#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1veh n SER 2 N 0.00 0.00 0.09 1.61 2.88 -1.26 -5.02 113.62 111.93 1veh n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1veh n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1veh n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1veh n SER 3 N -0.74 -0.33 -0.18 -3.46 3.41 -1.26 -5.16 113.62 105.90 1veh n SER 3 Ca 0.00 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1veh n SER 3 Cb 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1veh n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1veh n GLY 4 N 1.23 0.07 2.96 5.00 0.00 -1.26 -5.12 105.19 108.07 1veh n GLY 4 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 46.02 45.07 1veh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1veh s SER 5 N 0.00 -0.63 -0.16 1.61 0.15 -1.26 -5.13 113.70 108.29 1veh s SER 5 Ca 0.00 -0.18 -0.29 0.00 0.70 0.00 0.00 55.95 56.18 1veh s SER 5 Cb 0.00 0.99 -0.03 0.00 -1.71 0.00 0.00 66.02 65.27 1veh s SER 5 CO 0.00 -0.08 1.53 -0.44 1.20 0.00 0.00 173.24 175.45 1veh s SER 6 N 2.27 6.62 0.00 5.45 0.01 -1.26 -4.76 113.70 122.04 1veh s SER 6 Ca 0.18 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.27 1veh s SER 6 Cb -0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1veh s SER 6 CO -0.17 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.07 1veh n GLY 7 N 4.22 2.85 4.02 3.44 0.00 -1.26 -5.11 105.19 113.35 1veh n GLY 7 Ca 0.17 -1.72 -0.18 0.00 0.00 0.00 0.00 46.02 44.28 1veh n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1veh s SER 8 N 0.00 5.39 -1.13 1.61 1.04 -1.26 -4.97 113.70 114.37 1veh s SER 8 Ca 0.00 -0.63 -0.22 0.00 0.48 0.00 0.00 55.95 55.58 1veh s SER 8 Cb 0.00 -0.20 -0.10 0.00 0.10 0.00 0.00 66.02 65.82 1veh s SER 8 CO 0.00 -1.04 1.93 -0.62 0.98 0.00 0.00 173.24 174.49 1veh n GLU 9 N -2.04 1.61 -2.89 4.02 1.02 -1.26 -4.40 120.64 116.71 1veh n GLU 9 Ca 0.12 -2.40 -0.02 0.00 -0.02 0.00 0.00 57.16 54.84 1veh n GLU 9 Cb 0.60 -3.62 -0.01 0.00 -0.02 0.00 0.00 31.44 28.39 1veh n GLU 9 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1veh n GLU 10 N 8.10 -2.52 -2.52 3.49 0.00 -1.26 -4.89 120.64 121.03 1veh n GLU 10 Ca 0.46 2.12 -0.37 0.00 0.00 0.00 0.00 57.16 59.37 1veh n GLU 10 Cb 0.46 -3.03 -0.04 0.00 0.00 0.00 0.00 31.44 28.83 1veh n GLU 10 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1veh s ASP 11 N -0.73 6.87 0.25 4.31 -4.77 -1.26 -5.05 116.67 116.29 1veh s ASP 11 Ca -0.09 2.10 0.01 0.00 -3.30 0.00 0.00 52.55 51.28 1veh s ASP 11 Cb 0.01 -2.60 0.01 0.00 -1.09 0.00 0.00 42.92 39.25 1veh s ASP 11 CO 0.39 -0.41 0.11 0.47 0.70 0.00 0.00 175.17 176.43 1veh n ASP 12 N 0.24 2.19 0.18 2.11 8.00 -1.26 -4.98 116.55 123.03 1veh n ASP 12 Ca 0.03 -1.96 0.05 0.00 0.71 0.00 0.00 54.79 53.63 1veh n ASP 12 Cb 0.48 0.06 0.22 0.00 -0.02 0.00 0.00 41.12 41.87 1veh n ASP 12 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1veh h GLU 13 N 0.00 0.00 -0.04 -1.24 5.08 -1.98 -1.66 114.58 114.74 1veh h GLU 13 Ca -0.18 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.08 1veh h GLU 13 Cb 0.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.85 1veh h GLU 13 CO 0.29 0.39 -0.38 -0.24 -1.00 0.00 0.00 179.01 178.07 1veh h VAL 14 N 0.00 1.45 0.57 3.13 3.04 -2.00 -3.01 116.25 119.44 1veh h VAL 14 Ca -0.00 -1.86 -0.03 0.00 -1.01 0.00 0.00 66.70 63.80 1veh h VAL 14 Cb 1.09 2.48 0.01 0.00 -2.01 0.00 0.00 31.29 32.86 1veh h VAL 14 CO 0.05 0.53 -0.28 0.58 -1.01 0.00 0.00 177.57 177.45 1veh h VAL 15 N -0.21 0.31 -1.47 1.51 2.07 -1.95 -2.15 116.25 114.36 1veh h VAL 15 Ca -0.04 -0.32 0.47 0.00 0.82 0.00 0.00 66.70 67.64 1veh h VAL 15 Cb 1.06 0.41 -0.12 0.00 -1.52 0.00 0.00 31.29 31.13 1veh h VAL 15 CO 0.08 0.04 0.98 0.00 0.02 0.00 0.00 177.57 178.68 1veh h ALA 16 N -0.74 3.01 0.53 1.67 0.00 -1.41 0.48 119.26 122.79 1veh h ALA 16 Ca -0.08 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1veh h ALA 16 Cb 0.65 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1veh h ALA 16 CO 0.13 -1.64 -0.26 1.98 0.00 0.00 0.00 179.25 179.46 1veh h MET 17 N 0.04 -0.69 -0.52 0.00 4.05 -1.31 -2.69 114.93 113.81 1veh h MET 17 Ca 0.86 0.05 0.10 0.00 -0.28 0.00 0.00 59.70 60.42 1veh h MET 17 Cb 2.89 0.16 -0.08 0.00 -0.80 0.00 0.00 31.60 33.77 1veh h MET 17 CO -0.34 -0.45 0.04 0.82 0.23 0.00 0.00 176.91 177.21 1veh h ILE 18 N -1.18 0.63 -0.59 1.77 2.04 0.24 -0.61 117.51 119.81 1veh h ILE 18 Ca -0.07 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 65.84 1veh h ILE 18 Cb 0.56 0.45 -0.12 0.00 -0.74 0.00 0.00 36.82 36.97 1veh h ILE 18 CO 0.12 0.03 -0.27 0.11 0.00 0.00 0.00 178.15 178.14 1veh h LYS 19 N 0.16 -0.11 0.08 2.37 1.57 -0.32 0.61 116.57 120.93 1veh h LYS 19 Ca 0.27 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1veh h LYS 19 Cb 0.39 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1veh h LYS 19 CO -0.40 -0.08 -0.25 0.93 -0.57 0.00 0.00 179.45 179.09 1veh h GLU 20 N -0.12 -0.36 -0.10 3.15 3.07 -0.78 1.02 114.58 120.47 1veh h GLU 20 Ca 0.25 0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.17 1veh h GLU 20 Cb 0.53 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1veh h GLU 20 CO -0.66 -0.24 0.41 -0.07 -1.40 0.00 0.00 179.01 177.05 1veh h LEU 21 N -0.37 0.00 0.00 1.33 3.38 -0.73 2.57 115.31 121.48 1veh h LEU 21 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 1veh h LEU 21 Cb 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1veh h LEU 21 CO -0.12 0.00 -1.26 -0.07 0.09 0.00 0.00 178.44 177.08 1veh h LEU 22 N 0.00 0.00 0.08 1.67 -0.00 0.35 -3.34 115.31 114.07 1veh h LEU 22 Ca 0.05 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.60 1veh h LEU 22 Cb 0.88 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.51 1veh h LEU 22 CO -0.00 0.99 -1.85 0.44 -0.00 0.00 0.00 178.44 178.02 1veh h ASP 23 N 0.00 0.26 0.00 -0.43 3.32 1.01 0.68 116.42 121.25 1veh h ASP 23 Ca -0.11 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.37 1veh h ASP 23 Cb 1.86 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.32 1veh h ASP 23 CO 0.11 1.50 0.00 0.35 -1.72 0.00 0.00 179.24 179.48 1veh n THR 24 N -3.31 0.00 -2.72 0.35 -2.24 0.74 -4.31 114.28 102.79 1veh n THR 24 Ca -0.25 0.47 -0.04 0.00 -2.27 0.00 0.00 64.05 61.96 1veh n THR 24 Cb 1.05 -0.91 0.04 0.00 -2.10 0.00 0.00 70.33 68.41 1veh n THR 24 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1veh n ARG 25 N -0.06 1.89 -0.01 -0.78 1.74 -1.26 -4.73 116.66 113.45 1veh n ARG 25 Ca 0.00 -3.57 -0.05 0.00 -0.77 0.00 0.00 57.85 53.46 1veh n ARG 25 Cb 0.00 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 29.78 1veh n ARG 25 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1veh n ILE 26 N -0.54 1.01 -0.03 0.55 5.41 -1.23 -4.25 119.36 120.27 1veh n ILE 26 Ca 0.12 0.17 -0.14 0.00 1.00 0.00 0.00 62.75 63.90 1veh n ILE 26 Cb 0.82 -1.74 -0.10 0.00 -0.71 0.00 0.00 39.64 37.90 1veh n ILE 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1veh h ARG 27 N -0.30 0.13 0.00 0.38 2.43 0.15 -0.86 114.38 116.32 1veh h ARG 27 Ca -0.08 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1veh h ARG 27 Cb 0.62 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1veh h ARG 27 CO -0.05 0.74 0.00 -0.35 -1.51 0.00 0.00 179.97 178.81 1veh n PRO 28 N -4.64 0.45 -0.11 0.20 -0.04 -1.26 -3.16 135.00 126.43 1veh n PRO 28 Ca -0.09 0.05 -0.24 0.00 -0.04 0.00 0.00 63.50 63.18 1veh n PRO 28 Cb 0.39 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 1veh n PRO 28 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1veh n THR 29 N -1.20 1.55 -0.01 0.52 -1.04 -1.16 -4.21 114.28 108.73 1veh n THR 29 Ca 0.13 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.05 61.65 1veh n THR 29 Cb 0.15 -1.79 -0.04 0.00 -1.82 0.00 0.00 70.33 66.83 1veh n THR 29 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1veh h VAL 30 N -0.64 0.29 -0.88 12.58 2.07 -1.11 -1.18 116.25 127.38 1veh h VAL 30 Ca -0.57 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.12 1veh h VAL 30 Cb 1.67 0.29 -0.16 0.00 -1.52 0.00 0.00 31.29 31.57 1veh h VAL 30 CO -0.24 0.00 -0.27 1.56 0.02 0.00 0.00 177.57 178.63 1veh h GLN 31 N -0.37 -0.02 -1.00 1.57 7.50 -1.25 1.30 115.11 122.83 1veh h GLN 31 Ca 0.10 0.00 0.25 0.00 0.50 0.00 0.00 58.65 59.50 1veh h GLN 31 Cb 0.54 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 27.95 1veh h GLN 31 CO -0.37 -0.01 0.59 1.49 -1.50 0.00 0.00 178.83 179.03 1veh h GLU 32 N -0.02 0.55 0.06 1.46 4.81 -1.39 -2.63 114.58 117.42 1veh h GLU 32 Ca 0.39 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1veh h GLU 32 Cb 0.63 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1veh h GLU 32 CO -0.91 0.37 -0.03 0.22 -0.73 0.00 0.00 179.01 177.93 1veh h ASP 33 N 0.57 -0.07 0.00 1.04 3.58 0.17 -3.49 116.42 118.22 1veh h ASP 33 Ca 0.65 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.10 1veh h ASP 33 Cb 1.25 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1veh h ASP 33 CO -0.48 0.15 0.00 0.61 -2.88 0.00 0.00 179.24 176.64 1veh n GLY 34 N 1.48 -1.09 0.00 -0.78 0.00 0.13 -4.96 105.19 99.97 1veh n GLY 34 Ca -0.01 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1veh n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1veh n GLY 35 N 0.00 2.97 2.92 -0.02 0.00 -1.23 -3.71 105.19 106.12 1veh n GLY 35 Ca 0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 1veh n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1veh s ASP 36 N 0.00 3.73 -0.23 1.61 1.01 -1.26 -1.54 116.67 120.00 1veh s ASP 36 Ca 0.00 -1.13 -0.21 0.00 0.71 0.00 0.00 52.55 51.92 1veh s ASP 36 Cb 0.00 -1.12 -0.02 0.00 1.01 0.00 0.00 42.92 42.79 1veh s ASP 36 CO 0.00 -0.24 0.65 -0.69 0.21 0.00 0.00 175.17 175.10 1veh s VAL 37 N 1.44 4.98 -0.24 -1.27 1.01 -1.26 -3.57 120.40 121.50 1veh s VAL 37 Ca -0.05 1.21 -0.01 0.00 0.00 0.00 0.00 61.98 63.13 1veh s VAL 37 Cb -0.19 -3.96 0.07 0.00 0.00 0.00 0.00 36.38 32.31 1veh s VAL 37 CO -0.06 0.05 0.02 -0.63 0.00 0.00 0.00 175.10 174.48 1veh s ILE 38 N 2.27 1.04 -0.55 2.22 1.09 -1.26 -4.77 121.20 121.24 1veh s ILE 38 Ca 0.28 -1.05 -0.28 0.00 -1.10 0.00 0.00 60.65 58.50 1veh s ILE 38 Cb -0.16 -1.52 0.00 0.00 -1.06 0.00 0.00 42.46 39.73 1veh s ILE 38 CO 0.09 -0.29 1.56 -0.47 -0.10 0.00 0.00 174.94 175.74 1veh s TYR 39 N 1.60 2.07 -0.43 3.97 5.04 -1.26 -1.30 117.35 127.05 1veh s TYR 39 Ca 0.00 0.54 0.02 0.00 -2.44 0.00 0.00 57.07 55.19 1veh s TYR 39 Cb -0.18 -4.30 0.13 0.00 0.35 0.00 0.00 41.96 37.96 1veh s TYR 39 CO -0.11 -2.19 0.21 1.03 -1.34 0.00 0.00 175.55 173.15 1veh s ARG 40 N 5.90 1.35 0.00 4.97 1.81 0.55 -4.97 118.95 128.56 1veh s ARG 40 Ca 0.59 -1.98 0.00 0.00 -1.72 0.00 0.00 55.73 52.62 1veh s ARG 40 Cb -0.13 -2.54 0.00 0.00 -0.45 0.00 0.00 34.95 31.83 1veh s ARG 40 CO 0.25 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.17 1veh n GLY 41 N 3.71 2.61 2.75 -3.53 0.00 -1.26 -4.47 105.19 105.01 1veh n GLY 41 Ca 0.06 -1.50 -0.19 0.00 0.00 0.00 0.00 46.02 44.39 1veh n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1veh s PHE 42 N -0.72 -0.11 0.02 1.61 2.19 -1.26 0.98 117.98 120.69 1veh s PHE 42 Ca 0.00 0.29 -0.08 0.00 0.33 0.00 0.00 56.93 57.46 1veh s PHE 42 Cb 0.00 -0.39 0.00 0.00 -1.31 0.00 0.00 43.02 41.32 1veh s PHE 42 CO 0.00 -0.40 0.17 -2.00 1.83 0.00 0.00 175.22 174.81 1veh s GLU 43 N 2.26 0.58 -0.28 10.12 -6.30 -1.14 -4.83 118.70 119.10 1veh s GLU 43 Ca 0.04 -0.50 0.00 0.00 -2.50 0.00 0.00 54.97 52.01 1veh s GLU 43 Cb -0.14 0.24 0.00 0.00 0.00 0.00 0.00 34.13 34.23 1veh s GLU 43 CO -0.08 -0.15 0.00 -0.25 0.02 0.00 0.00 175.26 174.80 1veh n ASP 44 N 1.11 -1.50 0.00 -1.70 9.92 -1.26 0.58 116.55 123.71 1veh n ASP 44 Ca -0.21 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1veh n ASP 44 Cb 0.57 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 1veh n ASP 44 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1veh n GLY 45 N -0.44 1.62 3.52 0.44 0.00 -1.26 -4.46 105.19 104.60 1veh n GLY 45 Ca -0.04 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1veh n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1veh n ILE 46 N 0.00 -0.04 -2.45 -0.61 -0.00 0.20 -2.92 119.36 113.55 1veh n ILE 46 Ca 0.00 -0.46 -0.43 0.00 -0.00 0.00 0.00 62.75 61.87 1veh n ILE 46 Cb 0.00 -1.83 -0.02 0.00 -0.00 0.00 0.00 39.64 37.79 1veh n ILE 46 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1veh s VAL 47 N 10.71 4.27 -0.36 1.39 1.01 -0.77 -2.88 120.40 133.76 1veh s VAL 47 Ca 1.14 1.49 -0.29 0.00 0.00 0.00 0.00 61.98 64.32 1veh s VAL 47 Cb -0.64 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 31.64 1veh s VAL 47 CO 0.36 -0.28 1.61 -0.13 0.00 0.00 0.00 175.10 176.66 1veh s ARG 48 N 3.74 3.47 0.00 2.72 0.52 0.28 -3.35 118.95 126.33 1veh s ARG 48 Ca 0.54 1.21 0.07 0.00 -0.52 0.00 0.00 55.73 57.04 1veh s ARG 48 Cb -0.19 -4.11 -0.02 0.00 0.52 0.00 0.00 34.95 31.15 1veh s ARG 48 CO 0.17 -1.69 -0.23 -0.51 0.02 0.00 0.00 175.30 173.06 1veh s LEU 49 N 6.12 2.09 -0.89 2.53 1.43 -0.78 0.20 118.68 129.38 1veh s LEU 49 Ca 0.71 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1veh s LEU 49 Cb -0.18 -1.15 0.28 0.00 0.03 0.00 0.00 46.19 45.17 1veh s LEU 49 CO 0.33 0.26 1.18 1.17 0.23 0.00 0.00 176.35 179.51 1veh n LYS 50 N 2.28 3.68 -3.92 1.70 4.81 -0.42 0.13 118.16 126.41 1veh n LYS 50 Ca -0.16 -4.61 -0.22 0.00 -0.87 0.00 0.00 58.31 52.45 1veh n LYS 50 Cb 0.52 -2.40 -0.02 0.00 0.02 0.00 0.00 35.03 33.15 1veh n LYS 50 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1veh s LEU 51 N -2.70 4.30 -0.28 3.14 0.05 -1.23 -3.97 118.68 117.99 1veh s LEU 51 Ca 0.35 0.12 -0.10 0.00 0.05 0.00 0.00 54.13 54.55 1veh s LEU 51 Cb 0.09 -2.91 0.11 0.00 -2.05 0.00 0.00 46.19 41.44 1veh s LEU 51 CO 0.06 -0.06 0.61 -1.58 -0.55 0.00 0.00 176.35 174.82 1veh s GLN 52 N -3.87 0.55 -0.02 1.48 0.74 -1.26 -4.88 119.66 112.41 1veh s GLN 52 Ca 0.35 1.34 0.00 0.00 0.05 0.00 0.00 55.36 57.10 1veh s GLN 52 Cb -0.09 0.66 0.02 0.00 1.10 0.00 0.00 33.01 34.70 1veh s GLN 52 CO 0.29 -0.20 0.01 0.20 -0.55 0.00 0.00 175.29 175.05 1veh s GLY 53 N 2.64 0.11 -0.24 2.59 0.00 -1.24 -3.54 107.32 107.63 1veh s GLY 53 Ca -0.06 0.19 -0.10 0.00 0.00 0.00 0.00 44.72 44.74 1veh s GLY 53 CO -0.18 0.47 -0.13 1.44 0.00 0.00 0.00 173.10 174.70 1veh n SER 54 N 3.85 1.97 -4.55 1.64 7.64 -1.26 -4.80 113.62 118.11 1veh n SER 54 Ca -0.23 0.21 -0.37 0.00 1.01 0.00 0.00 58.87 59.48 1veh n SER 54 Cb 0.53 -0.74 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 1veh n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1veh h THR 56 N 7.27 0.57 -6.98 0.00 1.03 -1.99 -3.47 112.91 109.34 1veh h THR 56 Ca -0.25 -1.34 -0.61 0.00 -0.01 0.00 0.00 66.41 64.21 1veh h THR 56 Cb 1.21 1.92 -0.07 0.00 -1.07 0.00 0.00 68.15 70.14 1veh h THR 56 CO 1.19 0.26 -1.00 -0.24 -0.01 0.00 0.00 175.52 175.72 1veh n SER 57 N -3.33 -2.74 -1.10 0.00 2.88 -1.26 -4.36 113.62 103.71 1veh n SER 57 Ca 0.01 -1.30 0.00 0.00 -1.33 0.00 0.00 58.87 56.25 1veh n SER 57 Cb 0.50 -1.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 1veh n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1veh h PRO 59 N 0.36 -0.02 -0.99 0.00 0.13 -2.00 -3.10 132.00 126.38 1veh h PRO 59 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.29 1veh h PRO 59 Cb 0.52 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.49 1veh h PRO 59 CO 0.00 0.70 -0.38 0.43 -0.23 0.00 0.00 178.00 178.52 1veh n SER 60 N -4.74 -0.63 -0.23 1.44 7.64 -1.26 0.15 113.62 115.98 1veh n SER 60 Ca -0.09 1.73 -0.02 0.00 1.01 0.00 0.00 58.87 61.50 1veh n SER 60 Cb 0.36 -0.40 0.10 0.00 -1.01 0.00 0.00 64.21 63.25 1veh n SER 60 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1veh h SER 61 N 0.00 0.55 0.56 6.43 0.87 -1.77 0.91 113.55 121.10 1veh h SER 61 Ca 0.35 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.91 1veh h SER 61 Cb 0.60 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1veh h SER 61 CO -0.99 0.35 -0.27 0.40 -0.53 0.00 0.00 176.83 175.80 1veh h ILE 62 N 0.68 0.40 0.00 2.23 2.04 0.14 1.56 117.51 124.57 1veh h ILE 62 Ca 0.30 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1veh h ILE 62 Cb 0.19 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1veh h ILE 62 CO -0.18 0.03 0.00 -0.38 0.00 0.00 0.00 178.15 177.62 1veh n ILE 63 N -5.36 1.32 -0.11 -0.67 5.41 0.38 0.18 119.36 120.51 1veh n ILE 63 Ca -0.12 0.48 -0.22 0.00 1.00 0.00 0.00 62.75 63.89 1veh n ILE 63 Cb 0.33 -1.42 -0.10 0.00 -0.71 0.00 0.00 39.64 37.74 1veh n ILE 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1veh n THR 64 N -1.86 1.52 -0.06 1.39 -1.04 0.31 -4.04 114.28 110.51 1veh n THR 64 Ca 0.01 -0.07 -0.05 0.00 -2.04 0.00 0.00 64.05 61.89 1veh n THR 64 Cb 0.08 -2.05 -0.02 0.00 -1.82 0.00 0.00 70.33 66.53 1veh n THR 64 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1veh n LEU 65 N -4.41 1.46 -0.24 -4.42 4.77 0.52 -2.73 117.00 111.96 1veh n LEU 65 Ca -0.34 0.42 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 1veh n LEU 65 Cb 0.68 -0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1veh n LEU 65 CO 0.15 -0.41 0.49 0.50 -1.33 0.00 0.00 177.39 176.79 1veh h LYS 66 N -0.78 -0.00 -0.46 3.23 3.11 0.18 0.86 116.57 122.70 1veh h LYS 66 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1veh h LYS 66 Cb 0.57 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.78 1veh h LYS 66 CO 0.00 -0.00 0.20 1.03 -2.81 0.00 0.00 179.45 177.87 1veh h SER 67 N -0.00 0.62 -1.01 4.20 0.87 -1.02 -2.49 113.55 114.73 1veh h SER 67 Ca 0.09 -0.15 0.26 0.00 -1.23 0.00 0.00 61.79 60.76 1veh h SER 67 Cb 0.24 -0.16 -0.13 0.00 -0.44 0.00 0.00 62.40 61.91 1veh h SER 67 CO -0.54 0.60 0.59 1.23 -0.53 0.00 0.00 176.83 178.18 1veh h GLY 68 N 0.60 1.93 0.90 5.77 0.00 -0.53 -0.79 103.07 110.95 1veh h GLY 68 Ca 0.16 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1veh h GLY 68 CO -0.02 -0.29 -0.43 -2.22 0.00 0.00 0.00 176.54 173.59 1veh h ILE 69 N 0.53 0.01 -1.34 2.60 2.04 0.11 -1.80 117.51 119.66 1veh h ILE 69 Ca 0.66 -0.12 0.46 0.00 1.00 0.00 0.00 64.86 66.86 1veh h ILE 69 Cb 1.32 0.02 -0.13 0.00 -0.74 0.00 0.00 36.82 37.28 1veh h ILE 69 CO -0.50 0.00 0.86 1.67 0.00 0.00 0.00 178.15 180.18 1veh n GLN 70 N -5.57 -0.03 0.03 2.37 7.27 -0.35 0.18 117.38 121.27 1veh n GLN 70 Ca -0.15 1.21 -0.13 0.00 0.07 0.00 0.00 57.00 58.01 1veh n GLN 70 Cb 0.47 -2.39 -0.09 0.00 2.41 0.00 0.00 30.24 30.64 1veh n GLN 70 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 1veh h ASN 71 N 0.00 -0.10 -0.84 1.69 -1.24 -0.98 -3.04 115.58 111.06 1veh h ASN 71 Ca 0.85 -0.42 0.18 0.00 0.71 0.00 0.00 56.30 57.62 1veh h ASN 71 Cb 2.75 0.03 -0.16 0.00 0.73 0.00 0.00 38.32 41.67 1veh h ASN 71 CO -0.45 0.40 -0.16 -0.03 -1.29 0.00 0.00 177.43 175.90 1veh h MET 72 N -0.63 0.01 0.13 6.67 4.05 0.27 0.92 114.93 126.35 1veh h MET 72 Ca -0.01 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1veh h MET 72 Cb 0.51 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.30 1veh h MET 72 CO 0.02 0.01 -0.18 1.25 0.23 0.00 0.00 176.91 178.24 1veh h LEU 73 N 0.02 -0.52 -0.49 3.39 5.85 -1.36 0.83 115.31 123.03 1veh h LEU 73 Ca 0.42 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.29 1veh h LEU 73 Cb 0.68 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.79 1veh h LEU 73 CO -0.84 -0.22 -0.15 1.56 -0.34 0.00 0.00 178.44 178.45 1veh h GLN 74 N -0.32 -0.03 -0.51 1.25 7.50 -1.13 1.48 115.11 123.35 1veh h GLN 74 Ca -0.02 0.00 0.09 0.00 0.50 0.00 0.00 58.65 59.22 1veh h GLN 74 Cb 0.29 0.01 -0.10 0.00 0.05 0.00 0.00 27.48 27.73 1veh h GLN 74 CO -0.05 -0.02 -0.39 0.35 -1.50 0.00 0.00 178.83 177.22 1veh h PHE 75 N -0.03 -1.10 0.21 2.96 3.04 0.11 -2.79 116.94 119.34 1veh h PHE 75 Ca 0.24 0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.25 1veh h PHE 75 Cb 0.39 0.56 0.00 0.00 2.56 0.00 0.00 35.95 39.46 1veh h PHE 75 CO -0.44 -0.41 -0.10 1.88 -2.02 0.00 0.00 178.31 177.22 1veh h TYR 76 N -0.24 -0.27 -3.48 0.41 0.05 0.22 -3.41 116.97 110.26 1veh h TYR 76 Ca 0.18 -0.01 -0.72 0.00 0.05 0.00 0.00 58.73 58.24 1veh h TYR 76 Cb 0.56 0.09 -0.21 0.00 1.01 0.00 0.00 36.73 38.18 1veh h TYR 76 CO -0.64 0.12 -0.38 0.42 -1.05 0.00 0.00 178.16 176.63 1veh s ILE 77 N -3.50 5.22 -1.80 -2.88 -1.09 0.50 -4.91 121.20 112.75 1veh s ILE 77 Ca -0.12 -0.66 0.24 0.00 -2.23 0.00 0.00 60.65 57.87 1veh s ILE 77 Cb 0.01 -3.98 0.58 0.00 -1.58 0.00 0.00 42.46 37.49 1veh s ILE 77 CO 0.44 -0.37 1.78 -0.81 -1.23 0.00 0.00 174.94 174.75 1veh n PRO 78 N 5.25 0.60 0.02 2.79 -0.04 -1.16 -3.70 135.00 138.76 1veh n PRO 78 Ca -0.11 0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.37 1veh n PRO 78 Cb 0.47 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1veh n PRO 78 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1veh h GLU 79 N 0.00 -0.05 -6.54 0.54 4.39 -1.91 -3.46 114.58 107.55 1veh h GLU 79 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 1veh h GLU 79 Cb 0.08 0.01 0.21 0.00 -0.10 0.00 0.00 28.75 28.95 1veh h GLU 79 CO 0.00 -0.04 -0.78 1.55 -1.16 0.00 0.00 179.01 178.58 1veh n VAL 80 N -2.40 0.67 0.00 3.13 3.14 -1.24 -4.49 118.33 117.14 1veh n VAL 80 Ca -0.01 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 1veh n VAL 80 Cb 0.02 -0.51 0.00 0.00 -1.06 0.00 0.00 33.84 32.29 1veh n VAL 80 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1veh n GLU 81 N -0.36 0.00 -2.86 1.45 1.02 -1.15 -4.77 120.64 113.98 1veh n GLU 81 Ca 0.06 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.13 1veh n GLU 81 Cb 0.52 -0.54 -0.03 0.00 -0.02 0.00 0.00 31.44 31.37 1veh n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1veh n GLY 82 N 2.64 3.09 3.27 0.62 0.00 -1.26 -4.92 105.19 108.63 1veh n GLY 82 Ca 0.00 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 1veh n GLY 82 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1veh s VAL 83 N -2.61 1.31 0.03 1.61 -7.23 -1.26 -1.84 120.40 110.40 1veh s VAL 83 Ca 0.16 -2.10 -0.17 0.00 -1.81 0.00 0.00 61.98 58.07 1veh s VAL 83 Cb 0.00 -1.89 0.03 0.00 0.56 0.00 0.00 36.38 35.08 1veh s VAL 83 CO 0.11 -0.71 0.37 -1.83 -0.31 0.00 0.00 175.10 172.73 1veh s GLU 84 N -3.72 0.84 -0.90 4.82 -1.05 -1.21 -4.92 118.70 112.57 1veh s GLU 84 Ca 0.18 -0.35 -0.13 0.00 -0.15 0.00 0.00 54.97 54.52 1veh s GLU 84 Cb 0.02 0.37 0.23 0.00 -0.44 0.00 0.00 34.13 34.31 1veh s GLU 84 CO 0.02 -0.27 0.87 -1.14 0.95 0.00 0.00 175.26 175.69 1veh s GLN 85 N -2.22 3.74 0.27 -4.83 -0.44 -1.23 -1.87 119.66 113.08 1veh s GLN 85 Ca -0.07 -2.58 -0.29 0.00 -2.50 0.00 0.00 55.36 49.91 1veh s GLN 85 Cb -0.02 -4.49 -0.10 0.00 -1.64 0.00 0.00 33.01 26.76 1veh s GLN 85 CO -0.01 -1.32 1.30 0.14 0.50 0.00 0.00 175.29 175.91 1veh s VAL 86 N 0.03 2.97 -0.21 1.34 -7.23 0.34 -4.31 120.40 113.33 1veh s VAL 86 Ca 0.22 0.88 -0.07 0.00 -1.81 0.00 0.00 61.98 61.20 1veh s VAL 86 Cb -0.10 -3.56 0.03 0.00 0.56 0.00 0.00 36.38 33.31 1veh s VAL 86 CO -0.09 0.17 0.14 -0.24 -0.31 0.00 0.00 175.10 174.78 1veh n SER 87 N 1.68 -3.10 -3.61 4.85 2.88 -1.26 -4.19 113.62 110.86 1veh n SER 87 Ca 0.03 1.22 -0.09 0.00 -1.33 0.00 0.00 58.87 58.70 1veh n SER 87 Cb 0.42 -4.79 -0.02 0.00 -0.75 0.00 0.00 64.21 59.07 1veh n SER 87 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1veh s GLY 88 N -0.92 0.45 -0.13 0.46 0.00 -1.26 -4.88 107.32 101.04 1veh s GLY 88 Ca -0.16 -0.77 -0.29 0.00 0.00 0.00 0.00 44.72 43.49 1veh s GLY 88 CO 0.70 -0.45 1.26 2.56 0.00 0.00 0.00 173.10 177.17 1veh s PRO 89 N -3.47 4.26 0.00 2.90 0.04 -1.26 -4.95 135.00 132.52 1veh s PRO 89 Ca 0.19 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1veh s PRO 89 Cb -0.03 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1veh s PRO 89 CO 0.11 -0.64 0.00 0.45 0.04 0.00 0.00 177.00 176.95 1veh n SER 90 N 6.23 0.00 0.01 6.66 2.88 -1.26 -5.09 113.62 123.05 1veh n SER 90 Ca 0.13 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.65 1veh n SER 90 Cb 0.45 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.90 1veh n SER 90 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1veh n SER 91 N 0.00 1.32 -0.90 -3.46 3.41 -1.26 -5.23 113.62 107.50 1veh n SER 91 Ca 0.00 0.19 0.12 0.00 -0.26 0.00 0.00 58.87 58.92 1veh n SER 91 Cb 0.00 -0.44 0.15 0.00 -0.26 0.00 0.00 64.21 63.66 1veh n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49