#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqy s SER 2 N 0.00 -0.30 0.04 1.61 0.15 -1.26 -5.19 113.70 108.75 2cqy s SER 2 Ca 0.00 0.16 -0.27 0.00 0.70 0.00 0.00 55.95 56.54 2cqy s SER 2 Cb 0.00 0.29 0.10 0.00 -1.71 0.00 0.00 66.02 64.69 2cqy s SER 2 CO 0.00 -0.40 1.21 -0.55 1.20 0.00 0.00 173.24 174.70 2cqy s SER 3 N -1.80 -0.02 0.00 5.45 0.15 -1.26 -5.19 113.70 111.03 2cqy s SER 3 Ca 0.03 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2cqy s SER 3 Cb -0.01 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2cqy s SER 3 CO -0.04 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2cqy n GLY 4 N -0.72 4.18 3.79 9.45 0.00 -1.26 -5.19 105.19 115.44 2cqy n GLY 4 Ca -0.02 -0.98 -0.00 0.00 0.00 0.00 0.00 46.02 45.01 2cqy n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqy s SER 5 N 0.00 -0.05 0.16 1.61 0.15 -1.26 -5.19 113.70 109.12 2cqy s SER 5 Ca 0.00 -0.34 -0.24 0.00 0.70 0.00 0.00 55.95 56.07 2cqy s SER 5 Cb 0.00 0.31 0.07 0.00 -1.71 0.00 0.00 66.02 64.69 2cqy s SER 5 CO 0.00 -0.59 1.00 -0.94 1.20 0.00 0.00 173.24 173.92 2cqy s SER 6 N -3.26 -0.10 0.00 5.45 1.04 -1.26 -5.17 113.70 110.40 2cqy s SER 6 Ca 0.19 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2cqy s SER 6 Cb 0.01 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2cqy s SER 6 CO 0.00 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2cqy n GLY 7 N -0.56 4.00 3.76 7.32 0.00 -1.26 -5.18 105.19 113.27 2cqy n GLY 7 Ca -0.05 -1.22 -0.03 0.00 0.00 0.00 0.00 46.02 44.71 2cqy n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cqy s ASP 8 N 0.00 -0.15 -0.00 1.61 1.01 -1.26 -5.17 116.67 112.71 2cqy s ASP 8 Ca 0.00 -0.43 0.06 0.00 0.71 0.00 0.00 52.55 52.89 2cqy s ASP 8 Cb 0.00 0.47 -0.03 0.00 1.01 0.00 0.00 42.92 44.38 2cqy s ASP 8 CO 0.00 -0.88 -0.16 -0.54 0.21 0.00 0.00 175.17 173.79 2cqy s LYS 9 N -3.10 2.28 -0.09 8.23 -0.14 -1.26 -5.12 119.74 120.54 2cqy s LYS 9 Ca 0.13 -0.84 0.02 0.00 -1.36 0.00 0.00 55.97 53.92 2cqy s LYS 9 Cb -0.01 -2.27 0.01 0.00 -1.68 0.00 0.00 37.83 33.88 2cqy s LYS 9 CO 0.02 0.58 -0.16 0.42 -0.76 0.00 0.00 175.35 175.46 2cqy s ILE 10 N -0.82 1.44 -0.02 2.17 1.01 -1.26 -5.13 121.20 118.59 2cqy s ILE 10 Ca 0.13 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 2cqy s ILE 10 Cb -0.11 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.08 2cqy s ILE 10 CO 0.03 0.42 0.14 -1.61 0.00 0.00 0.00 174.94 173.93 2cqy s GLU 11 N 0.70 0.39 -0.30 2.79 0.41 -1.26 -5.14 118.70 116.28 2cqy s GLU 11 Ca -0.13 -0.20 -0.03 0.00 -0.41 0.00 0.00 54.97 54.20 2cqy s GLU 11 Cb -0.16 0.17 0.18 0.00 -1.78 0.00 0.00 34.13 32.53 2cqy s GLU 11 CO 0.03 -0.08 0.60 -1.54 -0.49 0.00 0.00 175.26 173.78 2cqy s SER 12 N -0.91 -1.29 -0.13 -0.19 1.04 -1.26 -5.14 113.70 105.82 2cqy s SER 12 Ca -0.10 0.99 -0.04 0.00 0.48 0.00 0.00 55.95 57.28 2cqy s SER 12 Cb -0.06 2.16 0.06 0.00 0.10 0.00 0.00 66.02 68.28 2cqy s SER 12 CO 0.01 -0.25 0.20 -0.75 0.98 0.00 0.00 173.24 173.43 2cqy s LYS 13 N 2.86 0.10 0.16 4.02 2.36 -1.26 -5.15 119.74 122.82 2cqy s LYS 13 Ca 0.15 0.53 0.05 0.00 -2.55 0.00 0.00 55.97 54.16 2cqy s LYS 13 Cb -0.14 -0.43 -0.04 0.00 -1.05 0.00 0.00 37.83 36.17 2cqy s LYS 13 CO -0.20 -0.38 -0.12 -0.51 1.55 0.00 0.00 175.35 175.69 2cqy s LEU 14 N 2.34 2.52 -0.15 5.43 1.43 -1.26 -5.16 118.68 123.83 2cqy s LEU 14 Ca 0.03 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 52.04 2cqy s LEU 14 Cb -0.13 -0.45 0.05 0.00 0.03 0.00 0.00 46.19 45.69 2cqy s LEU 14 CO -0.08 -0.27 0.39 -0.76 0.23 0.00 0.00 176.35 175.86 2cqy s LEU 15 N -3.11 0.23 -0.21 1.79 1.43 -1.26 -5.14 118.68 112.42 2cqy s LEU 15 Ca 0.17 0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 54.04 2cqy s LEU 15 Cb 0.01 1.29 0.07 0.00 0.03 0.00 0.00 46.19 47.59 2cqy s LEU 15 CO 0.02 -0.16 0.07 0.00 0.23 0.00 0.00 176.35 176.51 2cqy s ALA 16 N 0.83 0.76 -0.13 4.21 0.00 -1.26 -5.11 121.76 121.07 2cqy s ALA 16 Ca -0.05 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 2cqy s ALA 16 Cb -0.06 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 21.90 2cqy s ALA 16 CO -0.06 -1.28 -0.09 0.21 0.00 0.00 0.00 175.76 174.55 2cqy s LYS 17 N 1.99 1.66 -1.42 0.00 2.20 -1.26 -4.84 119.74 118.07 2cqy s LYS 17 Ca 0.02 -0.35 -0.11 0.00 -0.36 0.00 0.00 55.97 55.18 2cqy s LYS 17 Cb -0.17 -1.75 0.01 0.00 -1.51 0.00 0.00 37.83 34.42 2cqy s LYS 17 CO -0.14 -0.28 0.20 1.17 -0.36 0.00 0.00 175.35 175.94 2cqy n LYS 18 N 4.90 -0.72 -3.87 4.03 4.81 -1.26 -4.91 118.16 121.13 2cqy n LYS 18 Ca -0.13 0.07 -0.31 0.00 -0.87 0.00 0.00 58.31 57.07 2cqy n LYS 18 Cb 0.50 -3.16 -0.04 0.00 0.02 0.00 0.00 35.03 32.35 2cqy n LYS 18 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2cqy s ALA 19 N -4.12 3.96 0.29 3.14 0.00 -1.26 -5.07 121.76 118.70 2cqy s ALA 19 Ca 0.15 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.04 2cqy s ALA 19 Cb -0.08 -1.89 -0.10 0.00 0.00 0.00 0.00 23.12 21.05 2cqy s ALA 19 CO 0.97 0.79 1.32 -1.83 0.00 0.00 0.00 175.76 177.01 2cqy s GLU 20 N -2.44 4.36 0.00 0.00 -1.05 -1.26 -4.92 118.70 113.39 2cqy s GLU 20 Ca 0.35 2.18 0.07 0.00 -0.15 0.00 0.00 54.97 57.42 2cqy s GLU 20 Cb -0.13 -3.11 0.03 0.00 -0.44 0.00 0.00 34.13 30.49 2cqy s GLU 20 CO 0.26 -0.22 0.64 1.33 0.95 0.00 0.00 175.26 178.21 2cqy n VAL 21 N 1.44 0.00 -3.81 1.83 0.24 -1.26 -4.90 118.33 111.87 2cqy n VAL 21 Ca 0.02 -0.47 -0.30 0.00 -2.04 0.00 0.00 64.34 61.56 2cqy n VAL 21 Cb 0.42 1.12 -0.15 0.00 -1.47 0.00 0.00 33.84 33.76 2cqy n VAL 21 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2cqy s ASN 22 N -0.82 3.90 0.20 -1.34 2.20 -1.26 -5.10 114.94 112.72 2cqy s ASN 22 Ca 0.07 -1.47 -0.22 0.00 -0.94 0.00 0.00 52.86 50.30 2cqy s ASN 22 Cb 0.06 -0.98 0.06 0.00 -2.00 0.00 0.00 41.25 38.40 2cqy s ASN 22 CO 0.13 -0.36 0.95 0.28 -2.94 0.00 0.00 177.10 175.16 2cqy s THR 23 N 1.52 0.00 -0.04 0.54 -1.32 -1.26 -5.10 115.64 109.98 2cqy s THR 23 Ca 0.05 -0.71 0.06 0.00 -1.21 0.00 0.00 61.69 59.88 2cqy s THR 23 Cb -0.18 -2.43 -0.01 0.00 -1.51 0.00 0.00 72.50 68.38 2cqy s THR 23 CO -0.16 0.00 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.40 2cqy s ILE 24 N -2.81 1.78 -1.57 5.08 1.01 -1.26 -5.00 121.20 118.43 2cqy s ILE 24 Ca 0.16 -0.92 0.15 0.00 0.00 0.00 0.00 60.65 60.03 2cqy s ILE 24 Cb -0.03 -1.51 0.30 0.00 0.01 0.00 0.00 42.46 41.24 2cqy s ILE 24 CO 0.05 0.50 1.39 -0.81 0.00 0.00 0.00 174.94 176.07 2cqy n PRO 25 N 2.94 0.28 -1.07 2.79 -0.04 -1.26 -4.76 135.00 133.87 2cqy n PRO 25 Ca -0.17 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2cqy n PRO 25 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2cqy n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cqy n GLY 26 N -0.03 0.71 3.15 0.55 0.00 -1.26 -4.36 105.19 103.94 2cqy n GLY 26 Ca 0.08 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.43 2cqy n GLY 26 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cqy s PHE 27 N -2.42 -0.55 0.05 1.61 5.36 -1.21 -4.80 117.98 116.01 2cqy s PHE 27 Ca 0.00 0.51 -0.03 0.00 -0.96 0.00 0.00 56.93 56.46 2cqy s PHE 27 Cb 0.00 0.17 -0.28 0.00 -0.34 0.00 0.00 43.02 42.57 2cqy s PHE 27 CO 0.00 -0.31 1.03 0.38 -1.46 0.00 0.00 175.22 174.86 2cqy h ASP 28 N 7.84 0.38 0.00 6.13 2.03 -2.02 -3.33 116.42 127.45 2cqy h ASP 28 Ca -0.12 -0.45 -0.48 0.00 -0.73 0.00 0.00 57.03 55.25 2cqy h ASP 28 Cb 1.17 -0.12 -0.05 0.00 -0.83 0.00 0.00 39.33 39.50 2cqy h ASP 28 CO -0.09 1.36 1.15 0.61 -1.03 0.00 0.00 179.24 181.24 2cqy n GLY 29 N 1.57 -0.24 3.76 7.15 0.00 -1.26 -4.79 105.19 111.39 2cqy n GLY 29 Ca -0.11 0.85 -0.41 0.00 0.00 0.00 0.00 46.02 46.35 2cqy n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqy s VAL 30 N 5.59 2.37 0.72 1.61 0.11 -1.26 -4.71 120.40 124.82 2cqy s VAL 30 Ca 0.96 0.34 -0.11 0.00 -2.93 0.00 0.00 61.98 60.24 2cqy s VAL 30 Cb -1.03 -3.22 0.02 0.00 -1.53 0.00 0.00 36.38 30.62 2cqy s VAL 30 CO 0.43 0.07 1.07 -0.69 -3.33 0.00 0.00 175.10 172.65 2cqy s VAL 31 N -0.61 3.85 -0.04 2.04 1.01 -1.10 -4.98 120.40 120.57 2cqy s VAL 31 Ca 0.56 0.60 0.01 0.00 0.00 0.00 0.00 61.98 63.15 2cqy s VAL 31 Cb -0.44 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2cqy s VAL 31 CO 0.52 -0.78 -0.02 0.29 0.00 0.00 0.00 175.10 175.11 2cqy n LYS 32 N -3.21 1.41 -3.68 2.72 4.76 -1.26 -4.42 118.16 114.48 2cqy n LYS 32 Ca 0.08 0.02 -0.15 0.00 -2.87 0.00 0.00 58.31 55.38 2cqy n LYS 32 Cb 0.54 -1.09 -0.08 0.00 -1.84 0.00 0.00 35.03 32.55 2cqy n LYS 32 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2cqy s ASP 33 N -4.06 -0.35 0.26 4.39 -4.77 -1.26 -5.03 116.67 105.84 2cqy s ASP 33 Ca -0.05 0.33 -0.04 0.00 -3.30 0.00 0.00 52.55 49.50 2cqy s ASP 33 Cb 0.01 0.42 0.52 0.00 -1.09 0.00 0.00 42.92 42.78 2cqy s ASP 33 CO 0.12 -0.48 1.40 0.00 0.70 0.00 0.00 175.17 176.92 2cqy n ALA 34 N 1.25 0.31 -0.04 2.11 0.00 -1.26 0.27 120.51 123.14 2cqy n ALA 34 Ca -0.20 0.98 -0.09 0.00 0.00 0.00 0.00 53.44 54.12 2cqy n ALA 34 Cb 0.56 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 2cqy n ALA 34 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2cqy h GLU 35 N 0.00 -0.31 -0.93 0.00 5.08 -1.99 -0.56 114.58 115.86 2cqy h GLU 35 Ca 0.48 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.92 2cqy h GLU 35 Cb 0.84 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 2cqy h GLU 35 CO -0.89 -0.21 0.61 1.49 -1.00 0.00 0.00 179.01 179.00 2cqy h GLU 36 N -0.32 1.04 -0.92 2.33 4.81 -0.59 -1.41 114.58 119.51 2cqy h GLU 36 Ca 0.13 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 2cqy h GLU 36 Cb 0.52 -0.23 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 2cqy h GLU 36 CO -0.41 0.69 0.60 0.00 -0.73 0.00 0.00 179.01 179.16 2cqy h ALA 37 N 1.50 1.46 0.13 2.92 0.00 -0.07 -1.35 119.26 123.84 2cqy h ALA 37 Ca 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2cqy h ALA 37 Cb 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2cqy h ALA 37 CO -0.16 0.43 -0.06 0.28 0.00 0.00 0.00 179.25 179.74 2cqy h VAL 38 N 1.10 1.03 -0.52 0.00 2.07 -0.36 -0.01 116.25 119.56 2cqy h VAL 38 Ca 0.38 -0.74 0.09 0.00 0.82 0.00 0.00 66.70 67.25 2cqy h VAL 38 Cb 0.11 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 2cqy h VAL 38 CO -0.13 0.17 0.14 0.03 0.02 0.00 0.00 177.57 177.80 2cqy h ARG 39 N -0.53 0.28 0.20 1.57 3.08 -1.17 -0.67 114.38 117.13 2cqy h ARG 39 Ca -0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2cqy h ARG 39 Cb 0.42 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2cqy h ARG 39 CO 0.03 0.18 -0.10 0.82 -1.07 0.00 0.00 179.97 179.84 2cqy h ILE 40 N 0.29 0.89 -0.67 2.04 2.04 -1.26 -2.91 117.51 117.93 2cqy h ILE 40 Ca 0.26 -0.56 0.14 0.00 1.00 0.00 0.00 64.86 65.70 2cqy h ILE 40 Cb 0.34 1.22 -0.11 0.00 -0.74 0.00 0.00 36.82 37.53 2cqy h ILE 40 CO -0.31 0.13 0.00 0.00 0.00 0.00 0.00 178.15 177.96 2cqy h ALA 41 N 0.17 0.67 -0.87 1.87 0.00 -0.65 0.23 119.26 120.69 2cqy h ALA 41 Ca -0.03 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.18 2cqy h ALA 41 Cb 0.41 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 2cqy h ALA 41 CO 0.05 -0.40 0.56 0.00 0.00 0.00 0.00 179.25 179.46 2cqy h ARG 42 N 0.11 0.86 -0.18 0.00 3.08 -1.09 -0.60 114.38 116.56 2cqy h ARG 42 Ca 0.35 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.31 2cqy h ARG 42 Cb 0.59 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2cqy h ARG 42 CO -0.58 0.57 -0.06 0.93 -1.07 0.00 0.00 179.97 179.76 2cqy h GLU 43 N 0.89 0.36 -0.47 0.04 5.08 -0.40 -3.06 114.58 117.01 2cqy h GLU 43 Ca 0.39 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2cqy h GLU 43 Cb 0.36 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2cqy h GLU 43 CO -0.16 0.64 0.24 0.82 -1.00 0.00 0.00 179.01 179.55 2cqy h ILE 44 N 0.06 1.16 -0.09 3.13 2.04 -0.52 -3.45 117.51 119.83 2cqy h ILE 44 Ca 0.04 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2cqy h ILE 44 Cb 0.52 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2cqy h ILE 44 CO 0.02 0.18 0.00 0.61 0.00 0.00 0.00 178.15 178.96 2cqy n GLY 45 N -1.26 0.46 3.73 5.37 0.00 -0.30 -4.62 105.19 108.57 2cqy n GLY 45 Ca 0.04 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 2cqy n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cqy s TYR 46 N 0.00 2.07 0.85 1.61 2.02 -1.26 -4.46 117.35 118.18 2cqy s TYR 46 Ca 0.00 1.57 -0.11 0.00 -0.37 0.00 0.00 57.07 58.16 2cqy s TYR 46 Cb 0.00 -3.52 0.10 0.00 -0.40 0.00 0.00 41.96 38.14 2cqy s TYR 46 CO 0.00 -2.65 1.09 -1.25 -1.57 0.00 0.00 175.55 171.17 2cqy s PRO 47 N -3.76 1.64 -0.05 -1.71 0.04 -1.26 -5.02 135.00 124.87 2cqy s PRO 47 Ca 0.76 0.96 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 2cqy s PRO 47 Cb -0.31 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2cqy s PRO 47 CO 0.43 -2.01 0.01 0.14 0.04 0.00 0.00 177.00 175.61 2cqy s VAL 48 N -2.92 0.26 0.07 -0.36 -7.23 0.61 -2.64 120.40 108.19 2cqy s VAL 48 Ca 0.63 0.15 -0.26 0.00 -1.81 0.00 0.00 61.98 60.69 2cqy s VAL 48 Cb -0.18 -0.41 -0.06 0.00 0.56 0.00 0.00 36.38 36.30 2cqy s VAL 48 CO 0.57 0.22 0.79 -0.32 -0.31 0.00 0.00 175.10 176.04 2cqy s MET 49 N 1.70 4.53 -0.08 4.82 1.75 0.43 -1.31 119.30 131.15 2cqy s MET 49 Ca 0.00 1.12 0.03 0.00 -1.25 0.00 0.00 55.69 55.59 2cqy s MET 49 Cb -0.13 -3.35 -0.02 0.00 2.84 0.00 0.00 34.83 34.17 2cqy s MET 49 CO -0.04 0.32 -0.15 0.42 -0.65 0.00 0.00 175.02 174.92 2cqy s ILE 50 N -0.22 2.91 0.12 10.11 1.01 -0.14 -0.26 121.20 134.73 2cqy s ILE 50 Ca 0.39 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.32 2cqy s ILE 50 Cb -0.21 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2cqy s ILE 50 CO 0.24 0.56 -0.06 -0.54 0.00 0.00 0.00 174.94 175.14 2cqy s LYS 51 N -0.24 0.94 -0.35 2.79 1.02 -1.14 -2.89 119.74 119.86 2cqy s LYS 51 Ca 0.01 -1.40 -0.29 0.00 0.02 0.00 0.00 55.97 54.31 2cqy s LYS 51 Cb -0.13 -0.33 0.02 0.00 -0.52 0.00 0.00 37.83 36.87 2cqy s LYS 51 CO 0.03 -0.01 1.14 0.00 -0.92 0.00 0.00 175.35 175.59 2cqy s ALA 52 N -3.55 3.38 0.29 5.17 0.00 -1.26 0.13 121.76 125.91 2cqy s ALA 52 Ca 0.15 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.99 2cqy s ALA 52 Cb 0.05 -3.75 0.68 0.00 0.00 0.00 0.00 23.12 20.10 2cqy s ALA 52 CO -0.02 -1.75 1.62 1.03 0.00 0.00 0.00 175.76 176.64 2cqy h SER 53 N 8.66 -0.20 -1.09 0.00 0.87 -1.66 1.79 113.55 121.93 2cqy h SER 53 Ca -0.22 0.22 0.30 0.00 -1.23 0.00 0.00 61.79 60.86 2cqy h SER 53 Cb 1.07 0.34 -0.11 0.00 -0.44 0.00 0.00 62.40 63.26 2cqy h SER 53 CO 1.06 -0.22 0.68 0.00 -0.53 0.00 0.00 176.83 177.82 2cqy h ALA 54 N 1.83 2.25 0.00 6.23 0.00 -1.80 -3.35 119.26 124.41 2cqy h ALA 54 Ca 0.54 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.44 2cqy h ALA 54 Cb 1.10 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.84 2cqy h ALA 54 CO -0.73 -0.73 -0.04 0.41 0.00 0.00 0.00 179.25 178.16 2cqy n GLY 55 N -1.45 -1.32 3.24 0.00 0.00 0.22 -5.04 105.19 100.84 2cqy n GLY 55 Ca 0.28 0.80 -0.32 0.00 0.00 0.00 0.00 46.02 46.78 2cqy n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cqy n GLY 56 N 0.92 -2.56 0.00 -0.02 0.00 0.55 -4.68 105.19 99.40 2cqy n GLY 56 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2cqy n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cqy n GLY 57 N 2.18 3.04 0.01 -0.02 0.00 -1.26 -4.90 105.19 104.23 2cqy n GLY 57 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2cqy n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cqy n GLY 58 N 0.00 0.01 2.29 -0.02 0.00 -1.26 -4.96 105.19 101.25 2cqy n GLY 58 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2cqy n GLY 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2cqy n LYS 59 N -0.67 2.70 0.00 1.61 4.81 -1.26 -4.44 118.16 120.91 2cqy n LYS 59 Ca 0.00 -3.32 0.00 0.00 -0.87 0.00 0.00 58.31 54.12 2cqy n LYS 59 Cb 0.00 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 32.77 2cqy n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cqy n GLY 60 N -0.93 0.21 2.05 3.14 0.00 -1.26 -5.14 105.19 103.25 2cqy n GLY 60 Ca 0.61 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 46.32 2cqy n GLY 60 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2cqy n MET 61 N -1.49 -3.29 -4.24 1.61 0.00 -1.26 -5.03 117.12 103.42 2cqy n MET 61 Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 57.70 56.59 2cqy n MET 61 Cb 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 33.22 31.96 2cqy n MET 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 2cqy s ARG 62 N -4.03 2.31 -0.01 3.17 3.52 -1.14 -5.00 118.95 117.77 2cqy s ARG 62 Ca 0.39 -1.19 0.05 0.00 -0.13 0.00 0.00 55.73 54.86 2cqy s ARG 62 Cb -0.07 -2.28 -0.01 0.00 -1.56 0.00 0.00 34.95 31.02 2cqy s ARG 62 CO 0.33 0.44 -0.17 0.42 -0.81 0.00 0.00 175.30 175.50 2cqy s ILE 63 N -1.81 1.37 0.19 4.11 1.01 -1.26 -0.97 121.20 123.84 2cqy s ILE 63 Ca 0.27 -0.78 0.11 0.00 0.00 0.00 0.00 60.65 60.25 2cqy s ILE 63 Cb -0.09 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 2cqy s ILE 63 CO 0.18 0.36 -0.19 0.00 0.00 0.00 0.00 174.94 175.29 2cqy s ALA 64 N -0.45 2.69 0.00 9.38 0.00 -0.42 -4.97 121.76 127.99 2cqy s ALA 64 Ca 0.06 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.44 2cqy s ALA 64 Cb -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2cqy s ALA 64 CO -0.00 0.44 0.00 0.91 0.00 0.00 0.00 175.76 177.10 2cqy n TRP 65 N 0.15 0.00 -4.09 0.00 7.02 -1.26 -0.28 117.44 118.98 2cqy n TRP 65 Ca -0.12 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.28 2cqy n TRP 65 Cb 0.56 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.35 2cqy n TRP 65 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2cqy s ASP 66 N -2.36 0.34 0.21 -0.99 1.01 -1.26 -4.64 116.67 108.98 2cqy s ASP 66 Ca 0.00 -1.06 -0.19 0.00 0.71 0.00 0.00 52.55 52.00 2cqy s ASP 66 Cb 0.00 0.27 0.18 0.00 1.01 0.00 0.00 42.92 44.39 2cqy s ASP 66 CO 0.00 -0.69 1.57 0.44 0.21 0.00 0.00 175.17 176.70 2cqy h ASP 67 N 2.94 -1.31 -0.83 0.27 3.32 -1.98 0.45 116.42 119.28 2cqy h ASP 67 Ca -0.34 0.27 0.20 0.00 0.02 0.00 0.00 57.03 57.17 2cqy h ASP 67 Cb 1.18 0.67 -0.12 0.00 0.22 0.00 0.00 39.33 41.28 2cqy h ASP 67 CO 0.61 -0.30 0.28 1.05 -1.72 0.00 0.00 179.24 179.16 2cqy h GLU 68 N -0.08 0.32 -0.22 3.56 4.11 -2.00 -0.20 114.58 120.07 2cqy h GLU 68 Ca 0.29 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.63 2cqy h GLU 68 Cb 0.57 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2cqy h GLU 68 CO -0.84 0.21 -0.14 0.93 0.07 0.00 0.00 179.01 179.24 2cqy h GLU 69 N 0.33 0.48 -0.44 1.06 5.08 -0.65 -2.75 114.58 117.69 2cqy h GLU 69 Ca 0.50 -0.23 0.09 0.00 -1.00 0.00 0.00 59.36 58.72 2cqy h GLU 69 Cb 0.91 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.06 2cqy h GLU 69 CO -0.54 0.78 -0.29 1.15 -1.00 0.00 0.00 179.01 179.11 2cqy h THR 70 N 0.18 0.26 0.88 1.13 2.02 0.96 0.31 112.91 118.65 2cqy h THR 70 Ca 0.04 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 2cqy h THR 70 Cb 0.66 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2cqy h THR 70 CO 0.04 0.00 -0.43 0.03 0.37 0.00 0.00 175.52 175.53 2cqy h ARG 71 N -0.20 -1.15 -1.12 6.66 3.08 -1.39 0.55 114.38 120.80 2cqy h ARG 71 Ca 0.19 0.08 0.31 0.00 0.07 0.00 0.00 59.98 60.64 2cqy h ARG 71 Cb 0.52 0.26 -0.07 0.00 0.08 0.00 0.00 29.97 30.76 2cqy h ARG 71 CO -0.56 -0.77 0.77 -0.44 -1.07 0.00 0.00 179.97 177.90 2cqy h ASP 72 N -1.19 0.22 0.67 7.04 3.32 -1.17 0.33 116.42 125.63 2cqy h ASP 72 Ca -0.12 0.05 -0.27 0.00 0.02 0.00 0.00 57.03 56.71 2cqy h ASP 72 Cb 0.92 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 2cqy h ASP 72 CO 0.19 0.03 -1.35 1.23 -1.72 0.00 0.00 179.24 177.62 2cqy h GLY 73 N 0.18 0.14 1.78 2.75 0.00 0.03 -3.24 103.07 104.71 2cqy h GLY 73 Ca 0.59 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 47.45 2cqy h GLY 73 CO -0.16 0.31 -0.48 -2.75 0.00 0.00 0.00 176.54 173.46 2cqy h PHE 74 N 0.03 0.29 -0.18 5.60 3.04 0.38 0.13 116.94 126.24 2cqy h PHE 74 Ca -0.16 -0.09 -0.04 0.00 3.98 0.00 0.00 57.97 61.66 2cqy h PHE 74 Cb 1.93 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 40.37 2cqy h PHE 74 CO 0.03 0.68 -0.06 0.00 -2.02 0.00 0.00 178.31 176.94 2cqy h ARG 75 N 0.20 0.35 0.23 1.11 3.08 -1.06 -2.79 114.38 115.49 2cqy h ARG 75 Ca 0.01 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2cqy h ARG 75 Cb 0.92 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2cqy h ARG 75 CO 0.07 0.63 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.43 2cqy h LEU 76 N 0.05 -0.26 -0.87 3.04 3.38 -1.57 -2.87 115.31 116.21 2cqy h LEU 76 Ca 0.04 0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.23 2cqy h LEU 76 Cb 0.51 0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.17 2cqy h LEU 76 CO 0.02 0.10 -0.09 -0.24 0.09 0.00 0.00 178.44 178.32 2cqy n SER 77 N -4.41 -0.20 0.48 -0.43 2.88 0.03 -0.43 113.62 111.54 2cqy n SER 77 Ca -0.04 1.49 -0.19 0.00 -1.33 0.00 0.00 58.87 58.80 2cqy n SER 77 Cb 0.12 -0.50 -0.09 0.00 -0.75 0.00 0.00 64.21 62.99 2cqy n SER 77 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2cqy h SER 78 N 0.00 -1.03 -1.16 -3.46 0.87 -1.60 -2.15 113.55 105.03 2cqy h SER 78 Ca 0.48 0.03 0.34 0.00 -1.23 0.00 0.00 61.79 61.41 2cqy h SER 78 Cb 0.88 0.27 -0.10 0.00 -0.44 0.00 0.00 62.40 63.00 2cqy h SER 78 CO -0.86 -0.70 0.75 1.56 -0.53 0.00 0.00 176.83 177.05 2cqy h GLN 79 N -1.31 0.25 0.10 2.24 1.08 -0.50 0.10 115.11 117.06 2cqy h GLN 79 Ca -0.12 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2cqy h GLN 79 Cb 0.94 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 2cqy h GLN 79 CO 0.21 0.16 -0.05 0.93 -0.95 0.00 0.00 178.83 179.13 2cqy h GLU 80 N 0.25 -0.13 -0.89 1.46 4.39 -0.71 -2.93 114.58 116.02 2cqy h GLU 80 Ca 0.68 0.01 0.21 0.00 0.34 0.00 0.00 59.36 60.60 2cqy h GLU 80 Cb 1.96 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 30.58 2cqy h GLU 80 CO -0.33 0.20 0.60 0.00 -1.16 0.00 0.00 179.01 178.32 2cqy h ALA 81 N 0.40 2.31 0.00 3.43 0.00 -0.16 0.58 119.26 125.82 2cqy h ALA 81 Ca -0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2cqy h ALA 81 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2cqy h ALA 81 CO 0.02 -0.59 -0.35 0.00 0.00 0.00 0.00 179.25 178.33 2cqy h ALA 82 N 1.61 1.11 0.00 0.00 0.00 -1.25 0.20 119.26 120.92 2cqy h ALA 82 Ca 0.46 -0.32 -0.29 0.00 0.00 0.00 0.00 54.91 54.76 2cqy h ALA 82 Cb 1.26 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2cqy h ALA 82 CO -0.15 0.44 -1.78 0.45 0.00 0.00 0.00 179.25 178.21 2cqy n SER 83 N -3.67 0.73 0.00 0.00 2.88 0.16 -3.59 113.62 110.13 2cqy n SER 83 Ca -0.01 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2cqy n SER 83 Cb 0.46 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2cqy n SER 83 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cqy n SER 84 N -2.98 0.00 -0.11 -3.46 7.64 0.12 -4.75 113.62 110.09 2cqy n SER 84 Ca -0.18 0.38 -0.25 0.00 1.01 0.00 0.00 58.87 59.83 2cqy n SER 84 Cb 1.04 -0.27 -0.11 0.00 -1.01 0.00 0.00 64.21 63.85 2cqy n SER 84 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2cqy n PHE 85 N -1.32 0.50 0.00 1.43 3.72 -0.80 -5.03 117.46 115.96 2cqy n PHE 85 Ca 0.00 0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 2cqy n PHE 85 Cb 0.00 -1.05 0.00 0.00 -0.94 0.00 0.00 39.48 37.49 2cqy n PHE 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cqy n GLY 86 N 1.54 1.15 3.59 1.37 0.00 0.63 -4.99 105.19 108.47 2cqy n GLY 86 Ca -0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 2cqy n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cqy s ASP 87 N -0.19 6.42 0.00 1.61 1.01 -1.19 -4.50 116.67 119.83 2cqy s ASP 87 Ca 0.00 0.32 0.12 0.00 0.71 0.00 0.00 52.55 53.70 2cqy s ASP 87 Cb 0.00 -2.30 0.54 0.00 1.01 0.00 0.00 42.92 42.17 2cqy s ASP 87 CO 0.00 -0.43 1.37 -0.90 0.21 0.00 0.00 175.17 175.43 2cqy n ASP 88 N 5.75 0.00 -4.48 0.27 5.75 -1.26 -3.79 116.55 118.79 2cqy n ASP 88 Ca -0.03 0.42 -0.41 0.00 -0.01 0.00 0.00 54.79 54.75 2cqy n ASP 88 Cb 0.49 -0.45 0.01 0.00 -1.03 0.00 0.00 41.12 40.14 2cqy n ASP 88 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2cqy n ARG 89 N -1.45 0.70 -4.46 0.11 5.12 -1.26 -4.56 116.66 110.86 2cqy n ARG 89 Ca 0.04 0.26 -0.22 0.00 -1.93 0.00 0.00 57.85 55.99 2cqy n ARG 89 Cb 0.13 -1.62 -0.10 0.00 -1.16 0.00 0.00 32.46 29.72 2cqy n ARG 89 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2cqy s LEU 90 N 1.24 2.10 0.29 0.55 1.43 -1.26 -2.44 118.68 120.58 2cqy s LEU 90 Ca 0.64 -1.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.32 2cqy s LEU 90 Cb -0.59 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 2cqy s LEU 90 CO 0.57 -0.70 0.17 -0.76 0.23 0.00 0.00 176.35 175.87 2cqy s LEU 91 N -3.51 1.61 -0.23 1.79 1.43 0.34 -2.70 118.68 117.42 2cqy s LEU 91 Ca 0.33 -1.56 -0.10 0.00 -1.03 0.00 0.00 54.13 51.77 2cqy s LEU 91 Cb 0.07 0.26 0.09 0.00 0.03 0.00 0.00 46.19 46.65 2cqy s LEU 91 CO 0.15 -0.90 0.52 -0.63 0.23 0.00 0.00 176.35 175.72 2cqy s ILE 92 N -3.66 -0.49 0.03 -0.59 1.01 -1.25 -2.89 121.20 113.36 2cqy s ILE 92 Ca 0.37 0.08 0.03 0.00 0.00 0.00 0.00 60.65 61.13 2cqy s ILE 92 Cb 0.05 -0.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.71 2cqy s ILE 92 CO 0.18 0.03 -0.09 -1.61 0.00 0.00 0.00 174.94 173.46 2cqy s GLU 93 N 2.25 0.59 0.25 2.79 2.02 0.64 -3.35 118.70 123.90 2cqy s GLU 93 Ca -0.06 -0.61 -0.30 0.00 0.02 0.00 0.00 54.97 54.02 2cqy s GLU 93 Cb -0.10 -0.48 -0.14 0.00 0.10 0.00 0.00 34.13 33.51 2cqy s GLU 93 CO -0.16 0.11 1.28 1.17 0.02 0.00 0.00 175.26 177.69 2cqy n LYS 94 N 1.96 1.80 -3.75 1.61 3.00 -1.26 -0.43 118.16 121.09 2cqy n LYS 94 Ca -0.19 0.64 -0.37 0.00 -0.00 0.00 0.00 58.31 58.39 2cqy n LYS 94 Cb 0.56 -2.21 -0.12 0.00 0.00 0.00 0.00 35.03 33.25 2cqy n LYS 94 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 2cqy s PHE 95 N -0.43 3.11 -0.29 5.64 5.36 -1.08 -4.62 117.98 125.67 2cqy s PHE 95 Ca 0.65 -0.62 0.03 0.00 -0.96 0.00 0.00 56.93 56.03 2cqy s PHE 95 Cb -0.68 -2.26 0.07 0.00 -0.34 0.00 0.00 43.02 39.82 2cqy s PHE 95 CO 0.54 -0.44 -0.05 0.42 -1.46 0.00 0.00 175.22 174.23 2cqy s ILE 96 N 1.58 2.23 -0.13 3.12 -1.09 -1.26 -4.44 121.20 121.21 2cqy s ILE 96 Ca 0.05 -1.89 -0.07 0.00 -2.23 0.00 0.00 60.65 56.50 2cqy s ILE 96 Cb -0.16 -2.44 -0.25 0.00 -1.58 0.00 0.00 42.46 38.03 2cqy s ILE 96 CO 0.03 -0.24 0.33 -0.67 -1.23 0.00 0.00 174.94 173.17 2cqy n ASP 97 N 4.37 2.11 -4.88 3.58 -0.08 -1.26 -4.94 116.55 115.45 2cqy n ASP 97 Ca -0.07 0.21 -0.30 0.00 -1.51 0.00 0.00 54.79 53.11 2cqy n ASP 97 Cb 0.42 -0.86 0.01 0.00 2.34 0.00 0.00 41.12 43.04 2cqy n ASP 97 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2cqy s ASN 98 N -7.02 6.11 0.00 1.67 0.01 -1.26 -4.94 114.94 109.51 2cqy s ASN 98 Ca -0.23 1.31 0.15 0.00 -0.71 0.00 0.00 52.86 53.38 2cqy s ASN 98 Cb 0.07 -2.35 0.81 0.00 0.41 0.00 0.00 41.25 40.18 2cqy s ASN 98 CO 0.75 -0.91 1.38 -0.81 -1.51 0.00 0.00 177.10 176.01 2cqy n PRO 99 N -2.73 0.31 -1.89 -0.60 -0.04 -1.26 -4.67 135.00 124.12 2cqy n PRO 99 Ca 0.05 0.09 -0.35 0.00 -0.04 0.00 0.00 63.50 63.26 2cqy n PRO 99 Cb 0.55 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 2cqy n PRO 99 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2cqy s ARG 100 N -2.37 2.42 -0.10 0.54 6.06 -1.26 -4.91 118.95 119.34 2cqy s ARG 100 Ca 0.17 0.70 -0.05 0.00 -2.50 0.00 0.00 55.73 54.06 2cqy s ARG 100 Cb 0.10 -4.54 0.04 0.00 0.06 0.00 0.00 34.95 30.61 2cqy s ARG 100 CO 0.21 -3.05 0.23 -1.58 -2.50 0.00 0.00 175.30 168.60 2cqy s HIS 101 N 10.35 -0.29 -0.52 5.12 2.46 -1.26 -5.01 115.29 126.13 2cqy s HIS 101 Ca 0.77 0.71 -0.02 0.00 0.47 0.00 0.00 55.06 56.99 2cqy s HIS 101 Cb -0.13 0.03 0.14 0.00 -0.13 0.00 0.00 32.58 32.49 2cqy s HIS 101 CO 0.19 -0.21 0.32 0.42 -2.47 0.00 0.00 174.74 172.99 2cqy s ILE 102 N 1.08 3.35 0.12 0.89 1.09 -1.26 -4.97 121.20 121.50 2cqy s ILE 102 Ca -0.08 -2.67 -0.24 0.00 -1.10 0.00 0.00 60.65 56.55 2cqy s ILE 102 Cb -0.09 -3.25 -0.05 0.00 -1.06 0.00 0.00 42.46 38.01 2cqy s ILE 102 CO -0.07 -0.79 1.65 -1.28 -0.10 0.00 0.00 174.94 174.35 2cqy h SER 103 N 7.33 -0.62 -3.99 3.58 0.87 -1.99 -3.49 113.55 115.23 2cqy h SER 103 Ca -0.06 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2cqy h SER 103 Cb 0.98 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2cqy h SER 103 CO 0.69 -0.27 -0.16 0.61 -0.53 0.00 0.00 176.83 177.18 2cqy n GLY 104 N -1.34 -3.13 3.59 5.77 0.00 -1.26 -4.61 105.19 104.21 2cqy n GLY 104 Ca -0.04 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 2cqy n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqy s PRO 105 N -4.91 3.27 -1.23 1.61 0.04 -1.26 -3.80 135.00 128.71 2cqy s PRO 105 Ca 0.00 1.18 -0.08 0.00 0.04 0.00 0.00 61.00 62.14 2cqy s PRO 105 Cb 0.00 -4.19 0.08 0.00 0.04 0.00 0.00 34.50 30.43 2cqy s PRO 105 CO 0.00 -1.95 0.21 -1.13 0.04 0.00 0.00 177.00 174.18 2cqy n SER 106 N 10.39 -0.30 -4.52 6.66 3.41 -1.26 -4.87 113.62 123.13 2cqy n SER 106 Ca 0.21 -0.91 -0.26 0.00 -0.26 0.00 0.00 58.87 57.65 2cqy n SER 106 Cb 0.48 -1.14 -0.10 0.00 -0.26 0.00 0.00 64.21 63.18 2cqy n SER 106 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cqy s SER 107 N -3.32 3.25 0.00 4.04 1.04 -1.25 -5.29 113.70 112.17 2cqy s SER 107 Ca 0.30 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.27 2cqy s SER 107 Cb -0.17 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2cqy s SER 107 CO 0.73 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.93