#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 -0.27 -0.00 1.61 0.15 -1.26 -5.19 113.70 108.74 2cqy s SER 2 Ca 0.00 -0.03 -0.30 0.00 0.70 0.00 0.00 55.95 56.33 2cqy s SER 2 Cb 0.00 0.30 0.11 0.00 -1.71 0.00 0.00 66.02 64.71 2cqy s SER 2 CO 0.00 -0.49 1.14 -0.55 1.20 0.00 0.00 173.24 174.54 2cqy s SER 3 N -2.42 -0.14 0.02 5.45 0.15 -1.26 -5.19 113.70 110.31 2cqy s SER 3 Ca 0.07 -0.16 -0.00 0.00 0.70 0.00 0.00 55.95 56.55 2cqy s SER 3 Cb -0.01 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 2cqy s SER 3 CO -0.07 -0.49 0.03 0.61 1.20 0.00 0.00 173.24 174.53 2cqy n GLY 4 N -0.38 2.75 3.59 9.45 0.00 -1.26 -5.19 105.19 114.16 2cqy n GLY 4 Ca -0.06 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 2cqy n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqy s SER 5 N -1.12 -0.30 0.19 1.61 1.04 -1.26 -5.19 113.70 108.68 2cqy s SER 5 Ca 0.01 0.32 -0.22 0.00 0.48 0.00 0.00 55.95 56.54 2cqy s SER 5 Cb -0.00 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.42 2cqy s SER 5 CO 0.01 -0.28 0.63 -0.44 0.98 0.00 0.00 173.24 174.14 2cqy s SER 6 N -1.11 -0.49 -0.02 7.02 0.01 -1.26 -5.10 113.70 112.75 2cqy s SER 6 Ca 0.01 -0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.09 2cqy s SER 6 Cb -0.01 0.63 0.01 0.00 0.21 0.00 0.00 66.02 66.86 2cqy s SER 6 CO -0.00 -1.07 0.03 0.61 0.41 0.00 0.00 173.24 173.21 2cqy n GLY 7 N -0.40 -3.22 3.43 3.44 0.00 -1.26 -5.12 105.19 102.07 2cqy n GLY 7 Ca -0.14 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.08 -0.08 -0.06 1.61 1.01 -1.26 -5.17 116.67 112.65 2cqy s ASP 8 Ca -0.03 -0.74 0.01 0.00 0.71 0.00 0.00 52.55 52.50 2cqy s ASP 8 Cb 0.00 0.50 0.02 0.00 1.01 0.00 0.00 42.92 44.46 2cqy s ASP 8 CO 0.09 -0.98 -0.07 -0.54 0.21 0.00 0.00 175.17 173.88 2cqy s LYS 9 N -3.94 1.16 -0.27 8.23 -0.14 -1.26 -5.13 119.74 118.39 2cqy s LYS 9 Ca 0.15 -0.20 -0.25 0.00 -1.36 0.00 0.00 55.97 54.31 2cqy s LYS 9 Cb 0.01 -1.12 0.10 0.00 -1.68 0.00 0.00 37.83 35.14 2cqy s LYS 9 CO 0.00 -0.10 0.89 -1.50 -0.76 0.00 0.00 175.35 173.88 2cqy s ILE 10 N 1.05 0.00 -0.38 2.17 2.07 -1.26 -5.11 121.20 119.75 2cqy s ILE 10 Ca -0.08 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.86 2cqy s ILE 10 Cb -0.14 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.36 2cqy s ILE 10 CO -0.00 0.00 2.30 -0.62 -1.91 0.00 0.00 174.94 174.71 2cqy n GLU 11 N 2.36 1.36 -3.91 3.50 1.02 -1.26 -4.90 120.64 118.81 2cqy n GLU 11 Ca -0.13 0.28 -0.19 0.00 -0.02 0.00 0.00 57.16 57.10 2cqy n GLU 11 Cb 0.56 -3.00 -0.06 0.00 -0.02 0.00 0.00 31.44 28.91 2cqy n GLU 11 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2cqy n SER 12 N 12.40 0.61 -3.75 1.62 3.41 -1.26 -4.91 113.62 121.74 2cqy n SER 12 Ca 0.37 -2.77 -0.26 0.00 -0.26 0.00 0.00 58.87 55.95 2cqy n SER 12 Cb 0.40 1.01 0.02 0.00 -0.26 0.00 0.00 64.21 65.38 2cqy n SER 12 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2cqy n LYS 13 N -0.67 -2.82 0.00 4.33 5.02 -1.26 -4.89 118.16 117.87 2cqy n LYS 13 Ca -0.01 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 2cqy n LYS 13 Cb 0.49 -4.58 0.00 0.00 -0.02 0.00 0.00 35.03 30.92 2cqy n LYS 13 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2cqy n LEU 14 N -4.23 1.30 -4.54 -0.35 -0.00 -1.26 -4.99 117.00 102.93 2cqy n LEU 14 Ca -0.21 -1.30 -0.41 0.00 -0.00 0.00 0.00 56.01 54.09 2cqy n LEU 14 Cb 0.64 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.97 2cqy n LEU 14 CO 0.69 0.33 -0.01 -0.76 -0.00 0.00 0.00 177.39 177.64 2cqy s LEU 15 N -0.39 4.47 -0.38 1.47 1.43 -1.26 -5.03 118.68 118.99 2cqy s LEU 15 Ca 0.00 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2cqy s LEU 15 Cb 0.00 -2.29 0.11 0.00 0.03 0.00 0.00 46.19 44.05 2cqy s LEU 15 CO 0.00 -0.32 0.14 0.00 0.23 0.00 0.00 176.35 176.41 2cqy s ALA 16 N 1.94 2.22 -0.29 4.21 0.00 -1.26 -5.07 121.76 123.51 2cqy s ALA 16 Ca 0.10 -2.31 -0.16 0.00 0.00 0.00 0.00 51.96 49.59 2cqy s ALA 16 Cb -0.17 -1.84 0.14 0.00 0.00 0.00 0.00 23.12 21.26 2cqy s ALA 16 CO 0.11 -1.83 0.96 0.21 0.00 0.00 0.00 175.76 175.21 2cqy s LYS 17 N 0.88 0.39 -0.30 0.00 2.47 -1.26 -5.15 119.74 116.78 2cqy s LYS 17 Ca 0.13 0.70 -0.09 0.00 -1.56 0.00 0.00 55.97 55.15 2cqy s LYS 17 Cb -0.21 0.10 0.18 0.00 -1.46 0.00 0.00 37.83 36.45 2cqy s LYS 17 CO -0.11 -0.09 0.92 0.21 0.16 0.00 0.00 175.35 176.44 2cqy s LYS 18 N 1.42 0.30 -0.38 4.03 2.20 -1.26 -5.12 119.74 120.93 2cqy s LYS 18 Ca -0.09 0.50 0.01 0.00 -0.36 0.00 0.00 55.97 56.03 2cqy s LYS 18 Cb -0.04 0.28 0.13 0.00 -1.51 0.00 0.00 37.83 36.69 2cqy s LYS 18 CO -0.15 -0.34 0.20 0.00 -0.36 0.00 0.00 175.35 174.70 2cqy s ALA 19 N 2.93 1.55 0.01 3.13 0.00 -1.26 -5.11 121.76 123.01 2cqy s ALA 19 Ca 0.06 -2.11 0.01 0.00 0.00 0.00 0.00 51.96 49.93 2cqy s ALA 19 Cb -0.11 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 2cqy s ALA 19 CO -0.15 -1.99 -0.05 -1.21 0.00 0.00 0.00 175.76 172.36 2cqy s GLU 20 N 0.90 0.39 -0.11 0.00 8.01 -1.26 -5.06 118.70 121.57 2cqy s GLU 20 Ca 0.16 -0.34 -0.14 0.00 0.01 0.00 0.00 54.97 54.66 2cqy s GLU 20 Cb -0.22 -0.29 -0.27 0.00 -4.31 0.00 0.00 34.13 29.04 2cqy s GLU 20 CO -0.06 0.07 0.50 -0.24 0.01 0.00 0.00 175.26 175.55 2cqy h VAL 21 N 4.87 0.94 -3.42 2.63 3.04 -1.99 -3.45 116.25 118.86 2cqy h VAL 21 Ca -0.30 -2.38 -0.60 0.00 -1.01 0.00 0.00 66.70 62.41 2cqy h VAL 21 Cb 1.20 2.64 -0.10 0.00 -2.01 0.00 0.00 31.29 33.01 2cqy h VAL 21 CO 0.47 0.72 0.23 0.54 -1.01 0.00 0.00 177.57 178.52 2cqy s ASN 22 N -7.04 6.65 0.32 3.17 4.22 -1.26 -5.02 114.94 115.98 2cqy s ASN 22 Ca -0.21 0.80 -0.13 0.00 -2.14 0.00 0.00 52.86 51.19 2cqy s ASN 22 Cb 0.05 -2.36 0.02 0.00 1.28 0.00 0.00 41.25 40.24 2cqy s ASN 22 CO 0.76 -0.39 0.62 0.28 -2.04 0.00 0.00 177.10 176.33 2cqy s THR 23 N 2.51 0.00 -0.11 0.54 -1.32 -1.26 -5.16 115.64 110.84 2cqy s THR 23 Ca 0.29 -1.25 0.03 0.00 -1.21 0.00 0.00 61.69 59.55 2cqy s THR 23 Cb -0.15 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 2cqy s THR 23 CO 0.08 0.00 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.64 2cqy s ILE 24 N -3.21 1.98 -1.58 5.08 1.01 -1.26 -5.00 121.20 118.23 2cqy s ILE 24 Ca 0.20 -0.96 0.15 0.00 0.00 0.00 0.00 60.65 60.04 2cqy s ILE 24 Cb -0.03 -1.73 0.31 0.00 0.01 0.00 0.00 42.46 41.02 2cqy s ILE 24 CO 0.12 0.54 1.39 -0.81 0.00 0.00 0.00 174.94 176.18 2cqy n PRO 25 N 3.71 0.28 0.00 2.79 -0.04 -1.26 -4.88 135.00 135.60 2cqy n PRO 25 Ca -0.19 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 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 1.28 3.57 0.55 0.00 -1.26 -4.59 105.19 104.71 2cqy n GLY 26 Ca 0.08 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.70 -0.38 -0.19 1.61 5.36 -1.23 -4.92 117.98 116.54 2cqy s PHE 27 Ca 0.00 0.73 -0.03 0.00 -0.96 0.00 0.00 56.93 56.67 2cqy s PHE 27 Cb 0.00 0.23 -0.10 0.00 -0.34 0.00 0.00 43.02 42.80 2cqy s PHE 27 CO 0.00 -0.19 -0.19 -0.25 -1.46 0.00 0.00 175.22 173.13 2cqy n ASP 28 N 3.75 2.12 -3.40 6.13 8.00 -1.26 -4.21 116.55 127.67 2cqy n ASP 28 Ca -0.16 0.03 -0.29 0.00 0.71 0.00 0.00 54.79 55.08 2cqy n ASP 28 Cb 0.56 -0.39 -0.12 0.00 -0.02 0.00 0.00 41.12 41.15 2cqy n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cqy n GLY 29 N 2.31 -0.37 3.54 0.44 0.00 -1.26 -4.75 105.19 105.10 2cqy n GLY 29 Ca -0.34 0.78 -0.44 0.00 0.00 0.00 0.00 46.02 46.03 2cqy n GLY 29 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2cqy n VAL 30 N 5.50 2.02 -1.64 1.61 3.14 -1.26 -4.87 118.33 122.83 2cqy n VAL 30 Ca 0.50 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 2cqy n VAL 30 Cb 0.03 -0.80 0.05 0.00 -1.06 0.00 0.00 33.84 32.06 2cqy n VAL 30 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2cqy s VAL 31 N -1.19 3.45 -0.21 1.55 1.01 -1.13 -4.95 120.40 118.92 2cqy s VAL 31 Ca 0.61 0.59 -0.05 0.00 0.00 0.00 0.00 61.98 63.13 2cqy s VAL 31 Cb -0.68 -3.13 -0.11 0.00 0.00 0.00 0.00 36.38 32.46 2cqy s VAL 31 CO 0.58 -0.50 -0.24 0.29 0.00 0.00 0.00 175.10 175.24 2cqy n LYS 32 N -2.74 0.49 -3.68 2.72 4.76 -1.26 -4.51 118.16 113.93 2cqy n LYS 32 Ca 0.09 0.16 -0.12 0.00 -2.87 0.00 0.00 58.31 55.58 2cqy n LYS 32 Cb 0.53 -1.34 -0.06 0.00 -1.84 0.00 0.00 35.03 32.31 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 -6.52 -0.22 0.28 4.39 1.47 -1.26 -5.02 116.67 109.79 2cqy s ASP 33 Ca -0.29 -0.15 -0.03 0.00 1.18 0.00 0.00 52.55 53.25 2cqy s ASP 33 Cb 0.10 0.42 0.56 0.00 -0.34 0.00 0.00 42.92 43.66 2cqy s ASP 33 CO 0.43 -0.71 1.47 0.00 0.68 0.00 0.00 175.17 177.04 2cqy n ALA 34 N 0.30 0.34 -0.05 2.11 0.00 -1.26 0.50 120.51 122.45 2cqy n ALA 34 Ca -0.18 1.02 -0.08 0.00 0.00 0.00 0.00 53.44 54.21 2cqy n ALA 34 Cb 0.61 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.08 -0.45 0.00 5.08 -1.97 -0.91 114.58 116.25 2cqy h GLU 35 Ca 0.51 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.88 2cqy h GLU 35 Cb 0.91 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2cqy h GLU 35 CO -0.93 -0.05 0.30 1.49 -1.00 0.00 0.00 179.01 178.82 2cqy h GLU 36 N -0.08 0.58 -0.36 2.33 4.57 -0.34 -1.53 114.58 119.74 2cqy h GLU 36 Ca 0.12 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 2cqy h GLU 36 Cb 0.26 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2cqy h GLU 36 CO -0.28 0.38 0.02 0.00 -1.18 0.00 0.00 179.01 177.95 2cqy h ALA 37 N 1.72 1.35 -0.15 2.92 0.00 0.20 -2.21 119.26 123.09 2cqy h ALA 37 Ca 0.17 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2cqy h ALA 37 Cb -0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2cqy h ALA 37 CO -0.04 0.45 -0.08 0.28 0.00 0.00 0.00 179.25 179.86 2cqy h VAL 38 N 0.54 1.32 0.55 0.00 2.07 -0.53 -2.40 116.25 117.79 2cqy h VAL 38 Ca 0.12 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 2cqy h VAL 38 Cb 0.32 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2cqy h VAL 38 CO 0.01 0.33 -0.34 0.03 0.02 0.00 0.00 177.57 177.63 2cqy h ARG 39 N -0.02 -0.81 -0.32 1.57 3.08 -1.32 -2.23 114.38 114.33 2cqy h ARG 39 Ca 0.03 0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.21 2cqy h ARG 39 Cb 0.56 0.19 -0.08 0.00 0.08 0.00 0.00 29.97 30.72 2cqy h ARG 39 CO 0.02 -0.54 -0.22 0.82 -1.07 0.00 0.00 179.97 178.98 2cqy h ILE 40 N -0.85 0.41 -0.26 2.04 2.04 -1.48 -2.37 117.51 117.05 2cqy h ILE 40 Ca -0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.84 2cqy h ILE 40 Cb 0.69 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 37.10 2cqy h ILE 40 CO 0.07 0.00 -0.48 0.00 0.00 0.00 0.00 178.15 177.74 2cqy h ALA 41 N 0.98 -0.65 -0.81 1.87 0.00 -1.31 -0.81 119.26 118.54 2cqy h ALA 41 Ca 0.17 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.27 2cqy h ALA 41 Cb 0.44 0.93 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 2cqy h ALA 41 CO -0.43 -0.97 0.05 0.00 0.00 0.00 0.00 179.25 177.90 2cqy h ARG 42 N -0.45 0.11 -0.68 0.00 3.08 -0.91 0.34 114.38 115.87 2cqy h ARG 42 Ca 0.08 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.19 2cqy h ARG 42 Cb 0.63 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.59 2cqy h ARG 42 CO -0.49 0.08 0.37 0.93 -1.07 0.00 0.00 179.97 179.78 2cqy h GLU 43 N 0.12 0.65 -0.45 0.04 4.39 -0.74 -2.21 114.58 116.39 2cqy h GLU 43 Ca 0.46 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 60.00 2cqy h GLU 43 Cb 0.85 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2cqy h GLU 43 CO -0.69 0.43 -0.22 0.82 -1.16 0.00 0.00 179.01 178.19 2cqy h ILE 44 N 0.67 1.27 0.00 3.13 2.04 0.24 -3.47 117.51 121.40 2cqy h ILE 44 Ca 0.31 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2cqy h ILE 44 Cb 0.23 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2cqy h ILE 44 CO -0.20 0.47 0.00 0.61 0.00 0.00 0.00 178.15 179.03 2cqy n GLY 45 N -0.08 0.98 3.66 5.37 0.00 0.43 -4.95 105.19 110.60 2cqy n GLY 45 Ca -0.01 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 2cqy n GLY 45 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2cqy n TYR 46 N 1.89 1.16 -1.39 1.61 4.01 -1.26 -4.48 117.16 118.70 2cqy n TYR 46 Ca 0.00 0.41 -0.32 0.00 -0.16 0.00 0.00 57.90 57.83 2cqy n TYR 46 Cb 0.00 -2.14 0.08 0.00 -0.31 0.00 0.00 39.34 36.97 2cqy n TYR 46 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2cqy s PRO 47 N -3.50 2.40 -0.07 -0.72 0.04 -1.26 -5.03 135.00 126.86 2cqy s PRO 47 Ca 0.76 1.23 0.01 0.00 0.04 0.00 0.00 61.00 63.04 2cqy s PRO 47 Cb -0.35 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.31 2cqy s PRO 47 CO 0.47 -1.54 -0.06 0.14 0.04 0.00 0.00 177.00 176.05 2cqy s VAL 48 N -2.75 0.75 0.10 -0.36 -7.23 0.59 -2.84 120.40 108.66 2cqy s VAL 48 Ca 0.63 -0.21 -0.21 0.00 -1.81 0.00 0.00 61.98 60.38 2cqy s VAL 48 Cb -0.18 -0.76 -0.07 0.00 0.56 0.00 0.00 36.38 35.92 2cqy s VAL 48 CO 0.52 0.29 0.62 -0.32 -0.31 0.00 0.00 175.10 175.90 2cqy s MET 49 N 1.14 4.28 -0.06 4.82 1.75 0.50 -1.01 119.30 130.72 2cqy s MET 49 Ca -0.07 0.83 0.05 0.00 -1.25 0.00 0.00 55.69 55.26 2cqy s MET 49 Cb -0.14 -3.23 -0.01 0.00 2.84 0.00 0.00 34.83 34.29 2cqy s MET 49 CO -0.01 0.62 -0.24 0.42 -0.65 0.00 0.00 175.02 175.16 2cqy s ILE 50 N -1.13 1.96 0.09 10.11 1.01 -0.93 -0.26 121.20 132.05 2cqy s ILE 50 Ca 0.31 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.99 2cqy s ILE 50 Cb -0.20 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 2cqy s ILE 50 CO 0.21 0.54 -0.10 -0.54 0.00 0.00 0.00 174.94 175.05 2cqy s LYS 51 N -0.02 0.83 -0.44 2.79 1.02 -0.74 -3.56 119.74 119.62 2cqy s LYS 51 Ca -0.07 -1.15 -0.29 0.00 0.02 0.00 0.00 55.97 54.48 2cqy s LYS 51 Cb -0.14 -0.50 0.02 0.00 -0.52 0.00 0.00 37.83 36.69 2cqy s LYS 51 CO 0.05 0.07 1.20 0.00 -0.92 0.00 0.00 175.35 175.75 2cqy s ALA 52 N -2.46 3.16 0.39 5.17 0.00 -1.26 0.20 121.76 126.96 2cqy s ALA 52 Ca 0.05 -0.35 0.20 0.00 0.00 0.00 0.00 51.96 51.86 2cqy s ALA 52 Cb -0.03 -3.89 1.18 0.00 0.00 0.00 0.00 23.12 20.39 2cqy s ALA 52 CO -0.00 -2.21 1.70 1.03 0.00 0.00 0.00 175.76 176.27 2cqy h SER 53 N 9.48 0.42 -0.26 0.00 0.87 0.12 2.08 113.55 126.25 2cqy h SER 53 Ca -0.24 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 2cqy h SER 53 Cb 1.07 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 2cqy h SER 53 CO 1.11 -0.04 0.07 0.00 -0.53 0.00 0.00 176.83 177.44 2cqy h ALA 54 N 1.67 1.50 0.00 6.23 0.00 -1.86 -3.38 119.26 123.43 2cqy h ALA 54 Ca 0.70 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 55.25 2cqy h ALA 54 Cb 1.83 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 19.34 2cqy h ALA 54 CO -0.41 0.37 -0.35 0.41 0.00 0.00 0.00 179.25 179.27 2cqy n GLY 55 N -1.08 0.07 3.74 0.00 0.00 0.32 -5.00 105.19 103.25 2cqy n GLY 55 Ca 0.02 0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 0.66 0.69 3.15 -0.02 0.00 0.62 -4.55 105.19 105.74 2cqy n GLY 56 Ca 0.04 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.08 2cqy n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cqy s GLY 57 N -1.04 -1.11 0.27 -0.02 0.00 -1.26 -4.92 107.32 99.24 2cqy s GLY 57 Ca 0.75 1.48 0.14 0.00 0.00 0.00 0.00 44.72 47.09 2cqy s GLY 57 CO 0.47 3.73 1.17 0.61 0.00 0.00 0.00 173.10 179.08 2cqy n GLY 58 N 5.36 -0.62 3.43 0.20 0.00 -1.26 -2.89 105.19 109.41 2cqy n GLY 58 Ca 0.04 0.62 -0.44 0.00 0.00 0.00 0.00 46.02 46.25 2cqy n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cqy s LYS 59 N -5.21 3.11 0.00 1.61 -0.14 -1.26 -4.09 119.74 113.76 2cqy s LYS 59 Ca -0.07 -0.94 0.00 0.00 -1.36 0.00 0.00 55.97 53.60 2cqy s LYS 59 Cb 0.25 -4.22 0.00 0.00 -1.68 0.00 0.00 37.83 32.18 2cqy s LYS 59 CO 0.58 -1.68 0.00 0.41 -0.76 0.00 0.00 175.35 173.90 2cqy n GLY 60 N 5.29 3.86 1.57 -3.33 0.00 -1.21 -5.12 105.19 106.25 2cqy n GLY 60 Ca -0.05 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 -3.26 -4.37 1.61 0.00 -1.14 -5.05 117.12 104.90 2cqy n MET 61 Ca 0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 57.70 56.77 2cqy n MET 61 Cb 0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 33.22 32.18 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 -3.92 1.39 0.08 3.17 3.52 -1.23 -5.06 118.95 116.89 2cqy s ARG 62 Ca 0.32 -1.50 0.10 0.00 -0.13 0.00 0.00 55.73 54.52 2cqy s ARG 62 Cb -0.06 -1.49 -0.03 0.00 -1.56 0.00 0.00 34.95 31.81 2cqy s ARG 62 CO 0.27 0.30 -0.26 0.42 -0.81 0.00 0.00 175.30 175.22 2cqy s ILE 63 N -2.10 2.16 0.08 4.11 1.01 -1.26 -2.20 121.20 123.00 2cqy s ILE 63 Ca 0.19 -1.53 0.09 0.00 0.00 0.00 0.00 60.65 59.40 2cqy s ILE 63 Cb -0.06 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 2cqy s ILE 63 CO 0.08 0.24 -0.24 0.00 0.00 0.00 0.00 174.94 175.03 2cqy s ALA 64 N -0.91 2.41 -0.02 9.38 0.00 -0.18 -4.95 121.76 127.49 2cqy s ALA 64 Ca 0.12 -1.32 0.06 0.00 0.00 0.00 0.00 51.96 50.81 2cqy s ALA 64 Cb -0.10 -0.52 -0.08 0.00 0.00 0.00 0.00 23.12 22.42 2cqy s ALA 64 CO 0.04 0.55 0.10 0.91 0.00 0.00 0.00 175.76 177.36 2cqy n TRP 65 N 1.36 0.00 -4.15 0.00 7.02 -1.26 -0.30 117.44 120.11 2cqy n TRP 65 Ca -0.17 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.21 2cqy n TRP 65 Cb 0.52 -0.16 -0.10 0.00 -2.42 0.00 0.00 31.31 29.15 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 -2.90 0.28 0.18 -0.99 1.01 -1.26 -4.71 116.67 108.29 2cqy s ASP 66 Ca -0.02 -1.21 -0.23 0.00 0.71 0.00 0.00 52.55 51.80 2cqy s ASP 66 Cb 0.03 0.31 0.09 0.00 1.01 0.00 0.00 42.92 44.36 2cqy s ASP 66 CO 0.23 -0.75 1.58 0.44 0.21 0.00 0.00 175.17 176.89 2cqy h ASP 67 N 2.83 -1.27 -0.82 0.27 5.19 -1.97 0.19 116.42 120.84 2cqy h ASP 67 Ca -0.35 0.23 0.17 0.00 -0.62 0.00 0.00 57.03 56.46 2cqy h ASP 67 Cb 1.20 0.61 -0.11 0.00 0.18 0.00 0.00 39.33 41.22 2cqy h ASP 67 CO 0.58 -0.32 0.35 1.05 -3.12 0.00 0.00 179.24 177.78 2cqy h GLU 68 N -0.19 0.44 -0.52 3.56 4.11 -2.00 0.03 114.58 120.02 2cqy h GLU 68 Ca 0.21 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.56 2cqy h GLU 68 Cb 0.56 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2cqy h GLU 68 CO -0.67 0.29 0.11 0.93 0.07 0.00 0.00 179.01 179.74 2cqy h GLU 69 N 0.46 0.84 -0.24 1.06 5.08 -1.14 -1.43 114.58 119.21 2cqy h GLU 69 Ca 0.47 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2cqy h GLU 69 Cb 0.77 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2cqy h GLU 69 CO -0.44 0.82 0.03 1.15 -1.00 0.00 0.00 179.01 179.57 2cqy h THR 70 N 0.73 0.87 -0.10 1.13 2.02 0.95 0.16 112.91 118.68 2cqy h THR 70 Ca 0.16 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 2cqy h THR 70 Cb 0.36 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2cqy h THR 70 CO 0.01 0.02 0.03 0.03 0.37 0.00 0.00 175.52 175.98 2cqy h ARG 71 N 0.12 0.15 -0.59 6.66 3.08 -1.19 0.37 114.38 122.99 2cqy h ARG 71 Ca 0.11 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.18 2cqy h ARG 71 Cb 0.12 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 2cqy h ARG 71 CO -0.16 0.30 0.31 -0.44 -1.07 0.00 0.00 179.97 178.91 2cqy h ASP 72 N -0.03 0.45 0.59 7.04 3.32 -1.02 -1.38 116.42 125.40 2cqy h ASP 72 Ca 0.03 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.94 2cqy h ASP 72 Cb 0.21 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2cqy h ASP 72 CO -0.00 0.30 -0.77 1.23 -1.72 0.00 0.00 179.24 178.28 2cqy h GLY 73 N 0.59 0.15 1.20 2.75 0.00 -0.57 -3.19 103.07 104.00 2cqy h GLY 73 Ca 0.26 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 2cqy h GLY 73 CO -0.17 0.21 0.16 -2.75 0.00 0.00 0.00 176.54 173.99 2cqy h PHE 74 N 0.08 1.03 -0.01 5.60 3.04 0.35 0.29 116.94 127.32 2cqy h PHE 74 Ca -0.02 -0.11 -0.00 0.00 3.98 0.00 0.00 57.97 61.82 2cqy h PHE 74 Cb 1.35 -0.30 -0.00 0.00 2.56 0.00 0.00 35.95 39.56 2cqy h PHE 74 CO 0.02 0.84 0.01 0.00 -2.02 0.00 0.00 178.31 177.15 2cqy h ARG 75 N 0.95 0.02 0.25 1.11 3.08 -1.27 -0.96 114.38 117.56 2cqy h ARG 75 Ca 0.20 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2cqy h ARG 75 Cb 0.32 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2cqy h ARG 75 CO -0.00 0.17 -0.12 -0.07 -1.07 0.00 0.00 179.97 178.87 2cqy h LEU 76 N -0.13 -0.29 -1.96 3.04 3.38 -1.52 -1.15 115.31 116.68 2cqy h LEU 76 Ca 0.00 -0.24 0.19 0.00 0.09 0.00 0.00 57.88 57.93 2cqy h LEU 76 Cb 0.16 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2cqy h LEU 76 CO -0.00 0.17 0.56 -1.28 0.09 0.00 0.00 178.44 177.98 2cqy h SER 77 N -0.84 0.00 0.00 -0.43 0.87 -0.49 -1.18 113.55 111.47 2cqy h SER 77 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2cqy h SER 77 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2cqy h SER 77 CO 0.06 0.00 -0.03 -1.28 -0.53 0.00 0.00 176.83 175.05 2cqy h SER 78 N 0.00 0.00 -1.36 6.23 0.87 -1.09 -3.19 113.55 115.01 2cqy h SER 78 Ca 0.32 0.00 0.40 0.00 -1.23 0.00 0.00 61.79 61.27 2cqy h SER 78 Cb 1.43 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.33 2cqy h SER 78 CO -0.00 0.30 1.08 0.06 -0.53 0.00 0.00 176.83 177.74 2cqy h GLN 79 N -0.57 0.00 0.17 2.24 3.07 -0.87 -1.12 115.11 118.03 2cqy h GLN 79 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 2cqy h GLN 79 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.59 2cqy h GLN 79 CO 0.00 0.00 -0.08 0.93 0.09 0.00 0.00 178.83 179.77 2cqy h GLU 80 N 0.00 -0.22 -1.04 0.06 4.39 -1.34 -3.19 114.58 113.24 2cqy h GLU 80 Ca 0.65 0.02 0.29 0.00 0.34 0.00 0.00 59.36 60.66 2cqy h GLU 80 Cb 2.80 0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 31.37 2cqy h GLU 80 CO -0.01 -0.15 0.63 0.00 -1.16 0.00 0.00 179.01 178.32 2cqy h ALA 81 N -1.74 2.04 -0.07 3.43 0.00 -1.22 0.33 119.26 122.02 2cqy h ALA 81 Ca -0.02 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2cqy h ALA 81 Cb 0.18 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2cqy h ALA 81 CO 0.04 -0.56 -0.42 0.00 0.00 0.00 0.00 179.25 178.31 2cqy h ALA 82 N 1.73 -0.81 -0.01 0.00 0.00 0.48 -1.84 119.26 118.82 2cqy h ALA 82 Ca 0.68 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 2cqy h ALA 82 Cb 1.57 0.89 0.00 0.00 0.00 0.00 0.00 17.79 20.25 2cqy h ALA 82 CO -0.48 -0.96 -0.04 0.66 0.00 0.00 0.00 179.25 178.44 2cqy h SER 83 N -0.48 0.05 0.00 0.00 4.64 -1.28 -0.03 113.55 116.45 2cqy h SER 83 Ca 0.02 -0.70 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 2cqy h SER 83 Cb 0.54 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2cqy h SER 83 CO -0.32 0.74 0.00 -1.20 -0.87 0.00 0.00 176.83 175.18 2cqy n SER 84 N -4.71 0.00 -0.11 4.97 7.64 0.10 -3.96 113.62 117.55 2cqy n SER 84 Ca -0.09 0.68 -0.21 0.00 1.01 0.00 0.00 58.87 60.26 2cqy n SER 84 Cb 0.37 -0.25 -0.09 0.00 -1.01 0.00 0.00 64.21 63.23 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 -2.07 0.48 0.00 1.43 3.72 -0.75 -5.04 117.46 115.23 2cqy n PHE 85 Ca 0.00 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 2cqy n PHE 85 Cb 0.00 -0.94 0.00 0.00 -0.94 0.00 0.00 39.48 37.60 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 1.39 0.93 3.92 1.37 0.00 -0.03 -5.04 105.19 107.73 2cqy n GLY 86 Ca -0.36 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 5.92 -0.15 1.61 1.11 -1.22 -4.63 116.67 119.30 2cqy s ASP 87 Ca 0.00 -0.13 0.16 0.00 0.18 0.00 0.00 52.55 52.76 2cqy s ASP 87 Cb 0.00 -1.52 0.53 0.00 1.07 0.00 0.00 42.92 43.00 2cqy s ASP 87 CO 0.00 -0.16 1.44 -0.90 1.18 0.00 0.00 175.17 176.74 2cqy n ASP 88 N -1.38 3.97 -4.65 0.27 5.75 -1.26 -0.05 116.55 119.19 2cqy n ASP 88 Ca -0.06 -2.81 -0.42 0.00 -0.01 0.00 0.00 54.79 51.48 2cqy n ASP 88 Cb 0.58 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 2cqy n ASP 88 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2cqy s ARG 89 N -2.47 4.05 0.50 0.11 0.52 -1.26 -4.77 118.95 115.63 2cqy s ARG 89 Ca 0.41 2.38 0.08 0.00 -0.52 0.00 0.00 55.73 58.07 2cqy s ARG 89 Cb 0.31 -4.12 0.03 0.00 0.52 0.00 0.00 34.95 31.70 2cqy s ARG 89 CO 0.12 -1.03 0.53 -0.51 0.02 0.00 0.00 175.30 174.42 2cqy s LEU 90 N 4.68 3.15 0.10 2.53 1.43 -1.26 0.15 118.68 129.46 2cqy s LEU 90 Ca 0.84 -0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2cqy s LEU 90 Cb -0.38 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 2cqy s LEU 90 CO 0.37 -0.99 0.06 -0.76 0.23 0.00 0.00 176.35 175.25 2cqy s LEU 91 N -4.35 1.94 -0.03 1.79 1.43 0.52 -2.84 118.68 117.15 2cqy s LEU 91 Ca 0.49 -1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 2cqy s LEU 91 Cb -0.04 0.40 0.02 0.00 0.03 0.00 0.00 46.19 46.60 2cqy s LEU 91 CO 0.30 -0.69 0.06 -0.63 0.23 0.00 0.00 176.35 175.61 2cqy s ILE 92 N -3.98 -0.04 0.09 -0.59 1.01 -1.26 -1.79 121.20 114.65 2cqy s ILE 92 Ca 0.15 0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 2cqy s ILE 92 Cb 0.07 -0.10 -0.04 0.00 0.01 0.00 0.00 42.46 42.40 2cqy s ILE 92 CO -0.04 0.05 0.04 -1.61 0.00 0.00 0.00 174.94 173.38 2cqy s GLU 93 N 0.69 0.79 0.05 2.79 0.41 0.64 -3.53 118.70 120.54 2cqy s GLU 93 Ca -0.06 -1.29 -0.30 0.00 -0.41 0.00 0.00 54.97 52.91 2cqy s GLU 93 Cb -0.08 0.24 -0.05 0.00 -1.78 0.00 0.00 34.13 32.47 2cqy s GLU 93 CO -0.02 -0.20 1.09 0.21 -0.49 0.00 0.00 175.26 175.84 2cqy s LYS 94 N -3.97 4.51 -0.25 1.61 2.47 -1.26 -0.37 119.74 122.48 2cqy s LYS 94 Ca 0.15 1.60 -0.08 0.00 -1.56 0.00 0.00 55.97 56.08 2cqy s LYS 94 Cb 0.07 -3.39 -0.03 0.00 -1.46 0.00 0.00 37.83 33.02 2cqy s LYS 94 CO -0.04 -0.11 0.09 0.12 0.16 0.00 0.00 175.35 175.56 2cqy s PHE 95 N 0.86 3.11 -0.20 4.03 2.19 -1.13 -4.75 117.98 122.08 2cqy s PHE 95 Ca 0.54 -0.35 -0.01 0.00 0.33 0.00 0.00 56.93 57.44 2cqy s PHE 95 Cb -0.26 -2.26 0.06 0.00 -1.31 0.00 0.00 43.02 39.25 2cqy s PHE 95 CO 0.29 -0.33 -0.01 0.42 1.83 0.00 0.00 175.22 177.42 2cqy s ILE 96 N 1.64 0.99 -0.07 3.12 1.01 -1.26 -4.41 121.20 122.22 2cqy s ILE 96 Ca 0.06 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 2cqy s ILE 96 Cb -0.15 -1.34 -0.09 0.00 0.01 0.00 0.00 42.46 40.88 2cqy s ILE 96 CO 0.05 -0.10 0.50 -0.78 0.00 0.00 0.00 174.94 174.61 2cqy h ASP 97 N 8.12 -0.19 -4.17 3.58 1.82 -2.00 -3.46 116.42 120.11 2cqy h ASP 97 Ca -0.18 -0.18 -0.52 0.00 -0.39 0.00 0.00 57.03 55.76 2cqy h ASP 97 Cb 1.10 0.05 0.12 0.00 0.68 0.00 0.00 39.33 41.28 2cqy h ASP 97 CO 0.37 0.34 0.40 0.54 -1.61 0.00 0.00 179.24 179.28 2cqy s ASN 98 N -5.39 4.88 0.00 2.28 2.20 -1.26 -4.89 114.94 112.75 2cqy s ASN 98 Ca -0.08 2.18 0.15 0.00 -0.94 0.00 0.00 52.86 54.17 2cqy s ASN 98 Cb 0.00 -2.57 0.82 0.00 -2.00 0.00 0.00 41.25 37.50 2cqy s ASN 98 CO 0.26 -1.79 1.39 -0.81 -2.94 0.00 0.00 177.10 173.21 2cqy n PRO 99 N -2.31 0.31 -3.27 3.55 -0.04 -1.26 -4.87 135.00 127.12 2cqy n PRO 99 Ca 0.12 0.09 -0.16 0.00 -0.04 0.00 0.00 63.50 63.51 2cqy n PRO 99 Cb 0.51 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.55 2cqy n PRO 99 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2cqy n ARG 100 N -1.18 -5.91 -0.20 0.54 3.00 -1.26 -4.92 116.66 106.73 2cqy n ARG 100 Ca 0.09 0.73 -0.07 0.00 -0.00 0.00 0.00 57.85 58.59 2cqy n ARG 100 Cb 0.09 -5.39 0.02 0.00 0.00 0.00 0.00 32.46 27.19 2cqy n ARG 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2cqy h HIS 101 N -1.76 0.84 -2.93 -0.14 -0.00 -2.03 -3.40 115.15 105.73 2cqy h HIS 101 Ca -0.50 -0.05 -0.57 0.00 -0.00 0.00 0.00 60.37 59.24 2cqy h HIS 101 Cb 1.30 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 28.41 2cqy h HIS 101 CO 0.39 0.67 1.15 0.42 -0.00 0.00 0.00 177.93 180.56 2cqy s ILE 102 N -5.62 3.71 -0.23 6.26 -1.09 -1.26 -4.97 121.20 117.99 2cqy s ILE 102 Ca -0.13 0.75 0.01 0.00 -2.23 0.00 0.00 60.65 59.05 2cqy s ILE 102 Cb 0.12 -3.88 0.06 0.00 -1.58 0.00 0.00 42.46 37.18 2cqy s ILE 102 CO 0.78 -0.51 -0.06 -0.44 -1.23 0.00 0.00 174.94 173.48 2cqy s SER 103 N 4.73 3.80 0.08 3.58 0.01 -1.26 -5.12 113.70 119.51 2cqy s SER 103 Ca 0.70 -1.14 -0.07 0.00 1.31 0.00 0.00 55.95 56.75 2cqy s SER 103 Cb -0.20 -1.18 -0.05 0.00 0.21 0.00 0.00 66.02 64.80 2cqy s SER 103 CO 0.32 -0.23 0.35 -0.83 0.41 0.00 0.00 173.24 173.26 2cqy s GLY 104 N 1.40 2.28 0.03 3.44 0.00 -1.26 -5.05 107.32 108.15 2cqy s GLY 104 Ca -0.05 -0.51 -0.30 0.00 0.00 0.00 0.00 44.72 43.85 2cqy s GLY 104 CO -0.06 -0.35 1.43 2.56 0.00 0.00 0.00 173.10 176.67 2cqy s PRO 105 N -2.12 4.28 0.50 2.90 0.04 -1.26 -5.01 135.00 134.33 2cqy s PRO 105 Ca 0.34 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 63.22 2cqy s PRO 105 Cb -0.13 -3.52 -0.08 0.00 0.04 0.00 0.00 34.50 30.81 2cqy s PRO 105 CO 0.20 -0.57 1.00 0.45 0.04 0.00 0.00 177.00 178.12 2cqy s SER 106 N 1.81 6.51 -0.30 6.66 0.15 -1.26 -5.06 113.70 122.21 2cqy s SER 106 Ca 0.65 1.74 -0.13 0.00 0.70 0.00 0.00 55.95 58.90 2cqy s SER 106 Cb -0.33 -2.53 0.17 0.00 -1.71 0.00 0.00 66.02 61.62 2cqy s SER 106 CO 0.28 -0.67 1.00 -0.94 1.20 0.00 0.00 173.24 174.11 2cqy s SER 107 N -2.49 -0.57 0.00 5.45 1.04 -1.26 -5.18 113.70 110.69 2cqy s SER 107 Ca 0.63 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2cqy s SER 107 Cb -0.12 1.57 0.00 0.00 0.10 0.00 0.00 66.02 67.56 2cqy s SER 107 CO 0.24 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.96