#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 -0.48 -0.24 1.61 0.15 -1.26 -5.18 113.70 108.30 2cqy s SER 2 Ca 0.00 0.52 -0.29 0.00 0.70 0.00 0.00 55.95 56.87 2cqy s SER 2 Cb 0.00 0.40 0.17 0.00 -1.71 0.00 0.00 66.02 64.87 2cqy s SER 2 CO 0.00 -0.45 1.22 -0.55 1.20 0.00 0.00 173.24 174.66 2cqy s SER 3 N -1.17 -0.17 -0.16 5.45 0.15 -1.26 -5.18 113.70 111.36 2cqy s SER 3 Ca -0.05 0.19 -0.20 0.00 0.70 0.00 0.00 55.95 56.59 2cqy s SER 3 Cb -0.00 0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.50 2cqy s SER 3 CO 0.05 -0.15 0.53 -0.83 1.20 0.00 0.00 173.24 174.04 2cqy s GLY 4 N -1.03 -0.40 -0.30 9.45 0.00 -1.26 -5.15 107.32 108.63 2cqy s GLY 4 Ca 0.05 1.37 -0.15 0.00 0.00 0.00 0.00 44.72 45.99 2cqy s GLY 4 CO -0.04 1.14 0.99 -0.45 0.00 0.00 0.00 173.10 174.74 2cqy s SER 5 N -0.07 -0.57 -0.04 1.64 0.15 -1.26 -5.09 113.70 108.47 2cqy s SER 5 Ca -0.03 0.79 -0.08 0.00 0.70 0.00 0.00 55.95 57.33 2cqy s SER 5 Cb -0.03 1.61 -0.03 0.00 -1.71 0.00 0.00 66.02 65.85 2cqy s SER 5 CO 0.02 -0.11 -0.15 -0.24 1.20 0.00 0.00 173.24 173.96 2cqy n SER 6 N 4.83 1.31 -3.24 5.45 2.88 -1.26 -5.07 113.62 118.52 2cqy n SER 6 Ca -0.10 0.20 -0.26 0.00 -1.33 0.00 0.00 58.87 57.38 2cqy n SER 6 Cb 0.53 -0.51 0.03 0.00 -0.75 0.00 0.00 64.21 63.51 2cqy n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqy n GLY 7 N 2.43 0.13 3.16 0.46 0.00 -1.26 -4.95 105.19 105.16 2cqy n GLY 7 Ca -0.06 0.76 -0.33 0.00 0.00 0.00 0.00 46.02 46.38 2cqy n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cqy s ASP 8 N -1.22 3.22 -0.24 1.61 2.15 -1.26 -5.10 116.67 115.83 2cqy s ASP 8 Ca 0.25 -0.60 -0.28 0.00 0.43 0.00 0.00 52.55 52.34 2cqy s ASP 8 Cb -0.03 -1.48 0.16 0.00 -0.30 0.00 0.00 42.92 41.27 2cqy s ASP 8 CO 0.57 0.04 1.19 -1.59 -0.17 0.00 0.00 175.17 175.21 2cqy s LYS 9 N 1.05 0.33 -0.29 4.34 -2.85 -1.26 -5.18 119.74 115.87 2cqy s LYS 9 Ca -0.01 0.15 -0.25 0.00 -1.00 0.00 0.00 55.97 54.86 2cqy s LYS 9 Cb -0.14 0.16 0.16 0.00 -2.06 0.00 0.00 37.83 35.94 2cqy s LYS 9 CO -0.07 -0.09 1.23 -1.50 0.10 0.00 0.00 175.35 175.03 2cqy s ILE 10 N -0.75 0.00 -0.21 3.79 2.07 -1.26 -5.18 121.20 119.65 2cqy s ILE 10 Ca 0.04 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 58.97 2cqy s ILE 10 Cb -0.02 -1.00 0.15 0.00 0.13 0.00 0.00 42.46 41.73 2cqy s ILE 10 CO -0.05 0.00 1.18 -1.83 -1.91 0.00 0.00 174.94 172.33 2cqy s GLU 11 N 0.12 0.33 -0.30 3.50 4.04 -1.26 -5.16 118.70 119.97 2cqy s GLU 11 Ca 0.05 0.02 -0.09 0.00 0.04 0.00 0.00 54.97 54.99 2cqy s GLU 11 Cb -0.05 0.15 0.15 0.00 0.02 0.00 0.00 34.13 34.40 2cqy s GLU 11 CO -0.11 -0.11 0.71 0.45 -1.84 0.00 0.00 175.26 174.35 2cqy s SER 12 N -1.36 -1.09 0.33 0.83 0.15 -1.26 -5.17 113.70 106.13 2cqy s SER 12 Ca 0.05 1.27 -0.12 0.00 0.70 0.00 0.00 55.95 57.85 2cqy s SER 12 Cb -0.01 2.15 0.02 0.00 -1.71 0.00 0.00 66.02 66.47 2cqy s SER 12 CO -0.04 -0.21 0.62 -1.59 1.20 0.00 0.00 173.24 173.23 2cqy s LYS 13 N 2.82 1.94 -0.28 5.44 -2.85 -1.26 -5.08 119.74 120.47 2cqy s LYS 13 Ca 0.00 -1.43 0.16 0.00 -1.00 0.00 0.00 55.97 53.69 2cqy s LYS 13 Cb -0.12 0.54 0.48 0.00 -2.06 0.00 0.00 37.83 36.67 2cqy s LYS 13 CO -0.19 -0.86 1.13 1.28 0.10 0.00 0.00 175.35 176.82 2cqy n LEU 14 N -0.50 3.03 -3.41 2.77 4.77 -1.26 -5.01 117.00 117.40 2cqy n LEU 14 Ca -0.04 -3.85 0.01 0.00 -0.03 0.00 0.00 56.01 52.11 2cqy n LEU 14 Cb 0.61 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.78 2cqy n LEU 14 CO 0.25 1.54 0.21 -0.22 -1.33 0.00 0.00 177.39 177.84 2cqy s LEU 15 N -3.67 -1.25 -0.22 2.23 2.96 -1.26 -5.14 118.68 112.32 2cqy s LEU 15 Ca 0.37 1.23 0.01 0.00 -0.22 0.00 0.00 54.13 55.52 2cqy s LEU 15 Cb 0.37 2.22 0.03 0.00 0.50 0.00 0.00 46.19 49.31 2cqy s LEU 15 CO -0.01 -0.24 -0.13 0.00 -1.32 0.00 0.00 176.35 174.65 2cqy s ALA 16 N 2.87 2.52 -0.46 5.97 0.00 -1.26 -5.08 121.76 126.32 2cqy s ALA 16 Ca 0.07 -1.44 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 2cqy s ALA 16 Cb -0.13 -1.46 0.10 0.00 0.00 0.00 0.00 23.12 21.63 2cqy s ALA 16 CO -0.20 -0.71 0.35 0.15 0.00 0.00 0.00 175.76 175.34 2cqy s LYS 17 N 1.26 2.64 0.12 0.00 1.02 -1.26 -4.91 119.74 118.61 2cqy s LYS 17 Ca -0.00 -1.62 0.21 0.00 0.02 0.00 0.00 55.97 54.58 2cqy s LYS 17 Cb -0.16 -3.96 0.85 0.00 -0.52 0.00 0.00 37.83 34.05 2cqy s LYS 17 CO -0.08 -1.12 1.65 0.36 -0.92 0.00 0.00 175.35 175.24 2cqy n LYS 18 N 4.99 0.10 -3.93 1.68 2.85 -1.26 -4.39 118.16 118.20 2cqy n LYS 18 Ca -0.10 0.28 -0.31 0.00 -1.05 0.00 0.00 58.31 57.13 2cqy n LYS 18 Cb 0.42 -1.67 -0.15 0.00 -0.65 0.00 0.00 35.03 32.97 2cqy n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2cqy s ALA 19 N -3.13 2.30 -0.07 0.58 0.00 -1.26 -5.11 121.76 115.07 2cqy s ALA 19 Ca 0.07 -1.97 0.03 0.00 0.00 0.00 0.00 51.96 50.09 2cqy s ALA 19 Cb 0.11 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 2cqy s ALA 19 CO 0.38 -1.53 -0.16 -1.21 0.00 0.00 0.00 175.76 173.25 2cqy s GLU 20 N 1.22 2.68 -0.26 0.00 2.02 -1.26 -5.11 118.70 117.99 2cqy s GLU 20 Ca 0.05 -0.73 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 2cqy s GLU 20 Cb -0.19 -2.39 0.04 0.00 0.10 0.00 0.00 34.13 31.70 2cqy s GLU 20 CO -0.12 0.50 -0.06 0.08 0.02 0.00 0.00 175.26 175.68 2cqy s VAL 21 N -0.41 2.68 -0.56 2.63 1.01 -1.26 -5.01 120.40 119.48 2cqy s VAL 21 Ca 0.05 -1.30 0.05 0.00 0.00 0.00 0.00 61.98 60.78 2cqy s VAL 21 Cb -0.12 -2.46 0.36 0.00 0.00 0.00 0.00 36.38 34.15 2cqy s VAL 21 CO 0.02 0.06 1.01 -0.46 0.00 0.00 0.00 175.10 175.73 2cqy n ASN 22 N 4.59 4.64 -3.66 3.32 0.23 -1.26 -4.99 115.26 118.14 2cqy n ASN 22 Ca -0.15 -3.70 -0.05 0.00 -0.53 0.00 0.00 54.58 50.15 2cqy n ASN 22 Cb 0.45 -0.56 -0.07 0.00 -2.08 0.00 0.00 39.78 37.52 2cqy n ASN 22 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2cqy s THR 23 N -4.70 -0.74 -0.20 5.53 -4.23 -1.26 -5.15 115.64 104.88 2cqy s THR 23 Ca 0.49 0.09 -0.13 0.00 -1.18 0.00 0.00 61.69 60.96 2cqy s THR 23 Cb 0.30 -0.82 -0.05 0.00 1.34 0.00 0.00 72.50 73.28 2cqy s THR 23 CO -0.15 0.04 0.24 -0.63 -0.54 0.00 0.00 174.62 173.58 2cqy s ILE 24 N 2.64 5.32 -1.61 2.99 1.01 -1.26 -4.96 121.20 125.33 2cqy s ILE 24 Ca -0.04 0.40 0.15 0.00 0.00 0.00 0.00 60.65 61.16 2cqy s ILE 24 Cb -0.12 -3.58 0.32 0.00 0.01 0.00 0.00 42.46 39.09 2cqy s ILE 24 CO -0.16 0.35 1.38 -0.81 0.00 0.00 0.00 174.94 175.71 2cqy n PRO 25 N 4.02 0.30 0.00 2.79 -0.04 -1.26 -4.85 135.00 135.95 2cqy n PRO 25 Ca -0.13 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 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 2.69 3.64 0.55 0.00 -1.26 -4.27 105.19 106.51 2cqy n GLY 26 Ca 0.08 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.71 -0.40 -0.05 1.61 5.36 -1.24 -4.86 117.98 115.68 2cqy s PHE 27 Ca 0.00 0.92 0.04 0.00 -0.96 0.00 0.00 56.93 56.92 2cqy s PHE 27 Cb 0.00 0.36 -0.06 0.00 -0.34 0.00 0.00 43.02 42.98 2cqy s PHE 27 CO 0.00 -0.20 0.01 -0.25 -1.46 0.00 0.00 175.22 173.32 2cqy n ASP 28 N 2.57 3.70 -4.47 6.13 8.00 -1.26 -4.34 116.55 126.89 2cqy n ASP 28 Ca -0.14 -0.01 -0.44 0.00 0.71 0.00 0.00 54.79 54.92 2cqy n ASP 28 Cb 0.57 0.52 -0.14 0.00 -0.02 0.00 0.00 41.12 42.05 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 2.76 -0.39 3.64 0.44 0.00 -1.26 -4.78 105.19 105.60 2cqy n GLY 29 Ca -0.09 1.12 -0.47 0.00 0.00 0.00 0.00 46.02 46.59 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 7.38 0.62 -1.02 1.61 3.14 -1.26 -4.80 118.33 124.00 2cqy n VAL 30 Ca 0.63 -0.15 -0.30 0.00 -2.96 0.00 0.00 64.34 61.55 2cqy n VAL 30 Cb 0.05 -1.29 0.16 0.00 -1.06 0.00 0.00 33.84 31.69 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 0.19 2.49 -0.09 1.55 1.01 -1.22 -4.98 120.40 119.35 2cqy s VAL 31 Ca 0.73 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.91 2cqy s VAL 31 Cb -0.73 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 2cqy s VAL 31 CO 0.47 -0.21 -0.03 0.29 0.00 0.00 0.00 175.10 175.63 2cqy n LYS 32 N -4.09 1.54 -3.61 2.72 4.76 -1.26 -4.61 118.16 113.60 2cqy n LYS 32 Ca 0.07 0.03 -0.09 0.00 -2.87 0.00 0.00 58.31 55.45 2cqy n LYS 32 Cb 0.55 -1.20 -0.02 0.00 -1.84 0.00 0.00 35.03 32.52 2cqy n LYS 32 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cqy s ASP 33 N -4.44 -0.38 0.22 4.39 1.11 -1.26 -5.02 116.67 111.29 2cqy s ASP 33 Ca -0.08 -0.23 -0.14 0.00 0.18 0.00 0.00 52.55 52.27 2cqy s ASP 33 Cb 0.03 0.58 0.26 0.00 1.07 0.00 0.00 42.92 44.85 2cqy s ASP 33 CO 0.27 -1.00 1.60 0.00 1.18 0.00 0.00 175.17 177.23 2cqy h ALA 34 N 2.00 0.34 -0.42 5.23 0.00 -1.94 0.28 119.26 124.75 2cqy h ALA 34 Ca -0.26 0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2cqy h ALA 34 Cb 1.27 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 19.61 2cqy h ALA 34 CO 0.30 -0.49 -0.25 1.05 0.00 0.00 0.00 179.25 179.86 2cqy h GLU 35 N -0.04 -0.17 -0.99 0.00 4.11 -1.98 -0.11 114.58 115.39 2cqy h GLU 35 Ca 0.33 0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.78 2cqy h GLU 35 Cb 0.55 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2cqy h GLU 35 CO -0.76 -0.11 0.65 1.49 0.07 0.00 0.00 179.01 180.34 2cqy h GLU 36 N -0.18 1.30 -0.72 1.06 4.81 -1.43 -1.84 114.58 117.59 2cqy h GLU 36 Ca 0.19 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.43 2cqy h GLU 36 Cb 0.49 -0.29 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 2cqy h GLU 36 CO -0.52 0.86 0.47 0.00 -0.73 0.00 0.00 179.01 179.09 2cqy h ALA 37 N 1.36 1.80 -0.07 2.92 0.00 0.71 -0.41 119.26 125.58 2cqy h ALA 37 Ca 0.36 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 2cqy h ALA 37 Cb -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2cqy h ALA 37 CO -0.08 0.06 -0.21 0.28 0.00 0.00 0.00 179.25 179.30 2cqy h VAL 38 N 0.66 1.43 0.22 0.00 2.07 -0.48 -1.62 116.25 118.52 2cqy h VAL 38 Ca 0.32 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 2cqy h VAL 38 Cb 0.40 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2cqy h VAL 38 CO -0.11 0.45 -0.16 0.03 0.02 0.00 0.00 177.57 177.80 2cqy h ARG 39 N -0.25 -0.36 -0.27 1.57 3.08 -0.91 -0.57 114.38 116.67 2cqy h ARG 39 Ca -0.01 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2cqy h ARG 39 Cb 0.83 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 2cqy h ARG 39 CO 0.04 -0.24 0.17 0.82 -1.07 0.00 0.00 179.97 179.69 2cqy h ILE 40 N -0.37 1.09 -0.01 2.04 2.04 -1.19 -2.71 117.51 118.39 2cqy h ILE 40 Ca -0.01 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.69 2cqy h ILE 40 Cb 0.33 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 2cqy h ILE 40 CO 0.00 0.09 -0.24 0.00 0.00 0.00 0.00 178.15 177.99 2cqy h ALA 41 N 1.07 -0.32 -1.00 1.87 0.00 -1.13 -1.52 119.26 118.24 2cqy h ALA 41 Ca 0.10 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.22 2cqy h ALA 41 Cb -0.01 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 2cqy h ALA 41 CO -0.02 -0.74 0.60 0.00 0.00 0.00 0.00 179.25 179.09 2cqy h ARG 42 N -0.38 0.66 -0.55 0.00 3.08 -0.98 0.12 114.38 116.34 2cqy h ARG 42 Ca 0.06 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2cqy h ARG 42 Cb 0.46 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2cqy h ARG 42 CO -0.23 0.44 0.17 0.93 -1.07 0.00 0.00 179.97 180.21 2cqy h GLU 43 N 0.68 0.85 -0.64 0.04 5.08 -0.98 -2.91 114.58 116.70 2cqy h GLU 43 Ca 0.61 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.70 2cqy h GLU 43 Cb 1.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2cqy h GLU 43 CO -0.43 0.78 0.06 0.82 -1.00 0.00 0.00 179.01 179.25 2cqy h ILE 44 N 0.76 1.26 0.00 3.13 2.04 -0.07 -3.49 117.51 121.15 2cqy h ILE 44 Ca 0.18 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2cqy h ILE 44 Cb 0.28 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2cqy h ILE 44 CO -0.01 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.15 2cqy n GLY 45 N -0.54 0.72 3.60 5.37 0.00 -0.16 -4.98 105.19 109.21 2cqy n GLY 45 Ca 0.04 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 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 1.30 0.49 -1.38 1.61 4.01 -1.26 -4.52 117.16 117.41 2cqy n TYR 46 Ca 0.00 0.38 -0.32 0.00 -0.16 0.00 0.00 57.90 57.81 2cqy n TYR 46 Cb 0.00 -2.05 0.08 0.00 -0.31 0.00 0.00 39.34 37.06 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 -3.40 2.39 -0.07 -0.72 0.04 -1.26 -5.01 135.00 126.97 2cqy s PRO 47 Ca 0.72 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2cqy s PRO 47 Cb -0.33 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.32 2cqy s PRO 47 CO 0.52 -1.54 -0.05 0.14 0.04 0.00 0.00 177.00 176.11 2cqy s VAL 48 N -2.76 0.70 0.07 -0.36 -7.23 0.60 -2.66 120.40 108.77 2cqy s VAL 48 Ca 0.63 -0.14 -0.26 0.00 -1.81 0.00 0.00 61.98 60.39 2cqy s VAL 48 Cb -0.18 -0.75 -0.06 0.00 0.56 0.00 0.00 36.38 35.95 2cqy s VAL 48 CO 0.52 0.29 0.82 -0.32 -0.31 0.00 0.00 175.10 176.11 2cqy s MET 49 N 1.41 4.56 -0.20 4.82 1.75 -0.25 -0.92 119.30 130.48 2cqy s MET 49 Ca -0.02 1.19 -0.01 0.00 -1.25 0.00 0.00 55.69 55.60 2cqy s MET 49 Cb -0.13 -3.36 0.01 0.00 2.84 0.00 0.00 34.83 34.19 2cqy s MET 49 CO -0.03 0.29 -0.14 0.42 -0.65 0.00 0.00 175.02 174.90 2cqy s ILE 50 N -0.13 2.52 0.48 10.11 1.01 -0.75 -1.25 121.20 133.20 2cqy s ILE 50 Ca 0.41 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.26 2cqy s ILE 50 Cb -0.22 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 2cqy s ILE 50 CO 0.25 0.46 0.01 -0.54 0.00 0.00 0.00 174.94 175.12 2cqy s LYS 51 N 1.34 2.12 -0.30 2.79 3.01 -0.70 -3.04 119.74 124.96 2cqy s LYS 51 Ca 0.04 -2.31 -0.16 0.00 -1.01 0.00 0.00 55.97 52.54 2cqy s LYS 51 Cb -0.14 -1.57 -0.03 0.00 -1.01 0.00 0.00 37.83 35.09 2cqy s LYS 51 CO -0.09 -0.26 0.40 0.00 0.51 0.00 0.00 175.35 175.91 2cqy s ALA 52 N -2.82 3.54 0.46 5.17 0.00 -1.26 0.11 121.76 126.96 2cqy s ALA 52 Ca 0.15 -0.91 0.21 0.00 0.00 0.00 0.00 51.96 51.41 2cqy s ALA 52 Cb 0.04 -2.80 1.20 0.00 0.00 0.00 0.00 23.12 21.57 2cqy s ALA 52 CO 0.08 -0.84 1.91 1.03 0.00 0.00 0.00 175.76 177.94 2cqy h SER 53 N 8.27 0.25 -0.69 0.00 0.87 -0.22 0.62 113.55 122.64 2cqy h SER 53 Ca -0.30 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 2cqy h SER 53 Cb 1.15 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.05 2cqy h SER 53 CO 0.68 0.12 0.33 0.00 -0.53 0.00 0.00 176.83 177.43 2cqy h ALA 54 N 1.64 0.90 -0.12 6.23 0.00 -1.77 -3.40 119.26 122.73 2cqy h ALA 54 Ca 0.38 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 2cqy h ALA 54 Cb 1.11 -0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.49 2cqy h ALA 54 CO -0.09 0.46 -0.35 0.41 0.00 0.00 0.00 179.25 179.68 2cqy n GLY 55 N -0.96 -0.62 0.00 0.00 0.00 0.02 -5.05 105.19 98.57 2cqy n GLY 55 Ca 0.06 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 1.81 -1.63 2.42 -0.02 0.00 0.20 -4.66 105.19 103.30 2cqy n GLY 56 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 2.08 0.00 -0.02 0.00 -1.26 -4.80 105.19 101.20 2cqy n GLY 57 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.45 2.91 -0.02 0.00 -1.26 -5.08 105.19 102.20 2cqy n GLY 58 Ca 0.00 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 2cqy n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cqy n LYS 59 N 0.00 0.00 0.00 1.61 4.76 -1.26 -0.91 118.16 122.36 2cqy n LYS 59 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2cqy n LYS 59 Cb 0.00 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 2cqy n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2cqy n GLY 60 N 5.80 4.43 2.14 0.72 0.00 -1.26 -5.13 105.19 111.90 2cqy n GLY 60 Ca 0.53 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.29 -4.20 1.61 0.00 -0.09 -5.08 117.12 107.08 2cqy n MET 61 Ca 0.00 -1.07 -0.17 0.00 0.00 0.00 0.00 57.70 56.46 2cqy n MET 61 Cb 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 33.22 32.11 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 -4.52 0.90 0.08 3.17 3.52 -1.17 -5.06 118.95 115.87 2cqy s ARG 62 Ca 0.43 -1.11 0.07 0.00 -0.13 0.00 0.00 55.73 55.00 2cqy s ARG 62 Cb -0.04 -0.80 -0.04 0.00 -1.56 0.00 0.00 34.95 32.52 2cqy s ARG 62 CO 0.33 0.16 -0.14 0.42 -0.81 0.00 0.00 175.30 175.26 2cqy s ILE 63 N -1.85 3.12 0.16 4.11 1.01 -1.26 -1.81 121.20 124.68 2cqy s ILE 63 Ca 0.04 -1.26 0.11 0.00 0.00 0.00 0.00 60.65 59.54 2cqy s ILE 63 Cb -0.07 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 2cqy s ILE 63 CO 0.02 0.19 -0.23 0.00 0.00 0.00 0.00 174.94 174.93 2cqy s ALA 64 N -1.10 2.55 0.00 9.38 0.00 -0.09 -4.93 121.76 127.55 2cqy s ALA 64 Ca 0.18 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2cqy s ALA 64 Cb -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.58 2cqy s ALA 64 CO 0.10 0.49 0.00 0.91 0.00 0.00 0.00 175.76 177.26 2cqy n TRP 65 N 0.52 0.00 -3.96 0.00 7.02 -1.26 -0.29 117.44 119.47 2cqy n TRP 65 Ca -0.15 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.24 2cqy n TRP 65 Cb 0.55 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.38 2cqy n TRP 65 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 2cqy s ASP 66 N -1.50 -0.10 0.26 -0.99 1.47 -1.26 -4.70 116.67 109.85 2cqy s ASP 66 Ca 0.00 -0.86 -0.03 0.00 1.18 0.00 0.00 52.55 52.84 2cqy s ASP 66 Cb 0.00 0.56 0.52 0.00 -0.34 0.00 0.00 42.92 43.66 2cqy s ASP 66 CO 0.00 -1.09 1.68 -2.24 0.68 0.00 0.00 175.17 174.20 2cqy h ASP 67 N 2.29 0.03 -0.41 2.11 3.04 -1.98 0.36 116.42 121.86 2cqy h ASP 67 Ca -0.27 0.16 0.06 0.00 -3.24 0.00 0.00 57.03 53.73 2cqy h ASP 67 Cb 1.25 0.21 -0.05 0.00 -1.04 0.00 0.00 39.33 39.69 2cqy h ASP 67 CO 0.37 -0.05 0.12 1.05 -2.04 0.00 0.00 179.24 178.69 2cqy h GLU 68 N 0.27 0.26 -0.14 4.15 4.11 -2.00 -1.73 114.58 119.49 2cqy h GLU 68 Ca 0.45 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.73 2cqy h GLU 68 Cb 0.80 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2cqy h GLU 68 CO -0.54 0.17 -0.49 0.93 0.07 0.00 0.00 179.01 179.15 2cqy h GLU 69 N 0.26 0.37 0.37 1.06 5.08 -1.40 -2.61 114.58 117.72 2cqy h GLU 69 Ca 0.19 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2cqy h GLU 69 Cb 0.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2cqy h GLU 69 CO -0.22 0.78 -0.34 1.15 -1.00 0.00 0.00 179.01 179.38 2cqy h THR 70 N 0.29 0.30 0.46 1.13 2.02 0.46 0.25 112.91 117.83 2cqy h THR 70 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2cqy h THR 70 Cb 0.97 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2cqy h THR 70 CO 0.08 0.00 -0.22 0.03 0.37 0.00 0.00 175.52 175.78 2cqy h ARG 71 N -0.72 -0.59 -0.68 6.66 3.08 -1.40 0.33 114.38 121.06 2cqy h ARG 71 Ca -0.03 0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.20 2cqy h ARG 71 Cb 0.64 0.13 -0.10 0.00 0.08 0.00 0.00 29.97 30.73 2cqy h ARG 71 CO -0.04 -0.35 0.15 -0.44 -1.07 0.00 0.00 179.97 178.23 2cqy h ASP 72 N -0.71 0.01 0.82 7.04 5.19 -1.42 0.23 116.42 127.59 2cqy h ASP 72 Ca -0.06 0.13 -0.12 0.00 -0.62 0.00 0.00 57.03 56.36 2cqy h ASP 72 Cb 0.52 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 2cqy h ASP 72 CO 0.10 -0.01 -0.57 1.23 -3.12 0.00 0.00 179.24 176.87 2cqy h GLY 73 N 0.27 0.00 1.24 2.75 0.00 -0.35 -3.03 103.07 103.95 2cqy h GLY 73 Ca 0.37 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.50 2cqy h GLY 73 CO -0.46 0.00 -0.65 -2.75 0.00 0.00 0.00 176.54 172.68 2cqy h PHE 74 N 0.00 1.00 -0.35 5.60 3.04 0.18 -0.46 116.94 125.95 2cqy h PHE 74 Ca -0.01 -0.39 -0.03 0.00 3.98 0.00 0.00 57.97 61.52 2cqy h PHE 74 Cb 1.14 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 2cqy h PHE 74 CO 0.00 1.21 0.11 0.00 -2.02 0.00 0.00 178.31 177.61 2cqy h ARG 75 N 0.56 0.55 0.31 1.11 3.08 -0.64 -2.25 114.38 117.10 2cqy h ARG 75 Ca -0.02 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2cqy h ARG 75 Cb 1.26 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2cqy h ARG 75 CO 0.14 0.58 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.39 2cqy h LEU 76 N 0.42 -0.35 -1.48 3.04 3.38 -1.56 -3.05 115.31 115.71 2cqy h LEU 76 Ca 0.11 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2cqy h LEU 76 Cb 0.26 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2cqy h LEU 76 CO -0.00 0.12 0.53 0.28 0.09 0.00 0.00 178.44 179.46 2cqy h SER 77 N -0.98 0.00 0.06 -0.43 0.02 -1.14 0.19 113.55 111.27 2cqy h SER 77 Ca -0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2cqy h SER 77 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2cqy h SER 77 CO 0.07 0.00 -0.03 0.28 -1.14 0.00 0.00 176.83 176.01 2cqy h SER 78 N 0.00 -0.06 -0.07 3.07 0.02 -1.32 -3.00 113.55 112.19 2cqy h SER 78 Ca 0.03 -0.56 0.02 0.00 -0.84 0.00 0.00 61.79 60.44 2cqy h SER 78 Cb 1.09 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 2cqy h SER 78 CO -0.00 0.65 0.06 1.56 -1.14 0.00 0.00 176.83 177.96 2cqy h GLN 79 N -0.91 0.00 0.48 3.45 4.20 -0.88 -2.55 115.11 118.90 2cqy h GLN 79 Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2cqy h GLN 79 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2cqy h GLN 79 CO 0.01 0.00 -0.23 0.93 -0.67 0.00 0.00 178.83 178.87 2cqy h GLU 80 N 0.00 -0.62 -0.93 1.46 4.39 -1.45 -2.18 114.58 115.25 2cqy h GLU 80 Ca 0.04 0.04 0.24 0.00 0.34 0.00 0.00 59.36 60.01 2cqy h GLU 80 Cb 0.16 0.14 -0.13 0.00 -0.10 0.00 0.00 28.75 28.82 2cqy h GLU 80 CO -0.00 -0.41 0.45 0.00 -1.16 0.00 0.00 179.01 177.88 2cqy h ALA 81 N -1.38 1.56 -0.98 3.43 0.00 -1.36 0.32 119.26 120.85 2cqy h ALA 81 Ca -0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2cqy h ALA 81 Cb 0.50 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2cqy h ALA 81 CO 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.00 2cqy n ALA 82 N -2.45 -0.30 -0.35 0.00 0.00 -0.98 -0.53 120.51 115.91 2cqy n ALA 82 Ca 0.24 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.95 2cqy n ALA 82 Cb 0.71 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.72 2cqy n ALA 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2cqy h SER 83 N 0.00 0.36 0.00 0.00 0.87 -1.16 1.27 113.55 114.90 2cqy h SER 83 Ca 0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2cqy h SER 83 Cb 0.00 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2cqy h SER 83 CO 0.00 0.02 0.00 -1.20 -0.53 0.00 0.00 176.83 175.12 2cqy n SER 84 N -4.61 0.00 -0.12 6.23 7.64 0.11 -4.67 113.62 118.20 2cqy n SER 84 Ca 0.28 0.58 -0.23 0.00 1.01 0.00 0.00 58.87 60.50 2cqy n SER 84 Cb 1.03 -0.26 -0.11 0.00 -1.01 0.00 0.00 64.21 63.86 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 -1.27 0.15 0.00 1.43 3.01 0.31 -5.05 117.46 116.04 2cqy n PHE 85 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.51 2cqy n PHE 85 Cb 0.00 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 38.45 2cqy n PHE 85 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cqy n GLY 86 N 1.78 4.49 3.64 1.37 0.00 0.43 -4.97 105.19 111.93 2cqy n GLY 86 Ca -0.48 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 6.80 0.00 1.61 1.11 -1.25 -4.25 116.67 120.69 2cqy s ASP 87 Ca 0.00 1.30 0.16 0.00 0.18 0.00 0.00 52.55 54.18 2cqy s ASP 87 Cb 0.00 -2.54 0.94 0.00 1.07 0.00 0.00 42.92 42.39 2cqy s ASP 87 CO 0.00 -0.96 1.41 -0.90 1.18 0.00 0.00 175.17 175.91 2cqy n ASP 88 N 7.21 0.00 -4.66 0.27 5.75 -1.26 -3.68 116.55 120.19 2cqy n ASP 88 Ca 0.14 -0.91 -0.49 0.00 -0.01 0.00 0.00 54.79 53.52 2cqy n ASP 88 Cb 0.46 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.50 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 -0.85 1.81 -3.78 0.11 1.74 -1.26 -4.73 116.66 109.70 2cqy n ARG 89 Ca 0.12 0.66 -0.25 0.00 -0.77 0.00 0.00 57.85 57.61 2cqy n ARG 89 Cb 0.05 -2.40 -0.01 0.00 -1.02 0.00 0.00 32.46 29.08 2cqy n ARG 89 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cqy s LEU 90 N 1.82 2.84 0.08 0.55 1.43 -1.26 0.37 118.68 124.51 2cqy s LEU 90 Ca 0.85 -1.14 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 2cqy s LEU 90 Cb -0.79 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 2cqy s LEU 90 CO 0.46 -1.04 0.10 -0.76 0.23 0.00 0.00 176.35 175.34 2cqy s LEU 91 N -4.28 1.85 -0.05 1.79 1.43 0.30 -3.46 118.68 116.27 2cqy s LEU 91 Ca 0.39 -0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2cqy s LEU 91 Cb -0.02 0.68 0.04 0.00 0.03 0.00 0.00 46.19 46.91 2cqy s LEU 91 CO 0.24 -0.68 0.09 -0.63 0.23 0.00 0.00 176.35 175.60 2cqy s ILE 92 N -3.89 -0.10 0.05 -0.59 1.01 -1.26 -1.73 121.20 114.69 2cqy s ILE 92 Ca 0.07 0.26 0.02 0.00 0.00 0.00 0.00 60.65 61.00 2cqy s ILE 92 Cb 0.06 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.32 2cqy s ILE 92 CO -0.10 0.11 -0.07 -1.61 0.00 0.00 0.00 174.94 173.27 2cqy s GLU 93 N 1.49 0.57 0.24 2.79 2.02 -0.38 -3.67 118.70 121.77 2cqy s GLU 93 Ca -0.05 -0.89 -0.31 0.00 0.02 0.00 0.00 54.97 53.74 2cqy s GLU 93 Cb -0.12 -0.20 -0.11 0.00 0.10 0.00 0.00 34.13 33.80 2cqy s GLU 93 CO -0.04 0.01 1.55 0.21 0.02 0.00 0.00 175.26 177.01 2cqy s LYS 94 N -2.20 4.19 -0.32 1.61 2.47 -1.26 -1.09 119.74 123.14 2cqy s LYS 94 Ca -0.05 2.45 -0.07 0.00 -1.56 0.00 0.00 55.97 56.74 2cqy s LYS 94 Cb -0.06 -3.09 0.03 0.00 -1.46 0.00 0.00 37.83 33.26 2cqy s LYS 94 CO -0.01 -0.57 0.10 0.12 0.16 0.00 0.00 175.35 175.14 2cqy s PHE 95 N 0.38 3.21 -0.27 4.03 5.36 -1.09 -4.74 117.98 124.87 2cqy s PHE 95 Ca 0.65 -1.22 0.02 0.00 -0.96 0.00 0.00 56.93 55.42 2cqy s PHE 95 Cb -0.45 -2.28 0.07 0.00 -0.34 0.00 0.00 43.02 40.02 2cqy s PHE 95 CO 0.41 -0.67 -0.06 0.42 -1.46 0.00 0.00 175.22 173.87 2cqy s ILE 96 N 1.45 1.94 -0.14 3.12 1.01 -1.26 -4.33 121.20 122.98 2cqy s ILE 96 Ca 0.00 -1.62 0.14 0.00 0.00 0.00 0.00 60.65 59.17 2cqy s ILE 96 Cb -0.19 -2.18 -0.24 0.00 0.01 0.00 0.00 42.46 39.87 2cqy s ILE 96 CO 0.03 -0.18 0.29 -0.67 0.00 0.00 0.00 174.94 174.41 2cqy n ASP 97 N 4.49 0.52 -4.85 3.58 -0.08 -1.26 -4.92 116.55 114.03 2cqy n ASP 97 Ca -0.10 0.16 -0.38 0.00 -1.51 0.00 0.00 54.79 52.96 2cqy n ASP 97 Cb 0.43 0.45 -0.06 0.00 2.34 0.00 0.00 41.12 44.28 2cqy n ASP 97 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2cqy s ASN 98 N -5.83 6.67 0.00 1.67 3.84 -1.26 -4.97 114.94 115.06 2cqy s ASN 98 Ca -0.10 0.80 0.15 0.00 0.21 0.00 0.00 52.86 53.92 2cqy s ASN 98 Cb 0.07 -2.19 0.85 0.00 -0.55 0.00 0.00 41.25 39.43 2cqy s ASN 98 CO 0.81 0.35 1.38 -0.81 -2.79 0.00 0.00 177.10 176.04 2cqy n PRO 99 N 1.86 0.36 -3.60 0.43 -0.04 -1.26 -4.43 135.00 128.31 2cqy n PRO 99 Ca -0.16 0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 62.97 2cqy n PRO 99 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.27 2.47 0.26 0.54 6.06 -1.26 -5.06 118.95 119.68 2cqy s ARG 100 Ca 0.19 -1.66 -0.27 0.00 -2.50 0.00 0.00 55.73 51.50 2cqy s ARG 100 Cb 0.10 -3.82 -0.16 0.00 0.06 0.00 0.00 34.95 31.13 2cqy s ARG 100 CO 0.20 -1.09 0.55 0.72 -2.50 0.00 0.00 175.30 173.18 2cqy n HIS 101 N 4.87 -0.40 -0.08 5.12 8.25 -1.26 -4.92 115.22 126.79 2cqy n HIS 101 Ca -0.08 0.85 -0.14 0.00 -0.26 0.00 0.00 57.72 58.09 2cqy n HIS 101 Cb 0.42 -1.99 -0.08 0.00 1.12 0.00 0.00 29.99 29.45 2cqy n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2cqy h ILE 102 N 1.06 0.77 0.00 1.59 5.03 -1.97 -3.46 117.51 120.54 2cqy h ILE 102 Ca -0.32 -1.82 -0.62 0.00 -0.12 0.00 0.00 64.86 61.98 2cqy h ILE 102 Cb 1.42 1.70 -0.05 0.00 -3.03 0.00 0.00 36.82 36.86 2cqy h ILE 102 CO 0.56 0.26 1.33 -1.20 -0.68 0.00 0.00 178.15 178.42 2cqy n SER 103 N -4.54 0.54 -3.18 1.72 7.64 -1.26 -4.84 113.62 109.69 2cqy n SER 103 Ca -0.19 0.47 -0.16 0.00 1.01 0.00 0.00 58.87 59.99 2cqy n SER 103 Cb 0.48 -0.82 -0.06 0.00 -1.01 0.00 0.00 64.21 62.80 2cqy n SER 103 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cqy s GLY 104 N 6.34 0.02 0.97 0.23 0.00 -1.26 -5.15 107.32 108.46 2cqy s GLY 104 Ca 1.14 -1.33 -0.12 0.00 0.00 0.00 0.00 44.72 44.40 2cqy s GLY 104 CO 0.55 2.82 1.09 2.56 0.00 0.00 0.00 173.10 180.12 2cqy s PRO 105 N 0.75 0.68 -0.20 2.90 0.04 -1.26 -5.08 135.00 132.83 2cqy s PRO 105 Ca 0.27 0.62 -0.07 0.00 0.04 0.00 0.00 61.00 61.86 2cqy s PRO 105 Cb -0.03 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 32.84 2cqy s PRO 105 CO -0.10 -2.59 0.42 -1.54 0.04 0.00 0.00 177.00 173.23 2cqy s SER 106 N -3.44 -0.26 -0.15 6.66 1.04 -1.26 -5.15 113.70 111.14 2cqy s SER 106 Ca 0.65 0.99 -0.04 0.00 0.48 0.00 0.00 55.95 58.02 2cqy s SER 106 Cb -0.18 1.33 -0.03 0.00 0.10 0.00 0.00 66.02 67.23 2cqy s SER 106 CO 0.57 -0.23 0.00 -0.55 0.98 0.00 0.00 173.24 174.02 2cqy s SER 107 N 2.57 5.16 0.00 7.02 0.15 -1.26 -5.38 113.70 121.96 2cqy s SER 107 Ca -0.02 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2cqy s SER 107 Cb -0.12 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 2cqy s SER 107 CO -0.13 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.15