -1.32 116.42 124.69 1rqs h ASP 102 Ca 0.48 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 1rqs h ASP 102 Cb 0.43 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1rqs h ASP 102 CO -0.24 0.83 0.01 0.00 -1.72 0.00 0.00 179.24 178.12 1rqs h ALA 103 N 1.16 0.07 0.00 3.45 0.00 0.88 -0.56 119.26 124.26 1rqs h ALA 103 Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1rqs h ALA 103 Cb 1.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1rqs h ALA 103 CO 0.10 -0.31 -0.41 0.93 0.00 0.00 0.00 179.25 179.56 1rqs h GLU 104 N -0.14 0.00 0.05 0.00 3.07 -0.99 -0.15 114.58 116.42 1rqs h GLU 104 Ca 0.02 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1rqs h GLU 104 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1rqs h GLU 104 CO 0.00 0.41 -0.03 0.00 -1.40 0.00 0.00 179.01 178.00 1rqs h ALA 105 N 1.59 -0.07 -0.30 3.43 0.00 -0.95 -0.20 119.26 122.75 1rqs h ALA 105 Ca -0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1rqs h ALA 105 Cb 0.83 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1rqs h ALA 105 CO 0.05 -0.34 -0.06 1.25 0.00 0.00 0.00 179.25 180.15 1rqs h LEU 106 N -0.47 0.58 -0.20 0.00 7.12 -1.01 -2.59 115.31 118.74 1rqs h LEU 106 Ca -0.01 -0.36 0.04 0.00 0.13 0.00 0.00 57.88 57.69 1rqs h LEU 106 Cb 0.42 -0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.35 1rqs h LEU 106 CO 0.01 0.80 -0.07 0.50 -0.13 0.00 0.00 178.44 179.56 1rqs h LYS 107 N 0.35 -0.02 -0.98 1.25 3.64 -1.04 -0.80 116.57 118.97 1rqs h LYS 107 Ca 0.08 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.60 1rqs h LYS 107 Cb 0.55 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.28 1rqs h LYS 107 CO 0.03 -0.02 0.60 0.87 -2.27 0.00 0.00 179.45 178.66 1rqs h LYS 108 N -0.02 0.86 -0.53 1.90 1.79 -0.91 0.16 116.57 119.82 1rqs h LYS 108 Ca 0.10 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 1rqs h LYS 108 Cb 0.18 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1rqs h LYS 108 CO -0.22 0.57 0.05 0.00 -1.08 0.00 0.00 179.45 178.77 1rqs h ALA 109 N 1.57 0.70 -0.37 3.86 0.00 -0.80 0.22 119.26 124.44 1rqs h ALA 109 Ca 0.51 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1rqs h ALA 109 Cb 0.62 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1rqs h ALA 109 CO -0.31 0.48 0.13 -0.07 0.00 0.00 0.00 179.25 179.48 1rqs h LEU 110 N 0.78 0.53 -0.80 0.00 -0.00 0.25 -2.56 115.31 113.51 1rqs h LEU 110 Ca 0.16 -0.19 -0.07 0.00 -0.00 0.00 0.00 57.88 57.78 1rqs h LEU 110 Cb 0.46 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.95 1rqs h LEU 110 CO 0.02 0.58 0.14 -0.33 -0.00 0.00 0.00 178.44 178.84 1rqs h GLU 111 N 0.45 1.04 -0.77 1.13 5.08 -0.42 0.20 114.58 121.28 1rqs h GLU 111 Ca 0.12 -0.25 0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1rqs h GLU 111 Cb 0.23 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1rqs h GLU 111 CO -0.01 0.94 0.51 0.93 -1.00 0.00 0.00 179.01 180.38 1rqs h GLU 112 N 0.99 0.71 0.00 2.33 4.39 -0.34 -0.38 114.58 122.27 1rqs h GLU 112 Ca 0.20 -0.04 -0.20 0.00 0.34 0.00 0.00 59.36 59.66 1rqs h GLU 112 Cb 0.38 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1rqs h GLU 112 CO 0.01 0.47 -0.99 0.00 -1.16 0.00 0.00 179.01 177.33 1rqs h ALA 113 N 1.60 0.44 0.00 3.43 0.00 -0.95 -3.48 119.26 120.31 1rqs h ALA 113 Ca 0.35 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1rqs h ALA 113 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1rqs h ALA 113 CO -0.13 1.18 0.00 0.41 0.00 0.00 0.00 179.25 180.71 1rqs n GLY 114 N 1.35 1.42 3.95 0.00 0.00 0.04 -4.75 105.19 107.19 1rqs n GLY 114 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.23 4.61 0.00 0.47 -4.60 121.76 123.64 1rqs s ALA 115 Ca 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 1rqs s ALA 115 Cb 0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 1rqs s ALA 115 CO 0.00 -0.71 0.04 -2.00 0.00 0.00 0.00 175.76 173.09 1rqs s GLU 116 N -4.81 3.65 0.28 0.00 2.12 0.42 -4.23 118.70 116.14 1rqs s GLU 116 Ca 0.54 -0.49 0.08 0.00 0.36 0.00 0.00 54.97 55.46 1rqs s GLU 116 Cb -0.10 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 1rqs s GLU 116 CO 0.40 -0.09 0.10 0.08 -0.54 0.00 0.00 175.26 175.22 1rqs s VAL 117 N 1.30 3.68 -0.03 3.70 1.01 -1.26 -2.13 120.40 126.68 1rqs s VAL 117 Ca 0.04 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.34 1rqs s VAL 117 Cb -0.15 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.20 1rqs s VAL 117 CO 0.02 -0.32 0.02 -0.70 0.00 0.00 0.00 175.10 174.12 1rqs s GLU 118 N -3.78 0.10 -0.22 2.72 2.56 -0.60 -4.82 118.70 114.65 1rqs s GLU 118 Ca 0.34 0.15 -0.07 0.00 0.00 0.00 0.00 54.97 55.38 1rqs s GLU 118 Cb -0.06 -0.36 -0.04 0.00 2.00 0.00 0.00 34.13 35.67 1rqs s GLU 118 CO 0.22 -0.16 0.07 0.08 -0.56 0.00 0.00 175.26 174.91 1rqs s VAL 119 N 1.11 4.56 0.00 3.70 1.01 -1.26 -0.87 120.40 128.65 1rqs s VAL 119 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1rqs s VAL 119 Cb -0.13 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1rqs s VAL 119 CO -0.03 0.38 0.14 0.29 0.00 0.00 0.00 175.10 175.89