#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 4.14 -0.02 1.61 0.01 -1.26 -5.09 113.70 113.09 2cqy s SER 2 Ca 0.00 -1.34 -0.06 0.00 1.31 0.00 0.00 55.95 55.86 2cqy s SER 2 Cb 0.00 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 2cqy s SER 2 CO 0.00 -0.61 -0.12 -0.24 0.41 0.00 0.00 173.24 172.69 2cqy n SER 3 N -1.16 1.18 -0.82 2.44 2.88 -1.26 -5.14 113.62 111.74 2cqy n SER 3 Ca -0.07 0.18 0.11 0.00 -1.33 0.00 0.00 58.87 57.76 2cqy n SER 3 Cb 0.66 -0.41 -0.04 0.00 -0.75 0.00 0.00 64.21 63.67 2cqy n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqy n GLY 4 N 2.72 -2.30 3.69 0.46 0.00 -1.26 -5.07 105.19 103.42 2cqy n GLY 4 Ca -0.08 -1.28 -0.04 0.00 0.00 0.00 0.00 46.02 44.62 2cqy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqy s SER 5 N -6.18 -0.19 -0.20 1.61 0.01 -1.26 -5.19 113.70 102.30 2cqy s SER 5 Ca 0.00 -0.29 -0.30 0.00 1.31 0.00 0.00 55.95 56.67 2cqy s SER 5 Cb 0.00 0.42 0.15 0.00 0.21 0.00 0.00 66.02 66.80 2cqy s SER 5 CO 0.00 -0.76 1.12 -0.55 0.41 0.00 0.00 173.24 173.47 2cqy s SER 6 N -2.85 -0.25 0.68 2.44 0.15 -1.26 -5.18 113.70 107.43 2cqy s SER 6 Ca 0.11 0.25 0.02 0.00 0.70 0.00 0.00 55.95 57.03 2cqy s SER 6 Cb -0.00 0.21 0.12 0.00 -1.71 0.00 0.00 66.02 64.63 2cqy s SER 6 CO -0.01 -0.24 0.94 -0.83 1.20 0.00 0.00 173.24 174.30 2cqy s GLY 7 N -1.17 1.75 -0.18 9.45 0.00 -1.26 -5.13 107.32 110.78 2cqy s GLY 7 Ca 0.02 -1.86 -0.21 0.00 0.00 0.00 0.00 44.72 42.68 2cqy s GLY 7 CO -0.02 -1.31 0.56 -0.35 0.00 0.00 0.00 173.10 171.98 2cqy s ASP 8 N -4.72 -0.57 -0.10 1.64 2.15 -1.26 -5.16 116.67 108.64 2cqy s ASP 8 Ca 0.65 1.04 0.01 0.00 0.43 0.00 0.00 52.55 54.68 2cqy s ASP 8 Cb -0.05 1.05 -0.02 0.00 -0.30 0.00 0.00 42.92 43.59 2cqy s ASP 8 CO 0.43 -0.25 -0.13 -0.54 -0.17 0.00 0.00 175.17 174.51 2cqy s LYS 9 N 0.05 3.04 -0.03 4.34 -0.14 -1.26 -5.12 119.74 120.63 2cqy s LYS 9 Ca -0.02 -0.68 0.02 0.00 -1.36 0.00 0.00 55.97 53.93 2cqy s LYS 9 Cb -0.04 -2.54 0.01 0.00 -1.68 0.00 0.00 37.83 33.58 2cqy s LYS 9 CO 0.02 0.38 -0.06 -1.50 -0.76 0.00 0.00 175.35 173.43 2cqy s ILE 10 N -0.09 0.61 0.04 2.17 1.10 -1.26 -5.15 121.20 118.61 2cqy s ILE 10 Ca -0.02 -0.23 -0.08 0.00 -0.51 0.00 0.00 60.65 59.81 2cqy s ILE 10 Cb -0.14 -0.58 -0.00 0.00 0.15 0.00 0.00 42.46 41.90 2cqy s ILE 10 CO 0.04 0.21 0.16 -1.61 -2.11 0.00 0.00 174.94 171.63 2cqy s GLU 11 N 0.45 0.66 -0.30 3.50 0.41 -1.26 -5.16 118.70 117.00 2cqy s GLU 11 Ca -0.06 -0.68 -0.16 0.00 -0.41 0.00 0.00 54.97 53.66 2cqy s GLU 11 Cb -0.10 0.27 0.17 0.00 -1.78 0.00 0.00 34.13 32.69 2cqy s GLU 11 CO 0.00 -0.18 1.06 0.45 -0.49 0.00 0.00 175.26 176.10 2cqy s SER 12 N -2.10 -0.44 -0.19 -0.19 0.15 -1.26 -5.15 113.70 104.51 2cqy s SER 12 Ca -0.05 0.62 -0.04 0.00 0.70 0.00 0.00 55.95 57.18 2cqy s SER 12 Cb -0.01 1.46 -0.02 0.00 -1.71 0.00 0.00 66.02 65.74 2cqy s SER 12 CO -0.04 -0.09 -0.02 -0.54 1.20 0.00 0.00 173.24 173.75 2cqy s LYS 13 N 2.19 3.60 -0.10 5.44 -0.14 -1.26 -4.97 119.74 124.50 2cqy s LYS 13 Ca -0.03 -0.53 0.15 0.00 -1.36 0.00 0.00 55.97 54.20 2cqy s LYS 13 Cb -0.05 -3.01 0.23 0.00 -1.68 0.00 0.00 37.83 33.32 2cqy s LYS 13 CO -0.17 0.06 1.11 1.47 -0.76 0.00 0.00 175.35 177.07 2cqy n LEU 14 N 4.07 2.07 -4.57 3.17 -0.00 -1.26 -4.97 117.00 115.52 2cqy n LEU 14 Ca -0.17 -2.74 -0.24 0.00 -0.00 0.00 0.00 56.01 52.86 2cqy n LEU 14 Cb 0.52 -0.34 -0.06 0.00 -0.00 0.00 0.00 43.42 43.54 2cqy n LEU 14 CO 0.32 0.64 1.35 -0.76 -0.00 0.00 0.00 177.39 178.93 2cqy s LEU 15 N -2.37 3.01 -0.29 1.47 1.43 -1.26 -4.80 118.68 115.86 2cqy s LEU 15 Ca 0.25 -0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 2cqy s LEU 15 Cb 0.22 -2.57 0.14 0.00 0.03 0.00 0.00 46.19 44.01 2cqy s LEU 15 CO 0.02 -3.19 0.85 0.00 0.23 0.00 0.00 176.35 174.26 2cqy s ALA 16 N 11.68 -2.30 0.06 4.21 0.00 -1.26 -5.18 121.76 128.98 2cqy s ALA 16 Ca 0.74 2.23 -0.00 0.00 0.00 0.00 0.00 51.96 54.92 2cqy s ALA 16 Cb -0.06 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2cqy s ALA 16 CO 0.06 -0.70 -0.04 0.15 0.00 0.00 0.00 175.76 175.24 2cqy s LYS 17 N 2.15 0.68 -0.79 0.00 1.02 -1.26 -5.11 119.74 116.42 2cqy s LYS 17 Ca -0.06 -1.26 0.01 0.00 0.02 0.00 0.00 55.97 54.68 2cqy s LYS 17 Cb -0.07 0.10 0.19 0.00 -0.52 0.00 0.00 37.83 37.53 2cqy s LYS 17 CO -0.18 -0.09 0.64 0.15 -0.92 0.00 0.00 175.35 174.95 2cqy s LYS 18 N -3.90 2.90 -0.11 1.68 1.02 -1.26 -5.03 119.74 115.04 2cqy s LYS 18 Ca 0.09 -3.21 -0.09 0.00 0.02 0.00 0.00 55.97 52.77 2cqy s LYS 18 Cb 0.07 -3.74 0.03 0.00 -0.52 0.00 0.00 37.83 33.67 2cqy s LYS 18 CO -0.08 -1.26 0.28 0.00 -0.92 0.00 0.00 175.35 173.37 2cqy s ALA 19 N -1.23 -0.69 -0.04 5.17 0.00 -1.26 -5.17 121.76 118.54 2cqy s ALA 19 Ca 0.25 0.82 -0.21 0.00 0.00 0.00 0.00 51.96 52.82 2cqy s ALA 19 Cb -0.08 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.60 2cqy s ALA 19 CO -0.12 -0.14 0.47 -2.00 0.00 0.00 0.00 175.76 173.96 2cqy s GLU 20 N 0.26 0.81 0.26 0.00 2.12 -1.26 -5.17 118.70 115.72 2cqy s GLU 20 Ca -0.01 0.07 -0.06 0.00 0.36 0.00 0.00 54.97 55.33 2cqy s GLU 20 Cb -0.03 0.37 -0.06 0.00 0.26 0.00 0.00 34.13 34.68 2cqy s GLU 20 CO -0.01 -0.23 0.52 0.54 -0.54 0.00 0.00 175.26 175.55 2cqy s VAL 21 N -1.12 5.03 -0.43 3.70 0.11 -1.26 -5.00 120.40 121.44 2cqy s VAL 21 Ca -0.11 0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.09 2cqy s VAL 21 Cb -0.03 -3.70 0.58 0.00 -1.53 0.00 0.00 36.38 31.70 2cqy s VAL 21 CO 0.06 -0.23 1.77 0.59 -3.33 0.00 0.00 175.10 173.96 2cqy n ASN 22 N -0.66 3.96 -4.03 3.54 4.13 -1.26 -4.98 115.26 115.95 2cqy n ASN 22 Ca -0.02 -3.70 -0.15 0.00 1.68 0.00 0.00 54.58 52.40 2cqy n ASN 22 Cb 0.53 -0.78 0.06 0.00 -1.54 0.00 0.00 39.78 38.06 2cqy n ASN 22 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2cqy n THR 23 N -1.09 0.00 -2.48 3.41 -2.24 -1.26 -5.06 114.28 105.56 2cqy n THR 23 Ca 0.52 -1.32 -0.42 0.00 -2.27 0.00 0.00 64.05 60.56 2cqy n THR 23 Cb 1.31 -0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 2cqy n THR 23 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2cqy s ILE 24 N -1.77 4.25 -2.00 2.28 1.01 -1.26 -4.90 121.20 118.80 2cqy s ILE 24 Ca 0.45 1.60 0.12 0.00 0.00 0.00 0.00 60.65 62.82 2cqy s ILE 24 Cb -0.03 -4.03 0.34 0.00 0.01 0.00 0.00 42.46 38.75 2cqy s ILE 24 CO 0.29 0.08 1.15 -0.81 0.00 0.00 0.00 174.94 175.65 2cqy n PRO 25 N 4.33 0.49 0.00 2.79 -0.04 -1.26 -4.71 135.00 136.60 2cqy n PRO 25 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2cqy n PRO 25 Cb 0.47 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.02 2.63 3.53 0.55 0.00 -1.26 -4.67 105.19 105.95 2cqy n GLY 26 Ca 0.09 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 2.92 -2.12 1.61 5.36 -1.21 -4.88 117.98 119.67 2cqy s PHE 27 Ca 0.00 0.10 0.19 0.00 -0.96 0.00 0.00 56.93 56.26 2cqy s PHE 27 Cb 0.00 -3.83 0.52 0.00 -0.34 0.00 0.00 43.02 39.37 2cqy s PHE 27 CO 0.00 -1.12 1.44 -0.40 -1.46 0.00 0.00 175.22 173.67 2cqy n ASP 28 N 6.99 2.99 -3.27 6.13 5.68 -1.26 -4.03 116.55 129.77 2cqy n ASP 28 Ca 0.02 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 2cqy n ASP 28 Cb 0.48 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2cqy n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cqy n GLY 29 N 1.40 -1.02 3.04 6.12 0.00 -1.26 -5.04 105.19 108.45 2cqy n GLY 29 Ca 0.19 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 2cqy n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cqy s VAL 30 N 0.00 -0.03 0.43 1.61 1.01 -1.26 -4.79 120.40 117.36 2cqy s VAL 30 Ca 0.00 0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 2cqy s VAL 30 Cb 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 36.38 35.94 2cqy s VAL 30 CO 0.00 0.05 0.92 -0.69 0.00 0.00 0.00 175.10 175.38 2cqy s VAL 31 N 0.94 4.47 -0.15 2.92 1.01 -1.23 -5.00 120.40 123.36 2cqy s VAL 31 Ca -0.07 1.33 -0.05 0.00 0.00 0.00 0.00 61.98 63.20 2cqy s VAL 31 Cb -0.08 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 2cqy s VAL 31 CO -0.06 -0.37 -0.17 0.29 0.00 0.00 0.00 175.10 174.79 2cqy n LYS 32 N -0.79 0.33 -4.13 2.72 4.76 -1.26 -4.46 118.16 115.33 2cqy n LYS 32 Ca 0.06 0.12 -0.09 0.00 -2.87 0.00 0.00 58.31 55.54 2cqy n LYS 32 Cb 0.54 -1.12 -0.10 0.00 -1.84 0.00 0.00 35.03 32.51 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 -6.01 0.68 0.21 4.39 1.47 -1.26 -5.03 116.67 111.12 2cqy s ASP 33 Ca -0.20 -1.04 -0.13 0.00 1.18 0.00 0.00 52.55 52.36 2cqy s ASP 33 Cb 0.07 0.18 0.25 0.00 -0.34 0.00 0.00 42.92 43.08 2cqy s ASP 33 CO 0.28 -0.58 1.64 0.00 0.68 0.00 0.00 175.17 177.19 2cqy h ALA 34 N 3.03 0.47 -0.73 2.11 0.00 -1.94 0.77 119.26 122.97 2cqy h ALA 34 Ca -0.35 0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.90 2cqy h ALA 34 Cb 1.16 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 19.31 2cqy h ALA 34 CO 0.64 -0.42 0.35 0.93 0.00 0.00 0.00 179.25 180.76 2cqy h GLU 35 N 0.03 0.57 -0.76 0.00 5.08 -1.97 -0.93 114.58 116.60 2cqy h GLU 35 Ca 0.31 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 2cqy h GLU 35 Cb 0.48 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2cqy h GLU 35 CO -0.61 0.37 0.28 1.49 -1.00 0.00 0.00 179.01 179.54 2cqy h GLU 36 N 0.58 1.14 -0.74 2.33 4.57 -1.31 -2.52 114.58 118.63 2cqy h GLU 36 Ca 0.37 -0.21 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 2cqy h GLU 36 Cb 0.43 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 2cqy h GLU 36 CO -0.30 0.93 0.48 0.00 -1.18 0.00 0.00 179.01 178.95 2cqy h ALA 37 N 1.20 1.46 0.07 2.92 0.00 0.15 -2.24 119.26 122.82 2cqy h ALA 37 Ca 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2cqy h ALA 37 Cb 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2cqy h ALA 37 CO -0.02 0.50 -0.04 0.28 0.00 0.00 0.00 179.25 179.97 2cqy h VAL 38 N 1.00 1.06 0.19 0.00 2.07 -0.96 -1.05 116.25 118.56 2cqy h VAL 38 Ca 0.27 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2cqy h VAL 38 Cb -0.10 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2cqy h VAL 38 CO -0.06 0.12 -0.35 0.03 0.02 0.00 0.00 177.57 177.33 2cqy h ARG 39 N -0.31 -0.59 -0.61 1.57 3.08 -1.25 0.83 114.38 117.09 2cqy h ARG 39 Ca -0.01 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.16 2cqy h ARG 39 Cb 0.27 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 2cqy h ARG 39 CO 0.02 -0.40 0.28 0.82 -1.07 0.00 0.00 179.97 179.62 2cqy h ILE 40 N -0.62 0.86 -0.01 2.04 2.04 -1.43 -2.24 117.51 118.14 2cqy h ILE 40 Ca 0.01 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.71 2cqy h ILE 40 Cb 0.62 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2cqy h ILE 40 CO -0.16 0.09 -0.05 0.00 0.00 0.00 0.00 178.15 178.03 2cqy h ALA 41 N 1.38 -0.04 -0.94 1.87 0.00 -0.71 -1.84 119.26 118.98 2cqy h ALA 41 Ca 0.29 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.39 2cqy h ALA 41 Cb 0.29 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 2cqy h ALA 41 CO -0.25 -0.54 0.60 0.00 0.00 0.00 0.00 179.25 179.07 2cqy h ARG 42 N -0.08 0.61 -0.21 0.00 3.08 -0.35 0.17 114.38 117.60 2cqy h ARG 42 Ca 0.02 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 2cqy h ARG 42 Cb 0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2cqy h ARG 42 CO -0.05 0.40 -0.44 0.93 -1.07 0.00 0.00 179.97 179.74 2cqy h GLU 43 N 0.63 0.51 0.00 0.04 5.08 -0.84 -2.97 114.58 117.02 2cqy h GLU 43 Ca 0.50 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 2cqy h GLU 43 Cb 0.94 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2cqy h GLU 43 CO -0.25 0.85 -0.64 0.82 -1.00 0.00 0.00 179.01 178.79 2cqy h ILE 44 N 0.41 1.36 -1.06 3.13 2.04 0.01 -3.45 117.51 119.95 2cqy h ILE 44 Ca 0.03 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.63 2cqy h ILE 44 Cb 0.93 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 2cqy h ILE 44 CO 0.08 0.63 0.00 0.61 0.00 0.00 0.00 178.15 179.47 2cqy n GLY 45 N 0.51 -1.03 3.73 5.37 0.00 0.12 -4.92 105.19 108.97 2cqy n GLY 45 Ca -0.01 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 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 2.09 0.81 1.61 2.02 -1.26 -4.46 117.35 118.15 2cqy s TYR 46 Ca 0.00 1.59 -0.11 0.00 -0.37 0.00 0.00 57.07 58.18 2cqy s TYR 46 Cb 0.00 -3.47 0.08 0.00 -0.40 0.00 0.00 41.96 38.17 2cqy s TYR 46 CO 0.00 -2.57 1.09 -1.25 -1.57 0.00 0.00 175.55 171.25 2cqy s PRO 47 N -3.87 1.96 -0.05 -1.71 0.04 -1.26 -5.03 135.00 125.09 2cqy s PRO 47 Ca 0.75 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.86 2cqy s PRO 47 Cb -0.29 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.40 2cqy s PRO 47 CO 0.44 -1.82 -0.03 0.14 0.04 0.00 0.00 177.00 175.77 2cqy s VAL 48 N -2.91 0.50 -0.06 -0.36 -7.23 0.11 -2.73 120.40 107.71 2cqy s VAL 48 Ca 0.62 -0.07 -0.22 0.00 -1.81 0.00 0.00 61.98 60.50 2cqy s VAL 48 Cb -0.17 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 2cqy s VAL 48 CO 0.56 0.23 0.66 -0.32 -0.31 0.00 0.00 175.10 175.92 2cqy s MET 49 N 1.14 4.42 -0.08 4.82 1.75 0.65 -1.24 119.30 130.76 2cqy s MET 49 Ca -0.08 0.81 0.02 0.00 -1.25 0.00 0.00 55.69 55.20 2cqy s MET 49 Cb -0.14 -3.43 -0.02 0.00 2.84 0.00 0.00 34.83 34.08 2cqy s MET 49 CO -0.01 0.12 -0.13 0.42 -0.65 0.00 0.00 175.02 174.77 2cqy s ILE 50 N 0.64 3.18 0.07 10.11 1.01 -0.40 -0.26 121.20 135.54 2cqy s ILE 50 Ca 0.35 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.35 2cqy s ILE 50 Cb -0.18 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2cqy s ILE 50 CO 0.17 0.57 -0.05 -0.54 0.00 0.00 0.00 174.94 175.09 2cqy s LYS 51 N -0.39 0.68 -0.56 2.79 1.02 -0.62 -2.87 119.74 119.78 2cqy s LYS 51 Ca 0.05 -1.20 -0.28 0.00 0.02 0.00 0.00 55.97 54.56 2cqy s LYS 51 Cb -0.12 -0.00 0.03 0.00 -0.52 0.00 0.00 37.83 37.22 2cqy s LYS 51 CO 0.02 -0.06 1.15 0.00 -0.92 0.00 0.00 175.35 175.55 2cqy s ALA 52 N -3.47 3.04 0.31 5.17 0.00 -1.26 0.21 121.76 125.76 2cqy s ALA 52 Ca 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.24 2cqy s ALA 52 Cb 0.04 -3.98 0.84 0.00 0.00 0.00 0.00 23.12 20.02 2cqy s ALA 52 CO -0.07 -2.57 1.59 1.03 0.00 0.00 0.00 175.76 175.74 2cqy h SER 53 N 9.47 -0.24 -0.99 0.00 0.87 0.13 1.32 113.55 124.11 2cqy h SER 53 Ca -0.25 0.26 0.31 0.00 -1.23 0.00 0.00 61.79 60.88 2cqy h SER 53 Cb 1.06 0.40 -0.15 0.00 -0.44 0.00 0.00 62.40 63.27 2cqy h SER 53 CO 1.17 -0.32 0.52 0.00 -0.53 0.00 0.00 176.83 177.66 2cqy h ALA 54 N 1.94 1.85 0.00 6.23 0.00 -1.87 -3.32 119.26 124.09 2cqy h ALA 54 Ca 0.63 0.20 -0.19 0.00 0.00 0.00 0.00 54.91 55.55 2cqy h ALA 54 Cb 1.36 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 19.20 2cqy h ALA 54 CO -0.83 -0.56 -0.23 0.41 0.00 0.00 0.00 179.25 178.03 2cqy n GLY 55 N -1.30 -0.15 0.00 0.00 0.00 0.24 -5.05 105.19 98.92 2cqy n GLY 55 Ca 0.30 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 0.33 -2.31 1.35 -0.02 0.00 0.39 -4.75 105.19 100.18 2cqy n GLY 56 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 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 1.12 0.64 3.31 -0.02 0.00 -1.26 -3.73 105.19 105.25 2cqy n GLY 57 Ca 0.00 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.79 -0.48 3.25 -0.02 0.00 -1.26 -4.82 105.19 101.06 2cqy n GLY 58 Ca -0.01 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.50 3.26 -2.56 1.61 4.76 -1.24 -4.43 118.16 116.06 2cqy n LYS 59 Ca -0.01 -3.36 -0.17 0.00 -2.87 0.00 0.00 58.31 51.91 2cqy n LYS 59 Cb 0.53 -3.22 -0.00 0.00 -1.84 0.00 0.00 35.03 30.50 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 4.27 -0.50 2.17 0.72 0.00 -1.26 -4.95 105.19 105.64 2cqy n GLY 60 Ca 0.44 0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.05 -2.42 -4.31 1.61 0.00 -1.26 -5.07 117.12 102.61 2cqy n MET 61 Ca -0.16 -1.08 -0.26 0.00 0.00 0.00 0.00 57.70 56.19 2cqy n MET 61 Cb 0.63 -1.03 -0.09 0.00 0.00 0.00 0.00 33.22 32.73 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 -4.54 2.00 0.03 3.17 3.52 -1.14 -5.03 118.95 116.97 2cqy s ARG 62 Ca 0.44 -1.33 0.07 0.00 -0.13 0.00 0.00 55.73 54.79 2cqy s ARG 62 Cb -0.04 -2.11 -0.02 0.00 -1.56 0.00 0.00 34.95 31.21 2cqy s ARG 62 CO 0.34 0.42 -0.21 0.42 -0.81 0.00 0.00 175.30 175.46 2cqy s ILE 63 N -1.77 1.67 -0.03 4.11 1.01 -1.26 -1.27 121.20 123.66 2cqy s ILE 63 Ca 0.25 -1.15 0.07 0.00 0.00 0.00 0.00 60.65 59.82 2cqy s ILE 63 Cb -0.08 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 2cqy s ILE 63 CO 0.15 0.25 -0.23 0.00 0.00 0.00 0.00 174.94 175.11 2cqy s ALA 64 N -0.75 2.27 -0.11 9.38 0.00 -0.37 -4.94 121.76 127.24 2cqy s ALA 64 Ca 0.08 -1.09 0.10 0.00 0.00 0.00 0.00 51.96 51.05 2cqy s ALA 64 Cb -0.09 -0.64 -0.15 0.00 0.00 0.00 0.00 23.12 22.24 2cqy s ALA 64 CO 0.01 0.54 0.27 0.91 0.00 0.00 0.00 175.76 177.49 2cqy n TRP 65 N 2.40 0.00 -3.93 0.00 7.02 -1.26 -0.71 117.44 120.96 2cqy n TRP 65 Ca -0.16 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.23 2cqy n TRP 65 Cb 0.51 -0.19 -0.08 0.00 -2.42 0.00 0.00 31.31 29.13 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 -2.92 0.22 0.30 -0.99 1.01 -1.26 -4.72 116.67 108.30 2cqy s ASP 66 Ca -0.02 -0.70 0.02 0.00 0.71 0.00 0.00 52.55 52.56 2cqy s ASP 66 Cb 0.07 0.28 0.74 0.00 1.01 0.00 0.00 42.92 45.02 2cqy s ASP 66 CO 0.42 -0.65 1.61 0.44 0.21 0.00 0.00 175.17 177.21 2cqy h ASP 67 N 3.04 -0.19 -0.69 0.27 5.19 -1.96 0.59 116.42 122.67 2cqy h ASP 67 Ca -0.34 0.23 0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2cqy h ASP 67 Cb 1.18 0.36 -0.05 0.00 0.18 0.00 0.00 39.33 41.00 2cqy h ASP 67 CO 0.57 -0.25 0.40 1.05 -3.12 0.00 0.00 179.24 177.89 2cqy h GLU 68 N 0.11 0.73 -0.25 3.56 4.11 -2.00 -1.67 114.58 119.16 2cqy h GLU 68 Ca 0.58 -0.04 -0.11 0.00 0.07 0.00 0.00 59.36 59.85 2cqy h GLU 68 Cb 1.20 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2cqy h GLU 68 CO -0.76 0.48 -0.32 0.93 0.07 0.00 0.00 179.01 179.41 2cqy h GLU 69 N 0.75 0.53 -0.14 1.06 5.08 -0.32 -2.09 114.58 119.44 2cqy h GLU 69 Ca 0.30 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2cqy h GLU 69 Cb 0.14 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2cqy h GLU 69 CO -0.16 0.78 0.09 1.15 -1.00 0.00 0.00 179.01 179.87 2cqy h THR 70 N 0.45 1.05 -0.40 1.13 2.02 -0.10 0.64 112.91 117.71 2cqy h THR 70 Ca 0.05 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 2cqy h THR 70 Cb 0.78 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2cqy h THR 70 CO 0.06 0.05 -0.04 0.03 0.37 0.00 0.00 175.52 175.99 2cqy h ARG 71 N 0.18 0.73 -0.12 6.66 3.08 -1.31 0.40 114.38 123.99 2cqy h ARG 71 Ca 0.05 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 59.75 2cqy h ARG 71 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2cqy h ARG 71 CO -0.01 0.84 -0.37 -0.44 -1.07 0.00 0.00 179.97 178.92 2cqy h ASP 72 N 0.55 0.27 0.66 7.04 5.19 -1.20 -2.57 116.42 126.36 2cqy h ASP 72 Ca 0.11 -0.11 -0.27 0.00 -0.62 0.00 0.00 57.03 56.14 2cqy h ASP 72 Cb 0.54 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 2cqy h ASP 72 CO 0.03 0.63 -1.34 1.23 -3.12 0.00 0.00 179.24 176.67 2cqy h GLY 73 N 1.15 0.16 1.38 2.75 0.00 0.47 -3.24 103.07 105.75 2cqy h GLY 73 Ca 0.02 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2cqy h GLY 73 CO 0.06 0.37 -0.12 -2.75 0.00 0.00 0.00 176.54 174.09 2cqy h PHE 74 N 0.04 0.80 0.00 5.60 3.04 -0.11 -1.73 116.94 124.58 2cqy h PHE 74 Ca -0.16 -0.15 -0.00 0.00 3.98 0.00 0.00 57.97 61.65 2cqy h PHE 74 Cb 1.93 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 40.24 2cqy h PHE 74 CO 0.04 0.82 -0.00 0.00 -2.02 0.00 0.00 178.31 177.14 2cqy h ARG 75 N 0.66 -0.00 0.45 1.11 3.08 -1.56 -1.96 114.38 116.16 2cqy h ARG 75 Ca 0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2cqy h ARG 75 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2cqy h ARG 75 CO 0.04 0.27 -0.22 -0.07 -1.07 0.00 0.00 179.97 178.92 2cqy h LEU 76 N -0.27 -0.51 -1.76 3.04 3.38 -1.57 -1.39 115.31 116.23 2cqy h LEU 76 Ca -0.00 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.26 2cqy h LEU 76 Cb 0.27 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2cqy h LEU 76 CO 0.00 -0.35 0.85 0.28 0.09 0.00 0.00 178.44 179.31 2cqy h SER 77 N -0.65 0.00 0.36 -0.43 0.02 -1.42 -0.82 113.55 110.62 2cqy h SER 77 Ca -0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2cqy h SER 77 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2cqy h SER 77 CO 0.10 0.00 -0.18 0.28 -1.14 0.00 0.00 176.83 175.90 2cqy h SER 78 N 0.00 -0.41 -1.02 3.07 0.02 -1.01 -3.03 113.55 111.17 2cqy h SER 78 Ca 0.45 0.01 0.28 0.00 -0.84 0.00 0.00 61.79 61.70 2cqy h SER 78 Cb 2.15 0.11 -0.13 0.00 0.14 0.00 0.00 62.40 64.67 2cqy h SER 78 CO -0.00 0.02 0.61 1.56 -1.14 0.00 0.00 176.83 177.88 2cqy h GLN 79 N -1.13 0.45 0.02 3.45 4.20 -0.04 -0.89 115.11 121.16 2cqy h GLN 79 Ca -0.05 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2cqy h GLN 79 Cb 0.38 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2cqy h GLN 79 CO 0.08 0.29 -0.01 0.93 -0.67 0.00 0.00 178.83 179.46 2cqy h GLU 80 N 0.46 -0.02 -0.84 1.46 5.08 -1.46 -3.12 114.58 116.14 2cqy h GLU 80 Ca 0.67 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 59.25 2cqy h GLU 80 Cb 1.46 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.57 2cqy h GLU 80 CO -0.49 -0.01 0.11 0.00 -1.00 0.00 0.00 179.01 177.61 2cqy h ALA 81 N -1.95 1.04 -0.72 3.43 0.00 -1.31 0.39 119.26 120.14 2cqy h ALA 81 Ca -0.00 0.25 0.13 0.00 0.00 0.00 0.00 54.91 55.28 2cqy h ALA 81 Cb 0.02 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 18.08 2cqy h ALA 81 CO 0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 179.25 178.56 2cqy n ALA 82 N -2.87 0.03 -0.12 0.00 0.00 0.09 -0.92 120.51 116.72 2cqy n ALA 82 Ca 0.18 0.75 -0.24 0.00 0.00 0.00 0.00 53.44 54.13 2cqy n ALA 82 Cb 0.59 -0.39 -0.09 0.00 0.00 0.00 0.00 19.45 19.57 2cqy n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2cqy n SER 83 N -5.11 1.93 -0.26 0.00 7.64 -0.36 -1.51 113.62 115.95 2cqy n SER 83 Ca 0.09 0.37 0.25 0.00 1.01 0.00 0.00 58.87 60.59 2cqy n SER 83 Cb 0.32 -0.83 0.45 0.00 -1.01 0.00 0.00 64.21 63.14 2cqy n SER 83 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cqy n SER 84 N -4.33 0.23 0.00 6.43 7.64 0.12 -3.04 113.62 120.67 2cqy n SER 84 Ca -0.42 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.62 2cqy n SER 84 Cb 0.76 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 -4.52 0.00 0.00 1.43 3.01 -0.10 -5.02 117.46 112.27 2cqy n PHE 85 Ca 0.28 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.74 2cqy n PHE 85 Cb 0.99 0.10 0.00 0.00 -0.01 0.00 0.00 39.48 40.57 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 2.66 0.97 3.51 1.37 0.00 -0.47 -5.04 105.19 108.19 2cqy n GLY 86 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 3.83 -0.35 1.61 1.11 -1.16 -4.73 116.67 116.98 2cqy s ASP 87 Ca 0.00 -0.86 0.08 0.00 0.18 0.00 0.00 52.55 51.95 2cqy s ASP 87 Cb 0.00 -0.45 0.68 0.00 1.07 0.00 0.00 42.92 44.22 2cqy s ASP 87 CO 0.00 0.06 1.77 -0.90 1.18 0.00 0.00 175.17 177.28 2cqy n ASP 88 N -0.41 4.14 -4.68 0.27 5.75 -1.26 -0.73 116.55 119.63 2cqy n ASP 88 Ca -0.08 -3.40 -0.42 0.00 -0.01 0.00 0.00 54.79 50.88 2cqy n ASP 88 Cb 0.58 -0.75 -0.03 0.00 -1.03 0.00 0.00 41.12 39.90 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 -3.11 4.27 0.49 0.11 1.81 -1.26 -4.84 118.95 116.42 2cqy s ARG 89 Ca 0.53 1.89 0.05 0.00 -1.72 0.00 0.00 55.73 56.49 2cqy s ARG 89 Cb 0.44 -3.68 0.00 0.00 -0.45 0.00 0.00 34.95 31.27 2cqy s ARG 89 CO 0.11 -0.63 0.28 -0.51 -0.68 0.00 0.00 175.30 173.87 2cqy s LEU 90 N 2.86 2.80 0.06 2.53 1.43 -1.26 0.73 118.68 127.84 2cqy s LEU 90 Ca 0.62 -1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.46 2cqy s LEU 90 Cb -0.29 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 2cqy s LEU 90 CO 0.24 -0.88 0.05 -0.76 0.23 0.00 0.00 176.35 175.23 2cqy s LEU 91 N -4.11 2.09 -0.09 1.79 1.43 0.57 -3.51 118.68 116.85 2cqy s LEU 91 Ca 0.33 -0.87 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 2cqy s LEU 91 Cb -0.00 0.51 0.04 0.00 0.03 0.00 0.00 46.19 46.78 2cqy s LEU 91 CO 0.19 -0.65 0.09 -0.63 0.23 0.00 0.00 176.35 175.58 2cqy s ILE 92 N -3.88 -0.13 0.11 -0.59 1.01 -1.26 -1.59 121.20 114.86 2cqy s ILE 92 Ca 0.06 0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.99 2cqy s ILE 92 Cb 0.07 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 2cqy s ILE 92 CO -0.10 0.01 -0.18 -1.61 0.00 0.00 0.00 174.94 173.05 2cqy s GLU 93 N 2.18 1.07 0.28 2.79 8.01 0.64 -3.29 118.70 130.36 2cqy s GLU 93 Ca 0.04 -1.15 -0.30 0.00 0.01 0.00 0.00 54.97 53.56 2cqy s GLU 93 Cb -0.13 -1.21 -0.13 0.00 -4.31 0.00 0.00 34.13 28.35 2cqy s GLU 93 CO -0.06 0.27 1.39 1.17 0.01 0.00 0.00 175.26 178.05 2cqy n LYS 94 N 0.98 2.14 -3.80 1.61 3.00 -1.26 -0.25 118.16 120.57 2cqy n LYS 94 Ca -0.19 0.76 -0.36 0.00 -0.00 0.00 0.00 58.31 58.52 2cqy n LYS 94 Cb 0.54 -2.41 -0.13 0.00 0.00 0.00 0.00 35.03 33.04 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 -0.36 3.05 -0.32 5.64 5.36 -1.11 -4.60 117.98 125.64 2cqy s PHE 95 Ca 0.64 -0.64 0.03 0.00 -0.96 0.00 0.00 56.93 56.00 2cqy s PHE 95 Cb -0.61 -2.20 0.09 0.00 -0.34 0.00 0.00 43.02 39.97 2cqy s PHE 95 CO 0.53 -0.44 0.03 0.42 -1.46 0.00 0.00 175.22 174.31 2cqy s ILE 96 N 1.56 1.99 0.09 3.12 -1.09 -1.26 -4.46 121.20 121.15 2cqy s ILE 96 Ca 0.06 -2.05 -0.12 0.00 -2.23 0.00 0.00 60.65 56.31 2cqy s ILE 96 Cb -0.15 -2.42 -0.22 0.00 -1.58 0.00 0.00 42.46 38.09 2cqy s ILE 96 CO 0.01 -0.52 1.22 -0.78 -1.23 0.00 0.00 174.94 173.65 2cqy h ASP 97 N 7.73 0.86 -4.10 3.58 3.58 -1.97 -3.45 116.42 122.65 2cqy h ASP 97 Ca -0.08 -0.68 -0.48 0.00 0.42 0.00 0.00 57.03 56.21 2cqy h ASP 97 Cb 1.02 -0.26 0.05 0.00 1.72 0.00 0.00 39.33 41.86 2cqy h ASP 97 CO 0.50 1.48 0.40 0.20 -2.88 0.00 0.00 179.24 178.93 2cqy s ASN 98 N -7.24 6.01 0.00 2.28 0.01 -1.26 -4.91 114.94 109.82 2cqy s ASN 98 Ca -0.09 1.99 0.15 0.00 -0.71 0.00 0.00 52.86 54.20 2cqy s ASN 98 Cb 0.07 -2.56 0.89 0.00 0.41 0.00 0.00 41.25 40.07 2cqy s ASN 98 CO 0.91 -1.01 1.36 -0.81 -1.51 0.00 0.00 177.10 176.04 2cqy n PRO 99 N -1.30 0.43 -1.83 -0.60 -0.04 -1.26 -4.79 135.00 125.62 2cqy n PRO 99 Ca 0.10 0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 2cqy n PRO 99 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 2cqy n PRO 99 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2cqy s ARG 100 N -2.12 4.17 -0.86 0.54 0.52 -1.26 -4.88 118.95 115.05 2cqy s ARG 100 Ca 0.21 2.45 -0.06 0.00 -0.52 0.00 0.00 55.73 57.82 2cqy s ARG 100 Cb 0.11 -3.72 0.01 0.00 0.52 0.00 0.00 34.95 31.87 2cqy s ARG 100 CO 0.19 -0.81 2.79 -2.39 0.02 0.00 0.00 175.30 175.09 2cqy n HIS 101 N 6.06 1.84 -0.30 -0.53 1.44 -1.26 -4.70 115.22 117.77 2cqy n HIS 101 Ca 0.17 -2.35 0.12 0.00 -2.01 0.00 0.00 57.72 53.65 2cqy n HIS 101 Cb 0.40 -1.73 0.30 0.00 0.12 0.00 0.00 29.99 29.07 2cqy n HIS 101 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 2cqy h ILE 102 N 2.35 0.52 -3.59 0.61 6.09 -1.95 -3.37 117.51 118.18 2cqy h ILE 102 Ca 0.54 -0.15 -0.63 0.00 -1.37 0.00 0.00 64.86 63.25 2cqy h ILE 102 Cb 0.63 0.04 -0.17 0.00 0.47 0.00 0.00 36.82 37.79 2cqy h ILE 102 CO 1.12 0.08 -0.54 -0.94 -3.07 0.00 0.00 178.15 174.80 2cqy s SER 103 N -5.22 5.83 0.00 2.19 1.04 -1.26 -5.07 113.70 111.21 2cqy s SER 103 Ca -0.12 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2cqy s SER 103 Cb 0.25 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.32 2cqy s SER 103 CO 0.78 0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.66 2cqy n GLY 104 N 4.38 6.12 3.71 7.32 0.00 -1.26 -5.15 105.19 120.32 2cqy n GLY 104 Ca -0.15 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 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 1.34 1.21 -0.28 1.61 0.04 -1.26 -5.04 135.00 132.62 2cqy s PRO 105 Ca 0.00 0.81 -0.03 0.00 0.04 0.00 0.00 61.00 61.82 2cqy s PRO 105 Cb 0.00 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.76 2cqy s PRO 105 CO 0.00 -2.27 0.00 0.45 0.04 0.00 0.00 177.00 175.22 2cqy s SER 106 N -3.42 4.74 -1.44 6.66 0.15 -1.26 -4.65 113.70 114.48 2cqy s SER 106 Ca 0.64 -0.95 -0.07 0.00 0.70 0.00 0.00 55.95 56.27 2cqy s SER 106 Cb -0.18 -1.75 0.05 0.00 -1.71 0.00 0.00 66.02 62.43 2cqy s SER 106 CO 0.57 -0.19 0.82 -0.24 1.20 0.00 0.00 173.24 175.40 2cqy n SER 107 N 4.72 -2.97 0.00 5.45 2.88 -1.26 -5.37 113.62 117.08 2cqy n SER 107 Ca -0.15 -0.82 0.00 0.00 -1.33 0.00 0.00 58.87 56.57 2cqy n SER 107 Cb 0.46 -3.85 0.00 0.00 -0.75 0.00 0.00 64.21 60.07 2cqy n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42