#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1veh s SER 2 N 0.00 1.61 -0.14 1.61 0.15 -1.26 -4.94 113.70 110.73 1veh s SER 2 Ca 0.00 -0.16 -0.09 0.00 0.70 0.00 0.00 55.95 56.39 1veh s SER 2 Cb 0.00 -0.57 0.01 0.00 -1.71 0.00 0.00 66.02 63.75 1veh s SER 2 CO 0.00 -0.13 0.16 -1.54 1.20 0.00 0.00 173.24 172.93 1veh n SER 3 N 4.77 -6.52 -1.45 5.45 3.41 -1.26 -4.62 113.62 113.41 1veh n SER 3 Ca -0.13 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1veh n SER 3 Cb 0.50 -2.07 0.00 0.00 -0.26 0.00 0.00 64.21 62.38 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 0.86 -2.78 3.68 5.00 0.00 -1.26 -4.98 105.19 105.72 1veh n GLY 4 Ca -0.02 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 7.18 1.14 1.61 0.15 -1.26 -4.79 113.70 117.74 1veh s SER 5 Ca 0.00 1.57 -0.17 0.00 0.70 0.00 0.00 55.95 58.06 1veh s SER 5 Cb 0.00 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 61.93 1veh s SER 5 CO 0.00 -0.51 0.37 -1.54 1.20 0.00 0.00 173.24 172.77 1veh n SER 6 N 5.23 -2.17 -0.56 5.45 3.41 -1.26 -4.81 113.62 118.91 1veh n SER 6 Ca 0.10 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1veh n SER 6 Cb 0.48 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 1veh n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1veh n GLY 7 N 1.67 -3.39 0.07 5.00 0.00 -1.26 -4.98 105.19 102.29 1veh n GLY 7 Ca 0.01 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 1veh n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1veh n SER 8 N 0.00 1.82 -3.15 1.61 7.64 -1.26 -5.01 113.62 115.27 1veh n SER 8 Ca 0.00 0.60 0.06 0.00 1.01 0.00 0.00 58.87 60.54 1veh n SER 8 Cb 0.00 -0.86 -0.01 0.00 -1.01 0.00 0.00 64.21 62.33 1veh n SER 8 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1veh s GLU 9 N -2.31 0.11 0.60 1.43 8.01 -1.26 -5.14 118.70 120.14 1veh s GLU 9 Ca -0.17 0.15 0.00 0.00 0.01 0.00 0.00 54.97 54.97 1veh s GLU 9 Cb 0.02 0.08 0.00 0.00 -4.31 0.00 0.00 34.13 29.93 1veh s GLU 9 CO 0.26 -0.16 0.00 -1.91 0.01 0.00 0.00 175.26 173.46 1veh n GLU 10 N 5.30 -4.21 -1.33 1.61 2.13 -1.26 -4.89 120.64 117.99 1veh n GLU 10 Ca 0.00 3.26 -0.30 0.00 0.66 0.00 0.00 57.16 60.78 1veh n GLU 10 Cb 0.56 -4.09 0.10 0.00 0.27 0.00 0.00 31.44 28.29 1veh n GLU 10 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1veh s ASP 11 N -5.43 4.22 0.48 4.31 1.01 -1.26 -5.07 116.67 114.94 1veh s ASP 11 Ca 0.00 1.57 0.04 0.00 0.71 0.00 0.00 52.55 54.87 1veh s ASP 11 Cb 0.00 -2.29 0.04 0.00 1.01 0.00 0.00 42.92 41.68 1veh s ASP 11 CO 0.00 -2.18 0.32 0.47 0.21 0.00 0.00 175.17 173.99 1veh n ASP 12 N -3.59 2.65 0.21 0.27 9.92 -1.26 -5.00 116.55 119.75 1veh n ASP 12 Ca 0.08 -2.72 0.06 0.00 -0.53 0.00 0.00 54.79 51.68 1veh n ASP 12 Cb 0.55 0.01 0.47 0.00 -0.64 0.00 0.00 41.12 41.51 1veh n ASP 12 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1veh h GLU 13 N 0.00 0.00 -0.13 -1.24 4.39 -1.99 -2.32 114.58 113.29 1veh h GLU 13 Ca -0.32 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.30 1veh h GLU 13 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1veh h GLU 13 CO 0.50 0.28 -0.25 -0.24 -1.16 0.00 0.00 179.01 178.15 1veh h VAL 14 N 0.00 1.37 -0.18 3.13 3.04 -1.99 -2.92 116.25 118.70 1veh h VAL 14 Ca -0.00 -1.52 0.04 0.00 -1.01 0.00 0.00 66.70 64.20 1veh h VAL 14 Cb 0.59 2.05 -0.03 0.00 -2.01 0.00 0.00 31.29 31.89 1veh h VAL 14 CO 0.04 0.45 -0.04 0.58 -1.01 0.00 0.00 177.57 177.58 1veh h VAL 15 N -0.02 0.82 -0.85 1.51 2.07 -1.88 0.15 116.25 118.05 1veh h VAL 15 Ca 0.00 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.76 1veh h VAL 15 Cb 0.84 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1veh h VAL 15 CO 0.06 0.00 0.60 0.00 0.02 0.00 0.00 177.57 178.25 1veh h ALA 16 N 1.18 2.69 0.20 1.67 0.00 -1.43 0.36 119.26 123.92 1veh h ALA 16 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1veh h ALA 16 Cb 0.13 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1veh h ALA 16 CO -0.18 -0.94 -0.10 1.98 0.00 0.00 0.00 179.25 180.01 1veh h MET 17 N 0.07 -0.26 -0.55 0.00 4.05 -0.61 -3.25 114.93 114.39 1veh h MET 17 Ca 0.41 0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.96 1veh h MET 17 Cb 1.53 0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 32.30 1veh h MET 17 CO -0.04 -0.01 0.05 0.82 0.23 0.00 0.00 176.91 177.96 1veh h ILE 18 N -1.02 0.61 -1.00 1.77 2.04 0.02 -0.44 117.51 119.50 1veh h ILE 18 Ca -0.03 -0.06 0.18 0.00 1.00 0.00 0.00 64.86 65.95 1veh h ILE 18 Cb 0.37 0.43 -0.17 0.00 -0.74 0.00 0.00 36.82 36.70 1veh h ILE 18 CO 0.05 0.03 -0.32 0.29 0.00 0.00 0.00 178.15 178.20 1veh n LYS 19 N -5.19 -0.16 0.34 2.37 5.02 0.12 0.35 118.16 121.00 1veh n LYS 19 Ca 0.07 1.55 -0.17 0.00 -2.02 0.00 0.00 58.31 57.73 1veh n LYS 19 Cb 0.30 -2.30 -0.09 0.00 -0.02 0.00 0.00 35.03 32.92 1veh n LYS 19 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1veh h GLU 20 N 0.00 -0.80 -0.37 1.97 4.22 -1.13 0.30 114.58 118.77 1veh h GLU 20 Ca 0.41 0.05 0.11 0.00 0.08 0.00 0.00 59.36 60.01 1veh h GLU 20 Cb 0.66 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1veh h GLU 20 CO -1.01 -0.52 0.63 1.25 -2.18 0.00 0.00 179.01 177.19 1veh h LEU 21 N -0.88 0.00 0.04 1.64 6.46 0.12 2.68 115.31 125.37 1veh h LEU 21 Ca -0.08 0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 57.37 1veh h LEU 21 Cb 0.65 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 1veh h LEU 21 CO 0.14 0.00 -1.72 -0.07 -0.62 0.00 0.00 178.44 176.17 1veh h LEU 22 N 0.00 0.13 0.09 2.25 -0.00 0.10 -3.38 115.31 114.50 1veh h LEU 22 Ca 0.17 -0.26 -0.12 0.00 -0.00 0.00 0.00 57.88 57.67 1veh h LEU 22 Cb 1.43 -0.04 0.01 0.00 -0.00 0.00 0.00 40.66 42.06 1veh h LEU 22 CO -0.00 1.23 -0.51 -0.78 -0.00 0.00 0.00 178.44 178.38 1veh h ASP 23 N 0.02 0.30 0.00 -0.43 1.82 0.63 0.87 116.42 119.63 1veh h ASP 23 Ca -0.30 -0.97 0.00 0.00 -0.39 0.00 0.00 57.03 55.37 1veh h ASP 23 Cb 2.01 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.92 1veh h ASP 23 CO 0.09 1.24 0.00 0.35 -1.61 0.00 0.00 179.24 179.32 1veh n THR 24 N -4.30 0.00 -2.71 2.25 -2.24 0.77 -4.13 114.28 103.90 1veh n THR 24 Ca -0.12 0.17 -0.06 0.00 -2.27 0.00 0.00 64.05 61.76 1veh n THR 24 Cb 0.69 -0.34 0.05 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.00 1.31 0.02 -0.78 1.74 -1.26 -4.81 116.66 112.88 1veh n ARG 25 Ca 0.00 -3.02 -0.01 0.00 -0.77 0.00 0.00 57.85 54.05 1veh n ARG 25 Cb 0.00 -1.09 -0.00 0.00 -1.02 0.00 0.00 32.46 30.35 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 -0.36 0.75 -0.02 0.55 5.41 -1.19 -4.34 119.36 120.15 1veh n ILE 26 Ca 0.05 0.20 -0.13 0.00 1.00 0.00 0.00 62.75 63.87 1veh n ILE 26 Cb 0.82 -1.59 -0.09 0.00 -0.71 0.00 0.00 39.64 38.06 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 -0.08 0.08 0.00 0.38 2.43 0.56 -1.97 114.38 115.79 1veh h ARG 27 Ca -0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1veh h ARG 27 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1veh h ARG 27 CO -0.01 0.57 0.00 -0.35 -1.51 0.00 0.00 179.97 178.66 1veh n PRO 28 N -4.77 0.41 -0.04 0.20 -0.04 -1.26 -2.65 135.00 126.85 1veh n PRO 28 Ca -0.08 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.31 1veh n PRO 28 Cb 0.29 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.23 1.60 -0.08 0.52 -1.04 -1.11 -4.19 114.28 108.75 1veh n THR 29 Ca 0.12 -0.76 -0.13 0.00 -2.04 0.00 0.00 64.05 61.25 1veh n THR 29 Cb 0.16 -1.12 -0.05 0.00 -1.82 0.00 0.00 70.33 67.51 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 0.02 1.31 -0.79 12.58 2.07 -1.12 -3.18 116.25 127.13 1veh h VAL 30 Ca -0.39 -1.28 0.13 0.00 0.82 0.00 0.00 66.70 65.99 1veh h VAL 30 Cb 2.05 1.60 -0.14 0.00 -1.52 0.00 0.00 31.29 33.29 1veh h VAL 30 CO 0.06 0.40 -0.36 1.56 0.02 0.00 0.00 177.57 179.24 1veh h GLN 31 N 0.26 -0.08 -1.12 1.57 4.20 -1.41 1.46 115.11 120.00 1veh h GLN 31 Ca 0.05 0.01 0.31 0.00 0.06 0.00 0.00 58.65 59.08 1veh h GLN 31 Cb 0.69 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.41 1veh h GLN 31 CO 0.04 -0.05 0.75 0.93 -0.67 0.00 0.00 178.83 179.84 1veh h GLU 32 N -0.08 0.21 0.00 1.46 5.08 -1.71 -2.47 114.58 117.07 1veh h GLU 32 Ca 0.29 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1veh h GLU 32 Cb 0.57 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1veh h GLU 32 CO -0.84 0.14 -0.00 0.22 -1.00 0.00 0.00 179.01 177.53 1veh h ASP 33 N 0.21 -0.00 0.00 1.42 3.58 0.18 -3.49 116.42 118.31 1veh h ASP 33 Ca 0.60 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.05 1veh h ASP 33 Cb 1.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.94 1veh h ASP 33 CO -0.19 0.10 0.00 0.61 -2.88 0.00 0.00 179.24 176.88 1veh n GLY 34 N 1.90 -0.91 3.70 -0.78 0.00 0.83 -4.83 105.19 105.10 1veh n GLY 34 Ca -0.00 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 1veh n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1veh s GLY 35 N 0.00 -0.29 -0.17 -0.02 0.00 -1.19 -3.84 107.32 101.82 1veh s GLY 35 Ca 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 44.72 45.03 1veh s GLY 35 CO 0.00 0.07 -0.00 0.51 0.00 0.00 0.00 173.10 173.68 1veh s ASP 36 N -2.85 2.73 -0.16 1.64 1.47 -1.26 -2.59 116.67 115.64 1veh s ASP 36 Ca 0.11 -0.67 -0.20 0.00 1.18 0.00 0.00 52.55 52.96 1veh s ASP 36 Cb -0.01 -0.70 -0.03 0.00 -0.34 0.00 0.00 42.92 41.84 1veh s ASP 36 CO -0.00 -0.25 0.60 0.54 0.68 0.00 0.00 175.17 176.74 1veh s VAL 37 N 1.78 5.07 -0.17 2.11 0.11 -1.26 -3.37 120.40 124.67 1veh s VAL 37 Ca 0.00 1.16 -0.04 0.00 -2.93 0.00 0.00 61.98 60.17 1veh s VAL 37 Cb -0.16 -3.92 0.06 0.00 -1.53 0.00 0.00 36.38 30.82 1veh s VAL 37 CO -0.07 0.18 0.06 -0.63 -3.33 0.00 0.00 175.10 171.31 1veh s ILE 38 N 1.47 0.19 -0.51 7.04 1.09 -1.25 -4.80 121.20 124.42 1veh s ILE 38 Ca 0.29 -0.27 -0.28 0.00 -1.10 0.00 0.00 60.65 59.29 1veh s ILE 38 Cb -0.16 -0.73 -0.01 0.00 -1.06 0.00 0.00 42.46 40.50 1veh s ILE 38 CO 0.11 -0.19 1.65 -0.47 -0.10 0.00 0.00 174.94 175.94 1veh s TYR 39 N 2.02 1.97 -0.42 3.97 5.04 -1.26 -1.24 117.35 127.43 1veh s TYR 39 Ca 0.01 0.62 0.02 0.00 -2.44 0.00 0.00 57.07 55.28 1veh s TYR 39 Cb -0.16 -4.23 0.13 0.00 0.35 0.00 0.00 41.96 38.05 1veh s TYR 39 CO -0.08 -2.32 0.21 1.03 -1.34 0.00 0.00 175.55 173.05 1veh s ARG 40 N 6.01 1.31 0.00 4.97 1.81 0.45 -4.98 118.95 128.53 1veh s ARG 40 Ca 0.64 -1.94 0.00 0.00 -1.72 0.00 0.00 55.73 52.71 1veh s ARG 40 Cb -0.14 -2.48 0.00 0.00 -0.45 0.00 0.00 34.95 31.88 1veh s ARG 40 CO 0.26 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.18 1veh n GLY 41 N 3.73 2.83 2.70 -3.53 0.00 -1.26 -4.50 105.19 105.16 1veh n GLY 41 Ca 0.06 -1.42 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.33 -0.09 0.03 1.61 2.19 -1.26 0.54 117.98 120.67 1veh s PHE 42 Ca 0.00 0.03 0.01 0.00 0.33 0.00 0.00 56.93 57.30 1veh s PHE 42 Cb 0.00 -0.48 -0.02 0.00 -1.31 0.00 0.00 43.02 41.20 1veh s PHE 42 CO 0.00 -0.55 -0.04 -1.21 1.83 0.00 0.00 175.22 175.24 1veh s GLU 43 N 2.25 0.41 -0.04 10.12 0.41 -1.12 -4.80 118.70 125.93 1veh s GLU 43 Ca 0.05 -0.72 0.00 0.00 -0.41 0.00 0.00 54.97 53.89 1veh s GLU 43 Cb -0.16 -0.01 0.00 0.00 -1.78 0.00 0.00 34.13 32.19 1veh s GLU 43 CO -0.11 -0.02 0.00 -0.25 -0.49 0.00 0.00 175.26 174.39 1veh n ASP 44 N 1.41 -1.05 0.00 -0.19 9.92 -1.26 0.11 116.55 125.48 1veh n ASP 44 Ca -0.23 0.46 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1veh n ASP 44 Cb 0.55 -1.06 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 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 -0.48 1.61 3.51 0.44 0.00 -1.26 -4.38 105.19 104.63 1veh n GLY 45 Ca -0.01 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.02 -2.55 -0.61 -0.00 0.29 -3.18 119.36 113.30 1veh n ILE 46 Ca 0.00 -0.29 -0.42 0.00 -0.00 0.00 0.00 62.75 62.04 1veh n ILE 46 Cb 0.00 -1.35 -0.03 0.00 -0.00 0.00 0.00 39.64 38.25 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 9.96 4.26 -0.47 1.39 1.01 -0.90 -2.81 120.40 132.85 1veh s VAL 47 Ca 1.21 1.71 -0.23 0.00 0.00 0.00 0.00 61.98 64.67 1veh s VAL 47 Cb -0.87 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 31.44 1veh s VAL 47 CO 0.42 0.18 0.79 -0.13 0.00 0.00 0.00 175.10 176.36 1veh s ARG 48 N 0.61 3.36 -0.06 2.72 0.52 0.19 -2.67 118.95 123.62 1veh s ARG 48 Ca 0.54 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.58 1veh s ARG 48 Cb -0.27 -3.97 -0.02 0.00 0.52 0.00 0.00 34.95 31.21 1veh s ARG 48 CO 0.30 -1.18 -0.15 -0.51 0.02 0.00 0.00 175.30 173.79 1veh s LEU 49 N 3.32 2.71 -0.89 2.53 2.01 0.02 0.17 118.68 128.55 1veh s LEU 49 Ca 0.28 -0.22 0.01 0.00 0.01 0.00 0.00 54.13 54.21 1veh s LEU 49 Cb -0.13 -1.55 0.31 0.00 0.01 0.00 0.00 46.19 44.83 1veh s LEU 49 CO 0.21 0.32 1.36 1.17 1.01 0.00 0.00 176.35 180.43 1veh n LYS 50 N 2.46 4.21 -3.97 1.70 4.81 -0.37 0.20 118.16 127.19 1veh n LYS 50 Ca -0.17 -4.68 -0.31 0.00 -0.87 0.00 0.00 58.31 52.28 1veh n LYS 50 Cb 0.52 -2.40 -0.05 0.00 0.02 0.00 0.00 35.03 33.12 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 -3.38 4.12 -0.20 3.14 -0.00 -1.22 -3.92 118.68 117.22 1veh s LEU 51 Ca 0.39 0.15 -0.08 0.00 -0.00 0.00 0.00 54.13 54.59 1veh s LEU 51 Cb 0.16 -2.75 0.08 0.00 -0.00 0.00 0.00 46.19 43.68 1veh s LEU 51 CO -0.04 0.17 0.45 -1.58 -0.00 0.00 0.00 176.35 175.35 1veh s GLN 52 N -2.45 0.38 0.01 1.48 0.74 -1.26 -4.86 119.66 113.70 1veh s GLN 52 Ca 0.32 1.01 -0.01 0.00 0.05 0.00 0.00 55.36 56.73 1veh s GLN 52 Cb -0.13 0.26 -0.01 0.00 1.10 0.00 0.00 33.01 34.24 1veh s GLN 52 CO 0.25 -0.22 0.01 0.20 -0.55 0.00 0.00 175.29 174.99 1veh s GLY 53 N 2.24 0.13 -0.20 2.59 0.00 -1.25 -3.17 107.32 107.66 1veh s GLY 53 Ca -0.05 -0.31 0.03 0.00 0.00 0.00 0.00 44.72 44.39 1veh s GLY 53 CO -0.14 -0.37 0.04 1.44 0.00 0.00 0.00 173.10 174.08 1veh n SER 54 N 2.05 1.66 -3.76 1.64 7.64 -1.26 -4.57 113.62 117.02 1veh n SER 54 Ca -0.20 0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.28 1veh n SER 54 Cb 0.57 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 1veh n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1veh n THR 56 N 5.67 0.61 -1.27 0.00 -1.04 -1.26 -4.92 114.28 112.08 1veh n THR 56 Ca 0.51 -0.67 -0.38 0.00 -2.04 0.00 0.00 64.05 61.47 1veh n THR 56 Cb 0.40 0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 69.46 1veh n THR 56 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1veh n SER 57 N -0.38 4.46 -3.33 8.00 7.64 -1.26 -4.64 113.62 124.11 1veh n SER 57 Ca 0.02 -2.64 0.03 0.00 1.01 0.00 0.00 58.87 57.29 1veh n SER 57 Cb 0.47 -1.35 -0.03 0.00 -1.01 0.00 0.00 64.21 62.29 1veh n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1veh h PRO 59 N 7.63 -0.13 -0.86 0.00 0.13 -1.98 -2.74 132.00 134.05 1veh h PRO 59 Ca -0.16 0.01 0.08 0.00 -0.87 0.00 0.00 66.00 65.06 1veh h PRO 59 Cb 1.13 0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 1veh h PRO 59 CO 0.05 -0.09 -0.50 0.43 -0.23 0.00 0.00 178.00 177.66 1veh n SER 60 N -3.20 -0.91 -0.33 1.44 7.64 -1.26 0.18 113.62 117.19 1veh n SER 60 Ca -0.02 1.64 0.14 0.00 1.01 0.00 0.00 58.87 61.64 1veh n SER 60 Cb 0.05 -0.26 0.33 0.00 -1.01 0.00 0.00 64.21 63.33 1veh n SER 60 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1veh h SER 61 N 0.00 0.59 0.24 6.43 0.02 -1.98 1.16 113.55 120.01 1veh h SER 61 Ca 0.14 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1veh h SER 61 Cb 0.35 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1veh h SER 61 CO -0.80 0.13 -0.11 0.40 -1.14 0.00 0.00 176.83 175.30 1veh h ILE 62 N 0.58 0.81 0.00 3.27 2.04 0.18 1.50 117.51 125.90 1veh h ILE 62 Ca 0.59 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1veh h ILE 62 Cb 1.04 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1veh h ILE 62 CO -0.46 0.14 0.00 -0.38 0.00 0.00 0.00 178.15 177.46 1veh n ILE 63 N -5.07 1.29 -0.12 -0.67 5.41 0.47 0.16 119.36 120.83 1veh n ILE 63 Ca -0.09 0.53 -0.26 0.00 1.00 0.00 0.00 62.75 63.93 1veh n ILE 63 Cb 0.25 -1.50 -0.11 0.00 -0.71 0.00 0.00 39.64 37.58 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 -1.95 1.54 -0.02 1.39 -1.04 0.38 -3.75 114.28 110.83 1veh n THR 64 Ca 0.00 -0.28 -0.02 0.00 -2.04 0.00 0.00 64.05 61.71 1veh n THR 64 Cb 0.07 -1.91 -0.01 0.00 -1.82 0.00 0.00 70.33 66.66 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 -4.24 0.58 -0.05 -4.42 4.32 0.51 -2.94 117.00 110.75 1veh n LEU 65 Ca -0.46 0.25 -0.02 0.00 -0.02 0.00 0.00 56.01 55.75 1veh n LEU 65 Cb 0.83 -0.60 -0.02 0.00 -1.62 0.00 0.00 43.42 42.01 1veh n LEU 65 CO 0.11 -0.46 0.50 0.50 -1.22 0.00 0.00 177.39 176.81 1veh h LYS 66 N -0.31 -0.04 -0.69 3.23 3.64 0.76 1.49 116.57 124.65 1veh h LYS 66 Ca 0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1veh h LYS 66 Cb 0.23 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 1veh h LYS 66 CO 0.00 -0.03 0.41 1.03 -2.27 0.00 0.00 179.45 178.59 1veh h SER 67 N -0.05 0.63 -0.60 4.20 0.87 0.13 -1.94 113.55 116.80 1veh h SER 67 Ca 0.02 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.71 1veh h SER 67 Cb 0.10 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 61.86 1veh h SER 67 CO -0.14 0.42 0.14 1.23 -0.53 0.00 0.00 176.83 177.95 1veh h GLY 68 N 0.77 0.78 0.75 5.77 0.00 -0.95 -2.08 103.07 108.11 1veh h GLY 68 Ca 0.29 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 1veh h GLY 68 CO -0.15 -0.10 -0.46 -2.22 0.00 0.00 0.00 176.54 173.62 1veh h ILE 69 N 0.28 0.09 -0.91 2.60 2.04 0.28 -1.25 117.51 120.63 1veh h ILE 69 Ca 0.31 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.35 1veh h ILE 69 Cb 0.45 0.09 -0.17 0.00 -0.74 0.00 0.00 36.82 36.44 1veh h ILE 69 CO -0.38 0.00 -0.24 1.67 0.00 0.00 0.00 178.15 179.19 1veh n GLN 70 N -5.58 -0.10 -0.02 2.37 7.27 -0.87 0.16 117.38 120.62 1veh n GLN 70 Ca -0.13 1.42 -0.10 0.00 0.07 0.00 0.00 57.00 58.26 1veh n GLN 70 Cb 0.46 -2.12 -0.04 0.00 2.41 0.00 0.00 30.24 30.95 1veh n GLN 70 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 1veh h ASN 71 N 0.00 0.02 -0.05 1.69 2.35 -0.97 -2.67 115.58 115.96 1veh h ASN 71 Ca 0.42 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 56.21 1veh h ASN 71 Cb 0.65 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.99 1veh h ASN 71 CO -0.94 0.04 -0.46 -0.03 -1.65 0.00 0.00 177.43 174.39 1veh h MET 72 N 0.10 -0.52 -0.99 0.81 4.05 0.27 1.50 114.93 120.15 1veh h MET 72 Ca 0.06 0.04 0.16 0.00 -0.28 0.00 0.00 59.70 59.68 1veh h MET 72 Cb 0.05 0.12 -0.16 0.00 -0.80 0.00 0.00 31.60 30.80 1veh h MET 72 CO -0.08 -0.35 -0.36 1.25 0.23 0.00 0.00 176.91 177.60 1veh h LEU 73 N -0.54 -1.33 0.61 3.39 7.12 -0.87 0.35 115.31 124.03 1veh h LEU 73 Ca 0.02 0.31 -0.03 0.00 0.13 0.00 0.00 57.88 58.30 1veh h LEU 73 Cb 0.60 0.73 0.01 0.00 -0.53 0.00 0.00 40.66 41.46 1veh h LEU 73 CO -0.33 -0.30 -0.29 1.56 -0.13 0.00 0.00 178.44 178.95 1veh h GLN 74 N -0.01 -0.79 -0.91 1.25 7.50 -0.94 0.51 115.11 121.73 1veh h GLN 74 Ca 0.37 0.05 0.13 0.00 0.50 0.00 0.00 58.65 59.70 1veh h GLN 74 Cb 0.62 0.18 -0.14 0.00 0.05 0.00 0.00 27.48 28.19 1veh h GLN 74 CO -0.99 -0.47 -0.41 0.34 -1.50 0.00 0.00 178.83 175.80 1veh n PHE 75 N -5.35 -0.09 0.11 2.96 -0.00 0.50 -1.43 117.46 114.16 1veh n PHE 75 Ca -0.12 1.13 -0.11 0.00 -0.00 0.00 0.00 57.45 58.36 1veh n PHE 75 Cb 0.35 -0.77 -0.07 0.00 -0.00 0.00 0.00 39.48 38.99 1veh n PHE 75 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 1veh h TYR 76 N 0.00 -0.31 -3.47 -5.13 0.05 -0.41 -3.41 116.97 104.28 1veh h TYR 76 Ca 0.27 -0.01 -0.72 0.00 0.05 0.00 0.00 58.73 58.33 1veh h TYR 76 Cb 0.50 0.10 -0.21 0.00 1.01 0.00 0.00 36.73 38.14 1veh h TYR 76 CO -0.84 0.05 -0.38 0.42 -1.05 0.00 0.00 178.16 176.36 1veh s ILE 77 N -3.70 5.23 -1.71 -2.88 -1.09 0.18 -4.91 121.20 112.32 1veh s ILE 77 Ca -0.12 -0.67 0.23 0.00 -2.23 0.00 0.00 60.65 57.86 1veh s ILE 77 Cb 0.01 -3.98 0.54 0.00 -1.58 0.00 0.00 42.46 37.45 1veh s ILE 77 CO 0.44 -0.37 1.77 -0.81 -1.23 0.00 0.00 174.94 174.74 1veh n PRO 78 N 5.24 0.53 0.02 2.79 -0.04 -1.13 -3.70 135.00 138.71 1veh n PRO 78 Ca -0.11 0.04 -0.01 0.00 -0.04 0.00 0.00 63.50 63.38 1veh n PRO 78 Cb 0.47 -1.50 -0.01 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 -0.08 -6.30 0.54 4.39 -1.90 -3.46 114.58 107.76 1veh h GLU 79 Ca 0.00 0.01 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 1veh h GLU 79 Cb 0.11 0.02 0.24 0.00 -0.10 0.00 0.00 28.75 29.01 1veh h GLU 79 CO 0.00 -0.05 -1.58 1.55 -1.16 0.00 0.00 179.01 177.77 1veh n VAL 80 N -2.68 0.00 0.00 3.13 3.14 -1.24 -4.48 118.33 116.20 1veh n VAL 80 Ca -0.01 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1veh n VAL 80 Cb 0.03 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 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 0.75 0.00 -3.49 1.45 1.02 -1.19 -4.85 120.64 114.33 1veh n GLU 81 Ca 0.01 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.00 1veh n GLU 81 Cb 0.60 -0.23 -0.05 0.00 -0.02 0.00 0.00 31.44 31.74 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 1.74 3.46 3.19 0.62 0.00 -1.26 -4.90 105.19 108.04 1veh n GLY 82 Ca 0.00 -1.95 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 1veh n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1veh s VAL 83 N -2.65 1.03 -0.18 1.61 1.01 -1.26 -2.11 120.40 117.84 1veh s VAL 83 Ca 0.18 -1.60 -0.11 0.00 0.00 0.00 0.00 61.98 60.44 1veh s VAL 83 Cb 0.01 -1.34 0.06 0.00 0.00 0.00 0.00 36.38 35.11 1veh s VAL 83 CO 0.13 -0.49 0.46 -1.61 0.00 0.00 0.00 175.10 173.58 1veh s GLU 84 N -2.62 0.46 -1.18 2.72 2.02 -1.09 -4.92 118.70 114.09 1veh s GLU 84 Ca 0.05 0.81 -0.16 0.00 0.02 0.00 0.00 54.97 55.70 1veh s GLU 84 Cb -0.04 0.05 0.14 0.00 0.10 0.00 0.00 34.13 34.38 1veh s GLU 84 CO 0.01 -0.14 1.46 -1.14 0.02 0.00 0.00 175.26 175.47 1veh s GLN 85 N 1.20 3.99 0.56 1.61 -0.44 -1.24 -0.80 119.66 124.53 1veh s GLN 85 Ca -0.08 -2.31 -0.21 0.00 -2.50 0.00 0.00 55.36 50.26 1veh s GLN 85 Cb -0.07 -5.15 -0.05 0.00 -1.64 0.00 0.00 33.01 26.11 1veh s GLN 85 CO -0.11 -1.88 1.29 1.33 0.50 0.00 0.00 175.29 176.42 1veh n VAL 86 N 5.15 3.91 0.00 1.34 0.24 0.53 -4.87 118.33 124.63 1veh n VAL 86 Ca 0.37 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1veh n VAL 86 Cb 0.44 -1.57 0.00 0.00 -1.47 0.00 0.00 33.84 31.25 1veh n VAL 86 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1veh n SER 87 N -1.03 0.00 0.00 -1.34 2.88 -1.26 -4.15 113.62 108.72 1veh n SER 87 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1veh n SER 87 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1veh n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1veh n GLY 88 N -0.02 5.51 2.86 0.46 0.00 -1.26 -4.99 105.19 107.76 1veh n GLY 88 Ca 0.00 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 1veh n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1veh n PRO 89 N 0.00 2.23 -2.85 1.61 -0.04 -1.26 -4.55 135.00 130.14 1veh n PRO 89 Ca 0.00 -2.15 -0.01 0.00 -0.04 0.00 0.00 63.50 61.30 1veh n PRO 89 Cb 0.00 -3.03 -0.01 0.00 -0.04 0.00 0.00 33.50 30.42 1veh n PRO 89 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1veh n SER 90 N 6.43 -6.38 -3.60 3.54 2.88 -1.26 -5.05 113.62 110.18 1veh n SER 90 Ca 0.52 1.12 -0.10 0.00 -1.33 0.00 0.00 58.87 59.08 1veh n SER 90 Cb 0.37 -4.05 -0.06 0.00 -0.75 0.00 0.00 64.21 59.72 1veh n SER 90 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1veh s SER 91 N -1.18 -0.40 0.00 -3.46 0.01 -1.26 -5.27 113.70 102.14 1veh s SER 91 Ca -0.05 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1veh s SER 91 Cb 0.00 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1veh s SER 91 CO 0.52 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.51