#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc s ILE 2 N 0.00 2.86 0.33 -0.61 -4.36 -1.26 -5.11 121.20 113.05 3cxc s ILE 2 Ca 0.00 0.02 0.05 0.00 -0.26 0.00 0.00 60.65 60.46 3cxc s ILE 2 Cb 0.00 -3.23 -0.07 0.00 1.25 0.00 0.00 42.46 40.42 3cxc s ILE 2 CO 0.00 -0.27 0.02 -0.44 0.24 0.00 0.00 174.94 174.50 3cxc s SER 3 N -4.44 2.77 0.20 4.36 0.01 -1.26 -5.09 113.70 110.25 3cxc s SER 3 Ca 0.58 -1.33 -0.30 0.00 1.31 0.00 0.00 55.95 56.21 3cxc s SER 3 Cb -0.11 -0.17 -0.09 0.00 0.21 0.00 0.00 66.02 65.87 3cxc s SER 3 CO 0.47 -0.51 1.29 -0.31 0.41 0.00 0.00 173.24 174.59 3cxc s TYR 4 N -3.11 3.27 -1.10 2.43 1.51 -1.26 -4.89 117.35 114.21 3cxc s TYR 4 Ca 0.35 1.26 0.24 0.00 -1.01 0.00 0.00 57.07 57.90 3cxc s TYR 4 Cb 0.08 -3.58 0.27 0.00 -0.11 0.00 0.00 41.96 38.62 3cxc s TYR 4 CO 0.15 -1.77 1.25 -1.13 -1.11 0.00 0.00 175.55 172.94 3cxc n SER 5 N 2.53 0.76 -4.39 2.29 3.41 -1.26 -4.88 113.62 112.08 3cxc n SER 5 Ca 0.06 -0.59 -0.30 0.00 -0.26 0.00 0.00 58.87 57.78 3cxc n SER 5 Cb 0.43 0.48 -0.14 0.00 -0.26 0.00 0.00 64.21 64.73 3cxc n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3cxc s VAL 6 N -2.94 2.38 0.35 -3.33 1.01 -1.26 -5.11 120.40 111.49 3cxc s VAL 6 Ca 0.11 -1.39 -0.26 0.00 0.00 0.00 0.00 61.98 60.45 3cxc s VAL 6 Cb 0.17 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.49 3cxc s VAL 6 CO 0.73 0.31 1.05 -1.61 0.00 0.00 0.00 175.10 175.59 3cxc s GLU 7 N -1.45 4.37 -0.03 2.72 2.02 -1.26 -5.05 118.70 120.02 3cxc s GLU 7 Ca 0.13 1.59 -0.00 0.00 0.02 0.00 0.00 54.97 56.71 3cxc s GLU 7 Cb -0.10 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.36 3cxc s GLU 7 CO 0.04 0.03 0.02 0.00 0.02 0.00 0.00 175.26 175.37 3cxc s ALA 8 N -1.48 0.23 -0.32 5.21 0.00 -1.26 -5.11 121.76 119.02 3cxc s ALA 8 Ca 0.52 0.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 3cxc s ALA 8 Cb -0.25 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.52 3cxc s ALA 8 CO 0.32 -0.17 1.35 0.34 0.00 0.00 0.00 175.76 177.60 3cxc s ASP 9 N 1.26 6.57 0.62 0.00 -1.08 -1.26 -4.91 116.67 117.87 3cxc s ASP 9 Ca -0.07 1.14 0.29 0.00 -0.52 0.00 0.00 52.55 53.39 3cxc s ASP 9 Cb -0.13 -2.54 1.57 0.00 -1.46 0.00 0.00 42.92 40.36 3cxc s ASP 9 CO -0.03 -1.18 1.93 1.55 0.52 0.00 0.00 175.17 177.97 3cxc h PRO 10 N 9.74 0.00 0.00 4.34 0.13 -2.00 -1.71 132.00 142.50 3cxc h PRO 10 Ca -0.27 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.71 3cxc h PRO 10 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3cxc h PRO 10 CO 1.04 0.00 -0.82 -0.44 -0.23 0.00 0.00 178.00 177.55 3cxc h ASP 11 N 0.00 0.00 -0.04 1.44 3.32 -2.03 -3.33 116.42 115.79 3cxc h ASP 11 Ca 0.11 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3cxc h ASP 11 Cb 0.87 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.33 3cxc h ASP 11 CO -0.00 0.64 -0.62 0.35 -1.72 0.00 0.00 179.24 177.89 3cxc n THR 12 N -3.18 1.81 -3.78 0.35 -2.24 -0.78 -5.05 114.28 101.41 3cxc n THR 12 Ca -0.01 -2.88 -0.13 0.00 -2.27 0.00 0.00 64.05 58.76 3cxc n THR 12 Cb 0.81 -0.04 -0.12 0.00 -2.10 0.00 0.00 70.33 68.88 3cxc n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3cxc s THR 13 N -2.72 -0.01 -0.04 4.28 2.01 -0.71 -2.57 115.64 115.88 3cxc s THR 13 Ca 0.38 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.46 3cxc s THR 13 Cb 0.37 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.53 3cxc s THR 13 CO -0.08 0.01 -0.20 0.00 -0.69 0.00 0.00 174.62 173.66 3cxc s ALA 14 N 0.31 2.43 0.38 7.40 0.00 0.45 -4.74 121.76 127.98 3cxc s ALA 14 Ca -0.02 -1.04 0.08 0.00 0.00 0.00 0.00 51.96 50.98 3cxc s ALA 14 Cb -0.03 -0.78 -0.07 0.00 0.00 0.00 0.00 23.12 22.23 3cxc s ALA 14 CO -0.01 0.53 -0.03 0.15 0.00 0.00 0.00 175.76 176.40 3cxc s LYS 15 N -0.62 1.87 -0.25 0.00 1.02 -1.26 0.11 119.74 120.62 3cxc s LYS 15 Ca 0.09 -2.02 -0.29 0.00 0.02 0.00 0.00 55.97 53.78 3cxc s LYS 15 Cb -0.11 -1.61 0.17 0.00 -0.52 0.00 0.00 37.83 35.76 3cxc s LYS 15 CO 0.00 0.02 1.24 0.00 -0.92 0.00 0.00 175.35 175.69 3cxc s ALA 16 N -2.71 -2.07 0.05 5.17 0.00 -0.72 -4.55 121.76 116.93 3cxc s ALA 16 Ca 0.34 1.77 -0.04 0.00 0.00 0.00 0.00 51.96 54.03 3cxc s ALA 16 Cb 0.07 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 3cxc s ALA 16 CO 0.17 -0.24 0.06 -1.64 0.00 0.00 0.00 175.76 174.10 3cxc s MET 17 N -0.83 0.60 -0.09 0.00 -1.94 -1.26 -1.25 119.30 114.53 3cxc s MET 17 Ca 0.05 -0.91 0.02 0.00 -1.71 0.00 0.00 55.69 53.14 3cxc s MET 17 Cb -0.02 0.23 -0.02 0.00 2.01 0.00 0.00 34.83 37.03 3cxc s MET 17 CO -0.06 -0.14 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.14 3cxc s LEU 18 N -2.40 2.55 -0.08 -0.03 1.43 -0.46 -4.95 118.68 114.75 3cxc s LEU 18 Ca -0.01 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3cxc s LEU 18 Cb 0.02 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 3cxc s LEU 18 CO -0.07 0.23 -0.09 -0.13 0.23 0.00 0.00 176.35 176.53 3cxc s ARG 19 N -0.05 2.89 -1.20 1.70 1.81 -1.26 -1.92 118.95 120.92 3cxc s ARG 19 Ca -0.04 -0.59 -0.04 0.00 -1.72 0.00 0.00 55.73 53.34 3cxc s ARG 19 Cb -0.14 -2.60 0.04 0.00 -0.45 0.00 0.00 34.95 31.80 3cxc s ARG 19 CO 0.04 0.55 0.10 0.39 -0.68 0.00 0.00 175.30 175.70 3cxc n GLU 20 N 2.55 -0.92 -2.52 3.54 1.02 -0.81 -4.86 120.64 118.64 3cxc n GLU 20 Ca -0.18 0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.62 3cxc n GLU 20 Cb 0.53 -2.83 -0.03 0.00 -0.02 0.00 0.00 31.44 29.08 3cxc n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3cxc s ARG 21 N -6.11 4.51 -0.72 3.49 1.81 0.13 -4.57 118.95 117.48 3cxc s ARG 21 Ca 0.13 1.67 -0.21 0.00 -1.72 0.00 0.00 55.73 55.60 3cxc s ARG 21 Cb -0.08 -3.36 0.09 0.00 -0.45 0.00 0.00 34.95 31.16 3cxc s ARG 21 CO 0.74 -0.12 0.97 -0.65 -0.68 0.00 0.00 175.30 175.57 3cxc s GLN 22 N 0.68 3.23 0.29 3.54 -0.21 -1.26 0.94 119.66 126.88 3cxc s GLN 22 Ca 0.55 -1.16 -0.20 0.00 0.02 0.00 0.00 55.36 54.56 3cxc s GLN 22 Cb -0.27 -4.42 0.03 0.00 1.00 0.00 0.00 33.01 29.34 3cxc s GLN 22 CO 0.30 -1.76 0.75 0.00 -2.12 0.00 0.00 175.29 172.46 3cxc s MET 23 N 3.47 1.82 0.15 2.91 0.23 -1.23 -5.01 119.30 121.65 3cxc s MET 23 Ca 0.23 -1.04 -0.32 0.00 -1.03 0.00 0.00 55.69 53.53 3cxc s MET 23 Cb -0.15 0.60 -0.12 0.00 -1.53 0.00 0.00 34.83 33.63 3cxc s MET 23 CO 0.04 -0.84 1.76 0.45 -2.03 0.00 0.00 175.02 174.40 3cxc n SER 24 N -0.63 3.84 0.08 -1.18 2.88 -1.26 -4.53 113.62 112.82 3cxc n SER 24 Ca -0.05 1.03 -0.12 0.00 -1.33 0.00 0.00 58.87 58.40 3cxc n SER 24 Cb 0.59 -1.53 -0.06 0.00 -0.75 0.00 0.00 64.21 62.47 3cxc n SER 24 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3cxc h PHE 25 N 7.50 0.46 -0.19 0.66 3.57 -1.96 -3.05 116.94 123.93 3cxc h PHE 25 Ca -0.45 -0.27 -0.09 0.00 3.53 0.00 0.00 57.97 60.69 3cxc h PHE 25 Cb 1.22 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 3cxc h PHE 25 CO 0.71 1.12 -0.28 0.87 -2.23 0.00 0.00 178.31 178.50 3cxc h LYS 26 N 0.15 0.35 -0.35 1.11 1.57 -2.01 -2.20 116.57 115.20 3cxc h LYS 26 Ca -0.08 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.40 3cxc h LYS 26 Cb 1.65 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.93 3cxc h LYS 26 CO 0.16 0.61 -0.42 0.45 -0.57 0.00 0.00 179.45 179.68 3cxc h HIS 27 N 0.31 1.09 -0.36 -1.35 3.86 -1.95 -3.04 115.15 113.72 3cxc h HIS 27 Ca 0.05 -0.35 -0.02 0.00 -1.16 0.00 0.00 60.37 58.89 3cxc h HIS 27 Cb 0.66 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 3cxc h HIS 27 CO 0.02 1.17 0.14 0.77 0.86 0.00 0.00 177.93 180.89 3cxc h SER 28 N 0.70 0.49 -0.68 2.45 0.02 -1.38 -0.04 113.55 115.12 3cxc h SER 28 Ca 0.05 -0.17 0.11 0.00 -0.84 0.00 0.00 61.79 60.94 3cxc h SER 28 Cb 1.02 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 63.36 3cxc h SER 28 CO 0.10 0.53 0.27 0.11 -1.14 0.00 0.00 176.83 176.70 3cxc h LYS 29 N 0.43 0.44 -0.60 3.45 1.57 -1.39 0.13 116.57 120.59 3cxc h LYS 29 Ca 0.12 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3cxc h LYS 29 Cb 0.19 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3cxc h LYS 29 CO -0.01 0.29 0.13 0.00 -0.57 0.00 0.00 179.45 179.29 3cxc h ALA 30 N 1.47 0.79 0.27 3.86 0.00 -1.34 0.93 119.26 125.24 3cxc h ALA 30 Ca 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3cxc h ALA 30 Cb 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3cxc h ALA 30 CO -0.34 0.52 -0.13 0.82 0.00 0.00 0.00 179.25 180.12 3cxc h ILE 31 N 0.88 0.72 -0.34 0.00 2.04 -0.30 -2.18 117.51 118.32 3cxc h ILE 31 Ca 0.19 -0.77 0.07 0.00 1.00 0.00 0.00 64.86 65.35 3cxc h ILE 31 Cb 0.38 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.47 3cxc h ILE 31 CO 0.01 0.14 -0.30 0.00 0.00 0.00 0.00 178.15 178.00 3cxc h ALA 32 N -0.28 -0.17 -0.70 1.87 0.00 -0.76 -0.23 119.26 119.00 3cxc h ALA 32 Ca -0.04 0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.10 3cxc h ALA 32 Cb 0.51 0.65 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 3cxc h ALA 32 CO 0.06 -0.71 -0.21 -0.09 0.00 0.00 0.00 179.25 178.29 3cxc h ARG 33 N -0.26 -0.03 0.23 0.00 2.43 -0.77 -2.60 114.38 113.39 3cxc h ARG 33 Ca 0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3cxc h ARG 33 Cb 0.52 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3cxc h ARG 33 CO -0.49 -0.02 -0.11 1.49 -1.51 0.00 0.00 179.97 179.33 3cxc h GLU 34 N -0.03 -0.30 0.00 0.20 4.57 -0.41 -3.26 114.58 115.35 3cxc h GLU 34 Ca 0.32 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 3cxc h GLU 34 Cb 0.53 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 3cxc h GLU 34 CO -0.73 -0.08 0.00 0.44 -1.18 0.00 0.00 179.01 177.45 3cxc n ILE 35 N -5.15 0.31 -2.12 2.32 -5.35 -0.63 -4.83 119.36 103.91 3cxc n ILE 35 Ca -0.09 0.08 -0.42 0.00 -0.27 0.00 0.00 62.75 62.05 3cxc n ILE 35 Cb 0.20 -0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 37.36 3cxc n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3cxc s LYS 36 N -2.60 4.32 0.00 6.28 2.20 -1.00 -2.07 119.74 126.88 3cxc s LYS 36 Ca 0.20 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 3cxc s LYS 36 Cb 0.15 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 3cxc s LYS 36 CO 0.34 -0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 3cxc n GLY 37 N 2.77 3.30 3.77 5.54 0.00 -0.90 -5.02 105.19 114.65 3cxc n GLY 37 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3cxc n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cxc s LYS 38 N -0.64 0.31 -0.02 1.61 1.02 -0.88 -4.54 119.74 116.60 3cxc s LYS 38 Ca 0.00 -0.03 -0.11 0.00 0.02 0.00 0.00 55.97 55.85 3cxc s LYS 38 Cb 0.00 -1.77 -0.05 0.00 -0.52 0.00 0.00 37.83 35.49 3cxc s LYS 38 CO 0.00 -2.70 0.32 0.99 -0.92 0.00 0.00 175.35 173.04 3cxc s THR 39 N -3.39 5.19 0.33 2.17 2.01 -1.26 -0.57 115.64 120.12 3cxc s THR 39 Ca 0.69 0.56 0.09 0.00 0.31 0.00 0.00 61.69 63.34 3cxc s THR 39 Cb -0.10 -3.61 0.39 0.00 0.01 0.00 0.00 72.50 69.19 3cxc s THR 39 CO 0.54 0.53 1.58 0.00 -0.69 0.00 0.00 174.62 176.58 3cxc h ALA 40 N 4.58 1.55 0.07 7.40 0.00 -0.98 0.25 119.26 132.13 3cxc h ALA 40 Ca -0.52 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3cxc h ALA 40 Cb 1.22 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3cxc h ALA 40 CO 0.62 -0.72 -0.03 0.78 0.00 0.00 0.00 179.25 179.90 3cxc h GLY 41 N 0.01 -0.09 0.39 0.00 0.00 -1.67 -2.08 103.07 99.62 3cxc h GLY 41 Ca 0.70 0.03 0.08 0.00 0.00 0.00 0.00 47.33 48.14 3cxc h GLY 41 CO -0.86 -0.03 0.09 0.83 0.00 0.00 0.00 176.54 176.56 3cxc h GLU 42 N -0.47 0.22 -0.26 4.80 5.08 -1.08 -1.49 114.58 121.38 3cxc h GLU 42 Ca -0.01 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3cxc h GLU 42 Cb 0.40 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 3cxc h GLU 42 CO 0.02 0.15 -0.20 0.00 -1.00 0.00 0.00 179.01 177.97 3cxc h ALA 43 N 1.37 -0.04 -0.17 3.43 0.00 -0.61 0.38 119.26 123.62 3cxc h ALA 43 Ca 0.24 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.27 3cxc h ALA 43 Cb 0.31 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3cxc h ALA 43 CO -0.31 -0.62 -0.07 0.28 0.00 0.00 0.00 179.25 178.54 3cxc h VAL 44 N -0.19 0.77 -0.33 0.00 2.07 -0.72 0.26 116.25 118.10 3cxc h VAL 44 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 3cxc h VAL 44 Cb 0.41 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 3cxc h VAL 44 CO -0.38 0.00 -0.02 0.44 0.02 0.00 0.00 177.57 177.63 3cxc h ASP 45 N -0.04 -0.18 0.00 0.57 3.32 -0.49 -0.30 116.42 119.29 3cxc h ASP 45 Ca 0.09 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3cxc h ASP 45 Cb 0.17 0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3cxc h ASP 45 CO -0.20 -0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.27 3cxc n TYR 46 N -5.20 0.00 -0.05 4.55 9.36 0.13 -1.87 117.16 124.08 3cxc n TYR 46 Ca 0.01 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.45 3cxc n TYR 46 Cb 0.18 -0.38 0.48 0.00 -0.63 0.00 0.00 39.34 38.98 3cxc n TYR 46 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3cxc h LEU 47 N 0.00 0.00 0.22 2.98 3.38 -0.30 0.42 115.31 122.00 3cxc h LEU 47 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3cxc h LEU 47 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 3cxc h LEU 47 CO 0.00 0.00 -1.54 -0.33 0.09 0.00 0.00 178.44 176.66 3cxc h GLU 48 N 0.00 0.46 -0.11 1.13 5.08 -0.58 -2.76 114.58 117.79 3cxc h GLU 48 Ca 0.34 -0.79 -0.05 0.00 -1.00 0.00 0.00 59.36 57.86 3cxc h GLU 48 Cb 2.28 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 31.82 3cxc h GLU 48 CO -0.00 1.37 -0.16 0.00 -1.00 0.00 0.00 179.01 179.22 3cxc h ALA 49 N 0.21 1.53 0.67 3.43 0.00 0.53 0.27 119.26 125.89 3cxc h ALA 49 Ca -0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3cxc h ALA 49 Cb 2.13 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.85 3cxc h ALA 49 CO 0.24 0.34 -0.32 0.28 0.00 0.00 0.00 179.25 179.79 3cxc h VAL 50 N 0.17 0.00 -0.98 0.00 2.07 -1.27 0.38 116.25 116.62 3cxc h VAL 50 Ca 0.03 -0.18 0.27 0.00 0.82 0.00 0.00 66.70 67.65 3cxc h VAL 50 Cb 0.39 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.02 3cxc h VAL 50 CO 0.02 0.00 0.54 0.40 0.02 0.00 0.00 177.57 178.56 3cxc h ILE 51 N -1.07 0.43 -0.05 4.57 2.04 -1.18 1.33 117.51 123.57 3cxc h ILE 51 Ca -0.09 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 3cxc h ILE 51 Cb 0.69 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3cxc h ILE 51 CO 0.15 0.08 -0.37 -0.08 0.00 0.00 0.00 178.15 177.93 3cxc h GLU 52 N 0.45 0.10 0.00 2.37 4.57 -0.69 -3.47 114.58 117.91 3cxc h GLU 52 Ca 0.66 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.80 3cxc h GLU 52 Cb 1.36 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 3cxc h GLU 52 CO -0.54 0.46 0.00 0.41 -1.18 0.00 0.00 179.01 178.16 3cxc n GLY 53 N -0.39 0.88 0.04 1.92 0.00 0.46 -4.96 105.19 103.15 3cxc n GLY 53 Ca -0.02 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.94 3cxc n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cxc n ASP 54 N 0.29 1.04 -3.92 1.61 8.00 0.52 -4.88 116.55 119.21 3cxc n ASP 54 Ca 0.00 -1.02 -0.23 0.00 0.71 0.00 0.00 54.79 54.25 3cxc n ASP 54 Cb 0.00 0.96 -0.17 0.00 -0.02 0.00 0.00 41.12 41.89 3cxc n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3cxc s GLN 55 N -2.89 1.19 -0.06 -1.24 2.00 -1.05 -4.96 119.66 112.65 3cxc s GLN 55 Ca 0.08 -0.20 -0.07 0.00 -2.00 0.00 0.00 55.36 53.17 3cxc s GLN 55 Cb 0.16 -1.15 -0.04 0.00 0.80 0.00 0.00 33.01 32.77 3cxc s GLN 55 CO 0.82 -0.11 0.21 -1.25 -0.50 0.00 0.00 175.29 174.46 3cxc s PRO 56 N 1.10 3.53 -0.26 1.67 0.04 -1.26 -4.06 135.00 135.75 3cxc s PRO 56 Ca -0.08 -0.08 -0.23 0.00 0.04 0.00 0.00 61.00 60.65 3cxc s PRO 56 Cb -0.14 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 3cxc s PRO 56 CO -0.01 0.72 0.76 0.08 0.04 0.00 0.00 177.00 178.59 3cxc s VAL 57 N -1.14 4.87 0.07 -0.36 1.01 0.19 -4.84 120.40 120.20 3cxc s VAL 57 Ca 0.21 1.35 -0.31 0.00 0.00 0.00 0.00 61.98 63.24 3cxc s VAL 57 Cb -0.13 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 3cxc s VAL 57 CO 0.10 -0.08 1.81 -2.84 0.00 0.00 0.00 175.10 174.09 3cxc s PRO 58 N 2.77 4.16 -0.38 2.72 0.02 -1.26 -1.87 135.00 141.15 3cxc s PRO 58 Ca 0.32 2.50 -0.14 0.00 0.02 0.00 0.00 61.00 63.70 3cxc s PRO 58 Cb -0.15 -3.80 0.00 0.00 0.02 0.00 0.00 34.50 30.58 3cxc s PRO 58 CO 0.09 -0.85 0.30 -0.06 -0.33 0.00 0.00 177.00 176.14 3cxc s PHE 59 N 3.34 3.23 -0.05 6.54 2.99 0.12 -4.87 117.98 129.28 3cxc s PHE 59 Ca 0.81 -0.39 0.10 0.00 0.00 0.00 0.00 56.93 57.44 3cxc s PHE 59 Cb -0.42 -2.58 -0.15 0.00 0.00 0.00 0.00 43.02 39.87 3cxc s PHE 59 CO 0.36 -0.50 0.15 1.63 -0.00 0.00 0.00 175.22 176.86 3cxc n LYS 60 N 5.19 1.14 -0.11 0.44 5.02 -1.26 -4.54 118.16 124.05 3cxc n LYS 60 Ca -0.11 -0.06 -0.22 0.00 -2.02 0.00 0.00 58.31 55.89 3cxc n LYS 60 Cb 0.48 -1.25 -0.08 0.00 -0.02 0.00 0.00 35.03 34.16 3cxc n LYS 60 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3cxc n GLN 61 N -2.07 0.46 -3.10 1.97 7.27 -1.26 -4.74 117.38 115.92 3cxc n GLN 61 Ca -0.08 0.19 -0.44 0.00 0.07 0.00 0.00 57.00 56.75 3cxc n GLN 61 Cb 0.49 -1.28 0.01 0.00 2.41 0.00 0.00 30.24 31.87 3cxc n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3cxc n HIS 62 N -3.89 3.65 -0.54 3.69 8.25 -1.26 -4.72 115.22 120.39 3cxc n HIS 62 Ca -0.42 -3.17 0.04 0.00 -0.26 0.00 0.00 57.72 53.91 3cxc n HIS 62 Cb 0.81 -1.52 0.05 0.00 1.12 0.00 0.00 29.99 30.44 3cxc n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3cxc n ASN 63 N 2.22 1.93 -4.70 0.41 6.94 -1.26 -4.95 115.26 115.85 3cxc n ASN 63 Ca 0.27 -2.34 -0.42 0.00 -0.02 0.00 0.00 54.58 52.06 3cxc n ASN 63 Cb 0.36 -0.17 -0.03 0.00 -2.36 0.00 0.00 39.78 37.59 3cxc n ASN 63 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3cxc s SER 64 N -1.63 6.62 0.00 0.53 1.04 -1.26 -2.13 113.70 116.86 3cxc s SER 64 Ca 0.12 2.50 0.00 0.00 0.48 0.00 0.00 55.95 59.05 3cxc s SER 64 Cb 0.10 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.65 3cxc s SER 64 CO 0.01 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.99 3cxc n GLY 65 N 3.89 2.75 3.74 7.32 0.00 -1.26 -4.99 105.19 116.63 3cxc n GLY 65 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3cxc n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cxc s VAL 66 N -2.95 3.51 0.60 1.61 1.01 -0.91 -5.01 120.40 118.27 3cxc s VAL 66 Ca 0.00 1.25 -0.14 0.00 0.00 0.00 0.00 61.98 63.09 3cxc s VAL 66 Cb 0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3cxc s VAL 66 CO 0.00 0.19 1.04 -0.83 0.00 0.00 0.00 175.10 175.51 3cxc s GLY 67 N 0.20 1.99 0.47 4.51 0.00 -1.26 -4.85 107.32 108.37 3cxc s GLY 67 Ca 0.54 0.26 -0.21 0.00 0.00 0.00 0.00 44.72 45.31 3cxc s GLY 67 CO 0.37 0.56 1.02 0.30 0.00 0.00 0.00 173.10 175.35 3cxc s HIS 68 N -2.66 3.09 -0.17 1.90 0.09 -1.26 -3.65 115.29 112.63 3cxc s HIS 68 Ca 0.61 1.59 0.01 0.00 -0.00 0.00 0.00 55.06 57.26 3cxc s HIS 68 Cb -0.14 -3.01 0.03 0.00 -0.00 0.00 0.00 32.58 29.46 3cxc s HIS 68 CO 0.41 -0.63 -0.12 0.15 -0.00 0.00 0.00 174.74 174.55 3cxc s LYS 69 N -3.18 2.15 0.20 1.40 -0.14 0.13 -4.89 119.74 115.40 3cxc s LYS 69 Ca 0.65 -0.70 -0.14 0.00 -1.36 0.00 0.00 55.97 54.43 3cxc s LYS 69 Cb -0.15 -2.25 0.21 0.00 -1.68 0.00 0.00 37.83 33.96 3cxc s LYS 69 CO 0.18 -0.33 1.63 0.66 -0.76 0.00 0.00 175.35 176.73 3cxc h SER 70 N 8.02 -0.57 -0.23 2.83 4.64 -1.97 -1.90 113.55 124.37 3cxc h SER 70 Ca -0.33 0.18 0.07 0.00 -0.47 0.00 0.00 61.79 61.24 3cxc h SER 70 Cb 1.12 0.37 -0.01 0.00 -0.31 0.00 0.00 62.40 63.57 3cxc h SER 70 CO 0.50 -0.20 0.23 0.11 -0.87 0.00 0.00 176.83 176.60 3cxc h LYS 71 N -0.01 0.00 -6.69 4.77 1.57 -1.96 -3.42 116.57 110.84 3cxc h LYS 71 Ca 0.28 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.54 3cxc h LYS 71 Cb 0.44 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.80 3cxc h LYS 71 CO -0.61 0.00 0.84 0.08 -0.57 0.00 0.00 179.45 179.19 3cxc s VAL 72 N -4.72 2.54 -0.14 0.50 1.01 -0.72 -4.99 120.40 113.88 3cxc s VAL 72 Ca -0.05 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 3cxc s VAL 72 Cb 0.16 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 3cxc s VAL 72 CO 0.58 0.05 -0.11 -0.62 0.00 0.00 0.00 175.10 175.00 3cxc s ASP 73 N 0.77 4.13 0.00 3.32 2.15 -1.26 -4.47 116.67 121.31 3cxc s ASP 73 Ca 0.65 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.33 3cxc s ASP 73 Cb -0.44 -1.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 3cxc s ASP 73 CO 0.38 0.15 0.00 0.61 -0.17 0.00 0.00 175.17 176.14 3cxc n GLY 74 N 3.62 1.85 1.65 2.66 0.00 -1.26 -4.96 105.19 108.75 3cxc n GLY 74 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 3cxc n GLY 74 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3cxc n TRP 75 N -2.00 -0.72 0.00 1.61 -0.00 -1.26 -5.13 117.44 109.93 3cxc n TRP 75 Ca 0.00 -1.26 0.00 0.00 -0.00 0.00 0.00 57.50 56.24 3cxc n TRP 75 Cb 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 31.31 31.53 3cxc n TRP 75 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 3cxc n ASP 76 N -2.07 0.78 -4.76 5.87 5.68 -1.26 -4.77 116.55 116.02 3cxc n ASP 76 Ca 0.02 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.91 3cxc n ASP 76 Cb 0.30 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.22 3cxc n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cxc s ALA 77 N -1.83 3.44 0.06 2.12 0.00 -1.26 0.19 121.76 124.47 3cxc s ALA 77 Ca 0.00 0.16 -0.26 0.00 0.00 0.00 0.00 51.96 51.85 3cxc s ALA 77 Cb 0.00 -2.86 0.09 0.00 0.00 0.00 0.00 23.12 20.35 3cxc s ALA 77 CO 0.00 0.14 0.74 0.20 0.00 0.00 0.00 175.76 176.84 3cxc s GLY 78 N -0.22 -0.53 0.10 0.00 0.00 -1.24 -0.70 107.32 104.72 3cxc s GLY 78 Ca 0.34 0.86 0.02 0.00 0.00 0.00 0.00 44.72 45.95 3cxc s GLY 78 CO 0.20 0.35 0.09 0.54 0.00 0.00 0.00 173.10 174.28 3cxc n ARG 79 N -0.15 0.13 -3.69 2.90 1.74 -0.78 -4.73 116.66 112.08 3cxc n ARG 79 Ca -0.14 -0.97 -0.28 0.00 -0.77 0.00 0.00 57.85 55.70 3cxc n ARG 79 Cb 0.63 0.81 -0.10 0.00 -1.02 0.00 0.00 32.46 32.77 3cxc n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3cxc n TYR 80 N -0.19 3.42 -1.80 -1.55 4.02 -1.26 0.57 117.16 120.38 3cxc n TYR 80 Ca 0.02 -4.25 -0.20 0.00 -0.01 0.00 0.00 57.90 53.47 3cxc n TYR 80 Cb 0.18 -0.60 -0.07 0.00 -0.02 0.00 0.00 39.34 38.83 3cxc n TYR 80 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 3cxc s PRO 81 N -1.91 1.91 0.10 -0.72 0.02 -1.26 -4.81 135.00 128.32 3cxc s PRO 81 Ca 0.32 -0.25 -0.14 0.00 0.02 0.00 0.00 61.00 60.94 3cxc s PRO 81 Cb 0.04 -4.99 -0.11 0.00 0.02 0.00 0.00 34.50 29.47 3cxc s PRO 81 CO -0.10 -4.35 1.38 1.05 -0.33 0.00 0.00 177.00 174.65 3cxc h GLU 82 N 11.49 0.72 0.36 5.54 4.11 -1.92 -1.73 114.58 133.15 3cxc h GLU 82 Ca 0.07 -0.44 -0.02 0.00 0.07 0.00 0.00 59.36 59.05 3cxc h GLU 82 Cb 0.99 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3cxc h GLU 82 CO 1.10 1.06 -0.17 -0.22 0.07 0.00 0.00 179.01 180.85 3cxc h LYS 83 N 0.45 -0.46 -0.67 1.06 3.64 -2.00 -1.94 116.57 116.64 3cxc h LYS 83 Ca 0.02 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3cxc h LYS 83 Cb 1.00 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 3cxc h LYS 83 CO 0.09 -0.25 0.36 0.00 -2.27 0.00 0.00 179.45 177.38 3cxc h ALA 84 N 0.03 1.36 -0.62 5.00 0.00 -1.94 -2.08 119.26 121.02 3cxc h ALA 84 Ca -0.05 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3cxc h ALA 84 Cb 0.43 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3cxc h ALA 84 CO 0.08 0.52 0.41 0.77 0.00 0.00 0.00 179.25 181.03 3cxc h SER 85 N 0.94 0.66 -0.03 0.00 0.02 -1.10 -1.51 113.55 112.53 3cxc h SER 85 Ca 0.24 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 61.00 3cxc h SER 85 Cb 0.04 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 3cxc h SER 85 CO -0.04 0.47 -0.58 0.11 -1.14 0.00 0.00 176.83 175.65 3cxc h LYS 86 N 0.77 0.62 0.00 3.45 1.57 -0.67 -1.15 116.57 121.16 3cxc h LYS 86 Ca 0.24 -0.41 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 3cxc h LYS 86 Cb 0.01 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3cxc h LYS 86 CO -0.06 1.02 -0.36 0.00 -0.57 0.00 0.00 179.45 179.48 3cxc h ALA 87 N 0.89 1.22 0.01 3.86 0.00 -0.97 -1.32 119.26 122.95 3cxc h ALA 87 Ca 0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.39 3cxc h ALA 87 Cb 1.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3cxc h ALA 87 CO 0.11 0.45 -0.94 0.74 0.00 0.00 0.00 179.25 179.61 3cxc h PHE 88 N 0.00 0.07 0.00 0.00 -1.00 -1.01 -1.49 116.94 113.51 3cxc h PHE 88 Ca -0.00 -0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.63 3cxc h PHE 88 Cb 0.72 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 3cxc h PHE 88 CO 0.00 0.96 -0.45 -0.07 -1.61 0.00 0.00 178.31 177.14 3cxc h LEU 89 N 0.02 0.00 -0.16 1.54 3.38 -0.70 0.18 115.31 119.57 3cxc h LEU 89 Ca -0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 3cxc h LEU 89 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 3cxc h LEU 89 CO 0.13 0.45 -0.50 0.44 0.09 0.00 0.00 178.44 179.05 3cxc h ASP 90 N 0.00 0.72 -0.62 -0.43 3.32 -1.11 -0.59 116.42 117.71 3cxc h ASP 90 Ca -0.00 -0.59 -0.03 0.00 0.02 0.00 0.00 57.03 56.42 3cxc h ASP 90 Cb 0.86 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 3cxc h ASP 90 CO 0.06 1.19 0.27 0.25 -1.72 0.00 0.00 179.24 179.29 3cxc h LEU 91 N 0.29 0.83 -0.23 1.55 5.85 -0.85 -2.49 115.31 120.27 3cxc h LEU 91 Ca -0.02 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3cxc h LEU 91 Cb 1.12 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 3cxc h LEU 91 CO 0.11 0.76 0.03 -0.07 -0.34 0.00 0.00 178.44 178.92 3cxc h LEU 92 N 0.86 0.37 -2.65 2.25 3.38 -0.59 -1.80 115.31 117.13 3cxc h LEU 92 Ca 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3cxc h LEU 92 Cb 0.16 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3cxc h LEU 92 CO -0.02 0.55 0.00 -0.08 0.09 0.00 0.00 178.44 178.98 3cxc h GLU 93 N 0.18 0.00 0.00 1.13 4.81 -0.98 0.70 114.58 120.43 3cxc h GLU 93 Ca 0.07 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3cxc h GLU 93 Cb 0.34 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 3cxc h GLU 93 CO 0.01 0.00 -0.07 -0.97 -0.73 0.00 0.00 179.01 177.25 3cxc h ASN 94 N 0.00 0.00 -0.67 1.04 -1.24 -1.18 -2.88 115.58 110.65 3cxc h ASN 94 Ca 0.00 -0.05 0.14 0.00 0.71 0.00 0.00 56.30 57.11 3cxc h ASN 94 Cb 0.00 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 38.93 3cxc h ASN 94 CO -0.00 0.56 -0.02 0.00 -1.29 0.00 0.00 177.43 176.68 3cxc h ALA 95 N -0.95 0.65 -0.10 1.57 0.00 -0.99 0.14 119.26 119.58 3cxc h ALA 95 Ca -0.00 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3cxc h ALA 95 Cb 0.11 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3cxc h ALA 95 CO -0.00 -0.41 -0.26 0.28 0.00 0.00 0.00 179.25 178.87 3cxc h VAL 96 N 0.10 1.23 -0.13 0.00 2.07 -1.02 -0.27 116.25 118.24 3cxc h VAL 96 Ca 0.35 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 3cxc h VAL 96 Cb 0.59 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3cxc h VAL 96 CO -0.59 0.32 -0.13 1.23 0.02 0.00 0.00 177.57 178.42 3cxc h GLY 97 N 0.94 0.34 1.21 2.17 0.00 -0.61 -2.14 103.07 104.98 3cxc h GLY 97 Ca 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3cxc h GLY 97 CO 0.04 0.31 0.45 3.43 0.00 0.00 0.00 176.54 180.77 3cxc h ASN 98 N -0.08 0.92 -0.61 0.19 -0.26 -0.68 -1.90 115.58 113.17 3cxc h ASN 98 Ca 0.02 -0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.66 3cxc h ASN 98 Cb 0.66 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.66 3cxc h ASN 98 CO 0.03 0.72 0.21 0.00 -1.06 0.00 0.00 177.43 177.33 3cxc h ALA 99 N 1.44 0.79 -0.26 -0.83 0.00 -0.94 -2.89 119.26 116.57 3cxc h ALA 99 Ca 0.27 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3cxc h ALA 99 Cb -0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3cxc h ALA 99 CO -0.05 0.44 -0.34 -0.44 0.00 0.00 0.00 179.25 178.86 3cxc h ASP 100 N 0.86 0.75 0.03 0.00 3.32 -1.07 -2.05 116.42 118.26 3cxc h ASP 100 Ca 0.20 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3cxc h ASP 100 Cb 0.26 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3cxc h ASP 100 CO -0.01 1.10 0.00 1.57 -1.72 0.00 0.00 179.24 180.18 3cxc n HIS 101 N -4.24 0.00 0.65 4.55 -0.00 -0.74 0.50 115.22 115.94 3cxc n HIS 101 Ca -0.04 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.21 3cxc n HIS 101 Cb 0.50 -0.43 0.04 0.00 -0.12 0.00 0.00 29.99 29.98 3cxc n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 3cxc n GLN 102 N -1.43 1.39 -0.06 1.57 6.02 -0.86 -4.99 117.38 119.01 3cxc n GLN 102 Ca 0.00 -1.18 0.00 0.00 -0.01 0.00 0.00 57.00 55.81 3cxc n GLN 102 Cb 0.01 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.00 3cxc n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cxc n GLY 103 N 0.96 0.52 2.84 1.08 0.00 0.18 -5.08 105.19 105.69 3cxc n GLY 103 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3cxc n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3cxc n PHE 104 N -2.00 -3.85 -3.56 1.61 3.01 -0.83 -4.99 117.46 106.86 3cxc n PHE 104 Ca 0.00 -0.93 -0.39 0.00 1.01 0.00 0.00 57.45 57.14 3cxc n PHE 104 Cb 0.00 -0.72 -0.05 0.00 -0.01 0.00 0.00 39.48 38.70 3cxc n PHE 104 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3cxc s ASP 105 N -4.48 6.24 0.05 4.37 2.15 -1.26 -4.34 116.67 119.40 3cxc s ASP 105 Ca 0.54 -3.48 -0.09 0.00 0.43 0.00 0.00 52.55 49.95 3cxc s ASP 105 Cb -0.02 -1.99 -0.02 0.00 -0.30 0.00 0.00 42.92 40.59 3cxc s ASP 105 CO 0.38 -0.27 0.99 0.61 -0.17 0.00 0.00 175.17 176.71 3cxc n GLY 106 N 2.73 -2.44 0.35 2.66 0.00 -1.26 -1.25 105.19 105.97 3cxc n GLY 106 Ca 0.19 0.67 0.18 0.00 0.00 0.00 0.00 46.02 47.06 3cxc n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3cxc h GLU 107 N 0.00 0.56 0.00 1.61 5.08 -1.94 0.14 114.58 120.03 3cxc h GLU 107 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3cxc h GLU 107 Cb 0.12 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3cxc h GLU 107 CO -0.28 0.37 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 3cxc n ALA 108 N -2.32 2.23 -1.78 3.43 0.00 -0.38 -1.95 120.51 119.74 3cxc n ALA 108 Ca 0.27 -0.11 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 3cxc n ALA 108 Cb 0.75 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 3cxc n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3cxc s MET 109 N -2.70 4.21 0.30 0.00 -1.94 0.48 -4.64 119.30 115.01 3cxc s MET 109 Ca 0.20 1.52 -0.23 0.00 -1.71 0.00 0.00 55.69 55.47 3cxc s MET 109 Cb 0.17 -2.59 -0.09 0.00 2.01 0.00 0.00 34.83 34.33 3cxc s MET 109 CO 0.40 -0.11 0.88 0.99 -0.01 0.00 0.00 175.02 177.17 3cxc s THR 110 N -1.63 4.34 -0.98 2.05 2.01 -0.32 -0.95 115.64 120.16 3cxc s THR 110 Ca 0.57 1.62 -0.20 0.00 0.31 0.00 0.00 61.69 63.98 3cxc s THR 110 Cb -0.22 -3.92 0.10 0.00 0.01 0.00 0.00 72.50 68.47 3cxc s THR 110 CO 0.28 0.11 1.28 -0.63 -0.69 0.00 0.00 174.62 174.97 3cxc s ILE 111 N -1.65 4.42 0.16 1.82 1.01 0.26 -1.11 121.20 126.11 3cxc s ILE 111 Ca 0.49 -1.33 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 3cxc s ILE 111 Cb -0.17 -4.90 0.03 0.00 0.01 0.00 0.00 42.46 37.43 3cxc s ILE 111 CO 0.22 -1.69 1.75 0.50 0.00 0.00 0.00 174.94 175.73 3cxc h LYS 112 N 9.09 0.67 -3.10 2.79 3.64 -1.25 -2.40 116.57 126.01 3cxc h LYS 112 Ca 0.19 -0.09 -0.15 0.00 -1.27 0.00 0.00 60.65 59.34 3cxc h LYS 112 Cb 1.01 -0.13 -0.24 0.00 -0.41 0.00 0.00 32.23 32.46 3cxc h LYS 112 CO 1.24 0.54 -0.38 -1.58 -2.27 0.00 0.00 179.45 177.01 3cxc s HIS 113 N -5.81 -0.24 -0.30 1.91 5.04 -1.07 -4.84 115.29 109.99 3cxc s HIS 113 Ca -0.13 0.54 -0.11 0.00 -1.54 0.00 0.00 55.06 53.81 3cxc s HIS 113 Cb 0.11 0.08 0.13 0.00 0.04 0.00 0.00 32.58 32.95 3cxc s HIS 113 CO 0.75 -0.22 0.71 0.54 -2.34 0.00 0.00 174.74 174.19 3cxc s VAL 114 N -0.37 -0.81 -0.06 0.89 0.11 -1.25 0.25 120.40 119.16 3cxc s VAL 114 Ca -0.05 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.92 3cxc s VAL 114 Cb -0.03 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.83 3cxc s VAL 114 CO 0.01 0.00 0.22 0.00 -3.33 0.00 0.00 175.10 172.00 3cxc s ALA 115 N 2.69 -0.54 0.06 1.54 0.00 -0.74 -4.75 121.76 120.01 3cxc s ALA 115 Ca -0.06 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 3cxc s ALA 115 Cb -0.10 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 3cxc s ALA 115 CO -0.19 -0.14 0.26 0.00 0.00 0.00 0.00 175.76 175.69 3cxc s ALA 116 N -0.28 3.92 -0.02 0.00 0.00 -1.26 -1.92 121.76 122.19 3cxc s ALA 116 Ca -0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 3cxc s ALA 116 Cb -0.03 -1.96 0.02 0.00 0.00 0.00 0.00 23.12 21.16 3cxc s ALA 116 CO 0.01 0.74 0.04 -1.01 0.00 0.00 0.00 175.76 175.55 3cxc s HIS 117 N -1.47 -0.01 -0.53 0.00 3.76 0.48 -4.95 115.29 112.56 3cxc s HIS 117 Ca 0.34 0.16 -0.24 0.00 -0.15 0.00 0.00 55.06 55.17 3cxc s HIS 117 Cb -0.13 -0.14 0.04 0.00 1.11 0.00 0.00 32.58 33.46 3cxc s HIS 117 CO 0.23 -0.08 0.90 0.21 -0.85 0.00 0.00 174.74 175.16 3cxc s LYS 118 N 0.75 3.33 0.13 1.40 2.20 -1.26 -1.17 119.74 125.12 3cxc s LYS 118 Ca -0.06 -0.28 0.25 0.00 -0.36 0.00 0.00 55.97 55.52 3cxc s LYS 118 Cb -0.09 -4.04 0.44 0.00 -1.51 0.00 0.00 37.83 32.63 3cxc s LYS 118 CO -0.02 -1.41 1.41 0.28 -0.36 0.00 0.00 175.35 175.24 3cxc n VAL 119 N 6.15 0.38 -1.26 4.02 0.31 -0.55 -5.00 118.33 122.38 3cxc n VAL 119 Ca 0.01 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3cxc n VAL 119 Cb 0.47 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 3cxc n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cxc n GLY 120 N 1.34 -1.98 3.04 2.92 0.00 -1.18 -4.97 105.19 104.36 3cxc n GLY 120 Ca 0.04 -1.17 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 3cxc n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cxc s GLU 121 N -1.77 1.01 -0.40 1.61 2.02 -1.26 0.43 118.70 120.34 3cxc s GLU 121 Ca 0.00 -0.38 -0.23 0.00 0.02 0.00 0.00 54.97 54.38 3cxc s GLU 121 Cb 0.00 -0.95 0.02 0.00 0.10 0.00 0.00 34.13 33.29 3cxc s GLU 121 CO 0.00 0.19 0.76 -1.14 0.02 0.00 0.00 175.26 175.09 3cxc s GLN 122 N -0.06 3.57 0.13 1.61 0.74 0.15 -4.88 119.66 120.93 3cxc s GLN 122 Ca 0.01 0.06 -0.30 0.00 0.05 0.00 0.00 55.36 55.18 3cxc s GLN 122 Cb -0.07 -3.87 -0.07 0.00 1.10 0.00 0.00 33.01 30.10 3cxc s GLN 122 CO 0.00 -0.96 1.24 -0.65 -0.55 0.00 0.00 175.29 174.37 3cxc s GLN 123 N 3.12 4.44 0.19 1.67 -0.21 -1.26 -1.75 119.66 125.86 3cxc s GLN 123 Ca 0.29 1.89 0.04 0.00 0.02 0.00 0.00 55.36 57.60 3cxc s GLN 123 Cb -0.13 -3.27 -0.05 0.00 1.00 0.00 0.00 33.01 30.56 3cxc s GLN 123 CO 0.19 -0.21 -0.05 0.20 -2.12 0.00 0.00 175.29 173.30 3cxc s GLY 124 N 0.60 1.32 -0.05 3.09 0.00 -0.90 -4.96 107.32 106.42 3cxc s GLY 124 Ca 0.57 -1.63 -0.00 0.00 0.00 0.00 0.00 44.72 43.65 3cxc s GLY 124 CO 0.33 -1.63 -0.01 -1.60 0.00 0.00 0.00 173.10 170.19 3cxc s ARG 125 N -3.81 0.59 -0.23 2.90 6.06 -1.26 -1.10 118.95 122.10 3cxc s ARG 125 Ca 0.23 0.05 -0.06 0.00 -2.50 0.00 0.00 55.73 53.45 3cxc s ARG 125 Cb 0.04 -0.82 -0.02 0.00 0.06 0.00 0.00 34.95 34.20 3cxc s ARG 125 CO 0.05 -0.21 0.04 0.21 -2.50 0.00 0.00 175.30 172.88 3cxc s LYS 126 N 1.50 3.60 0.45 5.12 2.47 0.82 -4.87 119.74 128.84 3cxc s LYS 126 Ca -0.02 -0.51 -0.25 0.00 -1.56 0.00 0.00 55.97 53.63 3cxc s LYS 126 Cb -0.13 -3.22 -0.08 0.00 -1.46 0.00 0.00 37.83 32.94 3cxc s LYS 126 CO -0.03 -0.14 1.38 -2.14 0.16 0.00 0.00 175.35 174.58 3cxc s PRO 127 N 1.44 3.67 0.38 4.03 0.02 -1.26 -1.48 135.00 141.80 3cxc s PRO 127 Ca 0.05 2.31 0.04 0.00 0.02 0.00 0.00 61.00 63.42 3cxc s PRO 127 Cb -0.15 -2.61 -0.04 0.00 0.02 0.00 0.00 34.50 31.72 3cxc s PRO 127 CO 0.02 -0.79 0.10 1.03 -0.33 0.00 0.00 177.00 177.03 3cxc s ARG 128 N -2.48 1.82 0.84 5.54 1.81 0.93 -4.88 118.95 122.53 3cxc s ARG 128 Ca 0.62 -2.08 -0.11 0.00 -1.72 0.00 0.00 55.73 52.44 3cxc s ARG 128 Cb -0.41 -0.70 0.10 0.00 -0.45 0.00 0.00 34.95 33.48 3cxc s ARG 128 CO 0.53 -0.38 1.10 0.00 -0.68 0.00 0.00 175.30 175.87 3cxc s ALA 129 N -3.26 1.88 -1.00 2.13 0.00 -1.26 -3.81 121.76 116.43 3cxc s ALA 129 Ca 0.28 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.54 3cxc s ALA 129 Cb 0.05 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3cxc s ALA 129 CO 0.14 -2.17 0.00 -1.33 0.00 0.00 0.00 175.76 172.40 3cxc n MET 130 N -3.80 -0.66 -1.03 0.00 2.81 -1.26 -3.39 117.12 109.79 3cxc n MET 130 Ca 0.09 0.83 -0.01 0.00 -1.81 0.00 0.00 57.70 56.80 3cxc n MET 130 Cb 0.53 -4.73 -0.00 0.00 -0.71 0.00 0.00 33.22 28.31 3cxc n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3cxc n GLY 131 N -1.81 0.49 3.67 3.03 0.00 -1.25 -5.04 105.19 104.29 3cxc n GLY 131 Ca -0.09 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 3cxc n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cxc s ARG 132 N -0.94 2.46 0.23 1.61 3.52 -1.22 -5.00 118.95 119.61 3cxc s ARG 132 Ca 0.00 -0.98 0.09 0.00 -0.13 0.00 0.00 55.73 54.71 3cxc s ARG 132 Cb 0.00 -2.44 -0.05 0.00 -1.56 0.00 0.00 34.95 30.90 3cxc s ARG 132 CO 0.00 0.49 -0.17 0.00 -0.81 0.00 0.00 175.30 174.82 3cxc s ALA 133 N -1.52 2.27 0.21 6.12 0.00 -1.26 -0.05 121.76 127.53 3cxc s ALA 133 Ca 0.26 -1.73 -0.06 0.00 0.00 0.00 0.00 51.96 50.43 3cxc s ALA 133 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 3cxc s ALA 133 CO 0.18 0.15 0.28 -1.54 0.00 0.00 0.00 175.76 174.83 3cxc s SER 134 N -3.36 0.05 0.40 0.00 1.04 -0.55 -4.91 113.70 106.36 3cxc s SER 134 Ca 0.25 -1.15 -0.27 0.00 0.48 0.00 0.00 55.95 55.26 3cxc s SER 134 Cb -0.02 0.46 -0.10 0.00 0.10 0.00 0.00 66.02 66.45 3cxc s SER 134 CO 0.10 -0.96 1.45 0.00 0.98 0.00 0.00 173.24 174.81 3cxc n ALA 135 N -0.30 2.18 -3.07 5.32 0.00 -1.26 -0.12 120.51 123.25 3cxc n ALA 135 Ca -0.01 0.31 -0.16 0.00 0.00 0.00 0.00 53.44 53.59 3cxc n ALA 135 Cb 0.64 -2.40 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 3cxc n ALA 135 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3cxc n TRP 136 N 0.22 -2.33 -3.88 0.00 -0.00 -0.26 -4.61 117.44 106.57 3cxc n TRP 136 Ca 0.03 -2.37 -0.22 0.00 -0.00 0.00 0.00 57.50 54.94 3cxc n TRP 136 Cb 0.39 0.85 -0.04 0.00 -0.00 0.00 0.00 31.31 32.51 3cxc n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3cxc s ASN 137 N 0.31 5.14 -0.14 5.87 0.01 -1.26 -2.11 114.94 122.75 3cxc s ASN 137 Ca 0.32 -0.57 0.02 0.00 -0.71 0.00 0.00 52.86 51.92 3cxc s ASN 137 Cb 0.03 -0.91 0.01 0.00 0.41 0.00 0.00 41.25 40.79 3cxc s ASN 137 CO -0.13 -0.34 -0.21 -0.44 -1.51 0.00 0.00 177.10 174.47 3cxc s SER 138 N -3.96 3.16 0.67 -1.22 0.01 -0.72 -4.93 113.70 106.71 3cxc s SER 138 Ca 0.40 -0.59 -0.14 0.00 1.31 0.00 0.00 55.95 56.92 3cxc s SER 138 Cb -0.05 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.73 3cxc s SER 138 CO 0.26 0.08 1.10 -2.84 0.41 0.00 0.00 173.24 172.25 3cxc s PRO 139 N 0.81 2.78 -0.14 12.44 0.02 -1.26 0.34 135.00 149.98 3cxc s PRO 139 Ca -0.07 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.31 3cxc s PRO 139 Cb -0.16 -1.95 0.02 0.00 0.02 0.00 0.00 34.50 32.44 3cxc s PRO 139 CO -0.02 -1.26 -0.13 -0.65 -0.33 0.00 0.00 177.00 174.60 3cxc s GLN 140 N -4.19 2.18 0.02 5.54 -0.21 0.17 -3.50 119.66 119.67 3cxc s GLN 140 Ca 0.66 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.55 3cxc s GLN 140 Cb -0.20 -2.00 -0.04 0.00 1.00 0.00 0.00 33.01 31.78 3cxc s GLN 140 CO 0.43 -0.21 -0.01 0.08 -2.12 0.00 0.00 175.29 173.45 3cxc s VAL 141 N 1.43 4.02 -0.01 1.09 1.01 0.27 -1.49 120.40 126.72 3cxc s VAL 141 Ca 0.03 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.35 3cxc s VAL 141 Cb -0.13 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 3cxc s VAL 141 CO -0.09 0.31 -0.23 -1.81 0.00 0.00 0.00 175.10 173.29 3cxc s ASP 142 N -1.72 2.66 -0.06 3.32 1.11 -0.32 0.19 116.67 121.86 3cxc s ASP 142 Ca 0.21 -0.43 -0.02 0.00 0.18 0.00 0.00 52.55 52.48 3cxc s ASP 142 Cb -0.11 -0.29 0.04 0.00 1.07 0.00 0.00 42.92 43.63 3cxc s ASP 142 CO 0.12 0.26 0.13 0.54 1.18 0.00 0.00 175.17 177.40 3cxc s VAL 143 N -0.57 -0.05 -0.05 -1.27 0.11 -0.81 -0.39 120.40 117.37 3cxc s VAL 143 Ca 0.09 0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 59.29 3cxc s VAL 143 Cb -0.09 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 3cxc s VAL 143 CO -0.00 0.07 0.09 -1.83 -3.33 0.00 0.00 175.10 170.10 3cxc s GLU 144 N 1.11 3.20 -0.03 1.54 -1.05 -0.81 -1.35 118.70 121.31 3cxc s GLU 144 Ca -0.09 -0.35 -0.02 0.00 -0.15 0.00 0.00 54.97 54.36 3cxc s GLU 144 Cb -0.11 -2.97 0.02 0.00 -0.44 0.00 0.00 34.13 30.63 3cxc s GLU 144 CO -0.05 0.70 0.08 -1.17 0.95 0.00 0.00 175.26 175.76 3cxc s LEU 145 N -1.41 1.36 -0.12 1.83 2.96 -0.38 -1.79 118.68 121.13 3cxc s LEU 145 Ca 0.20 0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 54.26 3cxc s LEU 145 Cb -0.12 0.20 0.03 0.00 0.50 0.00 0.00 46.19 46.80 3cxc s LEU 145 CO 0.10 -0.07 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.34 3cxc s ILE 146 N 0.51 1.09 -0.04 6.68 1.01 0.14 -1.75 121.20 128.84 3cxc s ILE 146 Ca -0.04 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 3cxc s ILE 146 Cb -0.06 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 3cxc s ILE 146 CO -0.02 0.36 0.32 -0.76 0.00 0.00 0.00 174.94 174.85 3cxc s LEU 147 N 1.68 4.44 0.01 2.97 1.43 0.31 -0.73 118.68 128.79 3cxc s LEU 147 Ca 0.05 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 3cxc s LEU 147 Cb -0.13 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 3cxc s LEU 147 CO -0.08 0.35 -0.10 -0.70 0.23 0.00 0.00 176.35 176.05 3cxc s GLU 148 N -1.02 0.73 0.34 1.70 2.12 -0.27 -0.41 118.70 121.89 3cxc s GLU 148 Ca 0.21 -0.43 -0.29 0.00 0.36 0.00 0.00 54.97 54.82 3cxc s GLU 148 Cb -0.15 -0.69 -0.11 0.00 0.26 0.00 0.00 34.13 33.44 3cxc s GLU 148 CO 0.10 0.18 1.37 -1.21 -0.54 0.00 0.00 175.26 175.16 3cxc s GLU 149 N -0.50 4.28 0.00 4.30 2.02 -1.06 -1.17 118.70 126.56 3cxc s GLU 149 Ca 0.02 2.33 0.00 0.00 0.02 0.00 0.00 54.97 57.34 3cxc s GLU 149 Cb -0.05 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.14 3cxc s GLU 149 CO 0.00 -0.30 0.42 -2.30 0.02 0.00 0.00 175.26 173.10