#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 -0.34 0.00 1.61 1.04 -1.26 -5.16 113.70 109.60 1veh s SER 2 Ca 0.00 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.13 1veh s SER 2 Cb 0.00 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 1veh s SER 2 CO 0.00 -1.02 -0.12 -0.94 0.98 0.00 0.00 173.24 172.14 1veh s SER 3 N -2.83 1.41 -0.40 7.02 1.04 -1.26 -5.08 113.70 113.59 1veh s SER 3 Ca 0.06 -0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.28 1veh s SER 3 Cb -0.01 -0.13 0.23 0.00 0.10 0.00 0.00 66.02 66.20 1veh s SER 3 CO -0.06 0.11 0.49 0.61 0.98 0.00 0.00 173.24 175.36 1veh n GLY 4 N 2.55 2.48 0.00 7.32 0.00 -1.26 -4.88 105.19 111.40 1veh n GLY 4 Ca -0.15 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1veh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1veh n SER 5 N 1.86 0.00 -3.61 1.61 2.88 -1.26 -4.99 113.62 110.11 1veh n SER 5 Ca 0.23 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.74 1veh n SER 5 Cb 0.52 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 1veh n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1veh s SER 6 N 0.00 -0.10 0.00 -3.46 0.15 -1.26 -5.15 113.70 103.88 1veh s SER 6 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1veh s SER 6 Cb 0.00 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1veh s SER 6 CO 0.00 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1veh n GLY 7 N -0.12 2.20 0.06 9.45 0.00 -1.26 -5.09 105.19 110.43 1veh n GLY 7 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 1veh n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1veh h SER 8 N 0.00 0.00 0.00 1.61 0.02 -2.04 -3.50 113.55 109.64 1veh h SER 8 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1veh h SER 8 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1veh h SER 8 CO 0.00 0.65 0.00 1.21 -1.14 0.00 0.00 176.83 177.55 1veh n GLU 9 N -4.70 1.94 -3.48 3.45 2.13 -1.26 -5.17 120.64 113.55 1veh n GLU 9 Ca -0.04 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.58 1veh n GLU 9 Cb 0.15 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.84 1veh n GLU 9 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1veh s GLU 10 N 2.79 2.74 0.57 5.31 2.02 -1.26 -5.10 118.70 125.78 1veh s GLU 10 Ca 0.00 -1.33 -0.17 0.00 0.02 0.00 0.00 54.97 53.49 1veh s GLU 10 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 1veh s GLU 10 CO 0.00 -0.10 1.08 0.16 0.02 0.00 0.00 175.26 176.42 1veh s ASP 11 N -4.15 5.74 0.48 -0.19 -4.77 -1.26 -5.06 116.67 107.46 1veh s ASP 11 Ca 0.47 1.97 0.07 0.00 -3.30 0.00 0.00 52.55 51.77 1veh s ASP 11 Cb -0.06 -2.55 0.02 0.00 -1.09 0.00 0.00 42.92 39.23 1veh s ASP 11 CO 0.29 -1.20 0.44 -1.81 0.70 0.00 0.00 175.17 173.59 1veh s ASP 12 N -2.32 4.90 0.49 2.11 1.11 -1.26 -4.98 116.67 116.72 1veh s ASP 12 Ca 0.67 -0.94 0.20 0.00 0.18 0.00 0.00 52.55 52.66 1veh s ASP 12 Cb -0.19 -0.10 1.25 0.00 1.07 0.00 0.00 42.92 44.95 1veh s ASP 12 CO 0.32 -0.91 2.05 -0.33 1.18 0.00 0.00 175.17 177.48 1veh h GLU 13 N 0.81 0.00 -0.09 8.23 5.08 -2.00 -1.75 114.58 124.87 1veh h GLU 13 Ca -0.38 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.74 1veh h GLU 13 Cb 1.28 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.54 1veh h GLU 13 CO 0.55 0.13 -0.87 -0.24 -1.00 0.00 0.00 179.01 177.58 1veh h VAL 14 N 0.00 1.29 0.64 3.13 3.04 -2.00 -3.20 116.25 119.15 1veh h VAL 14 Ca -0.00 -2.11 -0.02 0.00 -1.01 0.00 0.00 66.70 63.56 1veh h VAL 14 Cb 0.28 2.15 -0.01 0.00 -2.01 0.00 0.00 31.29 31.70 1veh h VAL 14 CO 0.02 0.66 -0.43 0.58 -1.01 0.00 0.00 177.57 177.38 1veh h VAL 15 N 0.45 0.13 -1.47 1.51 2.07 -1.72 -0.84 116.25 116.38 1veh h VAL 15 Ca -0.08 0.00 0.45 0.00 0.82 0.00 0.00 66.70 67.90 1veh h VAL 15 Cb 1.51 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 31.30 1veh h VAL 15 CO 0.17 0.00 1.00 0.00 0.02 0.00 0.00 177.57 178.76 1veh h ALA 16 N -0.80 3.06 0.53 1.67 0.00 -1.50 0.24 119.26 122.45 1veh h ALA 16 Ca -0.08 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1veh h ALA 16 Cb 0.84 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.80 1veh h ALA 16 CO 0.05 -1.63 -0.25 1.98 0.00 0.00 0.00 179.25 179.40 1veh h MET 17 N 0.07 -0.68 -0.43 0.00 4.05 -1.18 -3.01 114.93 113.74 1veh h MET 17 Ca 0.81 0.05 0.08 0.00 -0.28 0.00 0.00 59.70 60.36 1veh h MET 17 Cb 2.81 0.15 -0.10 0.00 -0.80 0.00 0.00 31.60 33.67 1veh h MET 17 CO -0.26 -0.45 -0.34 0.82 0.23 0.00 0.00 176.91 176.91 1veh h ILE 18 N -1.07 0.20 -0.99 1.77 2.04 0.27 0.27 117.51 120.01 1veh h ILE 18 Ca -0.07 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.07 1veh h ILE 18 Cb 0.54 0.20 -0.18 0.00 -0.74 0.00 0.00 36.82 36.64 1veh h ILE 18 CO 0.12 0.00 0.06 0.29 0.00 0.00 0.00 178.15 178.62 1veh n LYS 19 N -5.42 -0.08 0.10 2.37 5.02 0.06 0.10 118.16 120.31 1veh n LYS 19 Ca 0.01 1.47 -0.12 0.00 -2.02 0.00 0.00 58.31 57.66 1veh n LYS 19 Cb 0.34 -2.37 -0.05 0.00 -0.02 0.00 0.00 35.03 32.93 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 -0.40 -0.04 1.97 4.81 -0.33 1.46 114.58 122.06 1veh h GLU 20 Ca 0.62 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.89 1veh h GLU 20 Cb 1.32 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.78 1veh h GLU 20 CO -0.92 -0.26 0.21 -0.07 -0.73 0.00 0.00 179.01 177.24 1veh h LEU 21 N -0.41 0.00 0.00 1.64 3.38 0.10 2.16 115.31 122.18 1veh h LEU 21 Ca 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 1veh h LEU 21 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1veh h LEU 21 CO -0.15 0.00 -1.08 -0.07 0.09 0.00 0.00 178.44 177.22 1veh h LEU 22 N 0.00 0.00 -1.16 1.67 -0.00 0.11 -3.36 115.31 112.57 1veh h LEU 22 Ca 0.02 -0.49 -0.06 0.00 -0.00 0.00 0.00 57.88 57.34 1veh h LEU 22 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 1veh h LEU 22 CO -0.00 1.38 -0.07 0.44 -0.00 0.00 0.00 178.44 180.18 1veh h ASP 23 N -1.00 0.47 0.00 -0.43 3.32 0.31 0.21 116.42 119.30 1veh h ASP 23 Ca -0.29 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1veh h ASP 23 Cb 1.20 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1veh h ASP 23 CO -0.17 0.59 0.00 0.35 -1.72 0.00 0.00 179.24 178.29 1veh n THR 24 N -4.24 0.00 -2.69 0.35 -2.24 0.72 -4.62 114.28 101.55 1veh n THR 24 Ca 0.01 0.46 -0.07 0.00 -2.27 0.00 0.00 64.05 62.18 1veh n THR 24 Cb 0.29 -1.01 0.08 0.00 -2.10 0.00 0.00 70.33 67.59 1veh n THR 24 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1veh n ARG 25 N 0.00 1.24 0.00 -0.78 1.85 -1.25 -4.87 116.66 112.85 1veh n ARG 25 Ca 0.00 -2.45 0.00 0.00 -1.00 0.00 0.00 57.85 54.40 1veh n ARG 25 Cb 0.00 -0.58 0.00 0.00 -1.05 0.00 0.00 32.46 30.83 1veh n ARG 25 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1veh n ILE 26 N -0.48 0.00 -0.03 8.89 5.41 -1.09 -4.46 119.36 127.59 1veh n ILE 26 Ca 0.01 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.62 1veh n ILE 26 Cb 0.84 -1.06 -0.11 0.00 -0.71 0.00 0.00 39.64 38.60 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 0.00 0.08 0.00 0.38 2.43 -0.86 -2.18 114.38 114.23 1veh h ARG 27 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1veh h ARG 27 Cb 0.82 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1veh h ARG 27 CO 0.00 0.72 0.00 -0.35 -1.51 0.00 0.00 179.97 178.83 1veh n PRO 28 N -4.69 0.47 -0.08 0.20 -0.04 -1.26 -2.73 135.00 126.87 1veh n PRO 28 Ca -0.09 0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.34 1veh n PRO 28 Cb 0.37 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.18 1.44 -0.24 0.52 -1.04 -1.17 -4.27 114.28 108.34 1veh n THR 29 Ca 0.13 0.17 0.13 0.00 -2.04 0.00 0.00 64.05 62.44 1veh n THR 29 Cb 0.14 -2.33 0.42 0.00 -1.82 0.00 0.00 70.33 66.74 1veh n THR 29 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1veh h VAL 30 N -1.00 0.81 -0.83 12.58 -1.51 -1.43 -1.96 116.25 122.92 1veh h VAL 30 Ca -0.06 -0.21 0.10 0.00 -1.23 0.00 0.00 66.70 65.30 1veh h VAL 30 Cb 0.68 0.16 -0.12 0.00 -2.13 0.00 0.00 31.29 29.87 1veh h VAL 30 CO -0.04 0.11 -0.50 1.56 -1.23 0.00 0.00 177.57 177.47 1veh h GLN 31 N 0.60 -0.10 -1.72 5.19 4.20 -1.65 1.38 115.11 123.01 1veh h GLN 31 Ca 0.43 0.01 0.52 0.00 0.06 0.00 0.00 58.65 59.66 1veh h GLN 31 Cb 0.79 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.50 1veh h GLN 31 CO -0.18 -0.07 1.21 0.93 -0.67 0.00 0.00 178.83 180.05 1veh h GLU 32 N -0.10 0.01 0.83 1.46 5.08 -1.53 0.47 114.58 120.80 1veh h GLU 32 Ca 0.20 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1veh h GLU 32 Cb 0.51 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1veh h GLU 32 CO -0.85 0.01 -0.47 0.22 -1.00 0.00 0.00 179.01 176.92 1veh h ASP 33 N 0.02 -1.18 0.00 1.42 3.58 0.17 -3.48 116.42 116.96 1veh h ASP 33 Ca 0.87 0.06 0.00 0.00 0.42 0.00 0.00 57.03 58.38 1veh h ASP 33 Cb 3.32 0.33 0.00 0.00 1.72 0.00 0.00 39.33 44.70 1veh h ASP 33 CO -0.12 -0.75 0.00 0.61 -2.88 0.00 0.00 179.24 176.10 1veh n GLY 34 N -1.62 -0.14 0.00 -0.78 0.00 0.17 -4.58 105.19 98.24 1veh n GLY 34 Ca -0.15 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.64 3.61 -0.02 0.00 -1.10 -4.93 105.19 103.40 1veh n GLY 35 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1veh n GLY 35 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1veh s ASP 36 N -1.00 -0.11 -0.30 1.61 1.47 -1.24 -4.02 116.67 113.07 1veh s ASP 36 Ca 0.00 0.04 -0.07 0.00 1.18 0.00 0.00 52.55 53.70 1veh s ASP 36 Cb 0.00 0.11 0.01 0.00 -0.34 0.00 0.00 42.92 42.70 1veh s ASP 36 CO 0.00 -0.16 0.08 -0.69 0.68 0.00 0.00 175.17 175.08 1veh s VAL 37 N -1.93 3.92 -0.19 2.11 1.01 -1.26 -3.54 120.40 120.52 1veh s VAL 37 Ca 0.09 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 1veh s VAL 37 Cb -0.01 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.33 1veh s VAL 37 CO -0.04 0.04 -0.16 -0.63 0.00 0.00 0.00 175.10 174.30 1veh s ILE 38 N 1.48 2.36 -0.59 2.22 1.09 -1.22 -4.72 121.20 121.82 1veh s ILE 38 Ca 0.02 -0.84 -0.28 0.00 -1.10 0.00 0.00 60.65 58.45 1veh s ILE 38 Cb -0.18 -2.02 0.03 0.00 -1.06 0.00 0.00 42.46 39.24 1veh s ILE 38 CO 0.02 0.51 1.24 -0.47 -0.10 0.00 0.00 174.94 176.14 1veh s TYR 39 N 1.33 2.53 -0.43 3.97 5.04 -1.26 0.13 117.35 128.66 1veh s TYR 39 Ca 0.05 0.39 0.02 0.00 -2.44 0.00 0.00 57.07 55.09 1veh s TYR 39 Cb -0.13 -4.51 0.13 0.00 0.35 0.00 0.00 41.96 37.80 1veh s TYR 39 CO -0.11 -1.69 0.21 1.03 -1.34 0.00 0.00 175.55 173.65 1veh s ARG 40 N 5.11 1.37 0.00 4.97 1.81 0.49 -4.96 118.95 127.74 1veh s ARG 40 Ca 0.44 -2.01 0.00 0.00 -1.72 0.00 0.00 55.73 52.44 1veh s ARG 40 Cb -0.08 -2.55 0.00 0.00 -0.45 0.00 0.00 34.95 31.87 1veh s ARG 40 CO 0.25 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.16 1veh n GLY 41 N 3.66 2.65 2.74 -3.53 0.00 -1.26 -4.53 105.19 104.93 1veh n GLY 41 Ca 0.06 -1.37 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.07 -0.12 0.03 1.61 2.19 -1.26 0.50 117.98 120.87 1veh s PHE 42 Ca 0.00 0.22 -0.04 0.00 0.33 0.00 0.00 56.93 57.44 1veh s PHE 42 Cb 0.00 -0.41 -0.01 0.00 -1.31 0.00 0.00 43.02 41.28 1veh s PHE 42 CO 0.00 -0.46 0.06 -2.00 1.83 0.00 0.00 175.22 174.65 1veh s GLU 43 N 2.26 0.51 -0.02 10.12 2.12 -1.10 -4.82 118.70 127.78 1veh s GLU 43 Ca 0.04 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 54.65 1veh s GLU 43 Cb -0.14 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.44 1veh s GLU 43 CO -0.09 -0.12 0.00 -3.47 -0.54 0.00 0.00 175.26 171.05 1veh n ASP 44 N 0.98 -1.03 0.00 -1.70 2.03 -1.26 0.10 116.55 115.68 1veh n ASP 44 Ca -0.20 0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.60 1veh n ASP 44 Cb 0.58 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1veh n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1veh n GLY 45 N -0.50 1.63 3.51 0.27 0.00 -1.26 -4.30 105.19 104.54 1veh n GLY 45 Ca -0.00 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.73 -0.61 -0.00 0.29 -3.44 119.36 112.85 1veh n ILE 46 Ca 0.00 -0.28 -0.42 0.00 -0.00 0.00 0.00 62.75 62.05 1veh n ILE 46 Cb 0.00 -1.34 -0.03 0.00 -0.00 0.00 0.00 39.64 38.27 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 9.93 4.86 -0.47 1.39 1.01 -0.99 -2.70 120.40 133.44 1veh s VAL 47 Ca 1.21 2.01 -0.23 0.00 0.00 0.00 0.00 61.98 64.98 1veh s VAL 47 Cb -0.88 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 31.23 1veh s VAL 47 CO 0.42 0.13 0.78 -0.13 0.00 0.00 0.00 175.10 176.29 1veh s ARG 48 N 1.25 3.36 0.01 2.72 0.52 0.18 -2.45 118.95 124.54 1veh s ARG 48 Ca 0.50 -0.21 0.04 0.00 -0.52 0.00 0.00 55.73 55.53 1veh s ARG 48 Cb -0.20 -3.97 -0.03 0.00 0.52 0.00 0.00 34.95 31.27 1veh s ARG 48 CO 0.25 -1.16 -0.09 -0.51 0.02 0.00 0.00 175.30 173.80 1veh s LEU 49 N 3.27 3.03 -1.07 2.53 2.01 0.37 0.19 118.68 129.01 1veh s LEU 49 Ca 0.28 -0.21 -0.04 0.00 0.01 0.00 0.00 54.13 54.17 1veh s LEU 49 Cb -0.13 -1.74 0.31 0.00 0.01 0.00 0.00 46.19 44.64 1veh s LEU 49 CO 0.21 0.28 1.45 1.17 1.01 0.00 0.00 176.35 180.47 1veh n LYS 50 N 1.60 4.40 -3.21 1.70 4.81 0.34 0.21 118.16 128.01 1veh n LYS 50 Ca -0.16 -4.56 -0.39 0.00 -0.87 0.00 0.00 58.31 52.34 1veh n LYS 50 Cb 0.52 -2.51 -0.06 0.00 0.02 0.00 0.00 35.03 33.01 1veh n LYS 50 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1veh s LEU 51 N -2.73 4.49 0.32 3.14 2.96 -1.23 -3.44 118.68 122.19 1veh s LEU 51 Ca 0.31 1.27 -0.18 0.00 -0.22 0.00 0.00 54.13 55.31 1veh s LEU 51 Cb 0.04 -2.96 0.03 0.00 0.50 0.00 0.00 46.19 43.81 1veh s LEU 51 CO 0.10 0.19 0.73 -1.58 -1.32 0.00 0.00 176.35 174.47 1veh s GLN 52 N -0.71 1.96 0.00 1.98 0.74 -1.23 -4.84 119.66 117.55 1veh s GLN 52 Ca 0.31 -1.19 0.00 0.00 0.05 0.00 0.00 55.36 54.53 1veh s GLN 52 Cb -0.19 0.61 0.00 0.00 1.10 0.00 0.00 33.01 34.52 1veh s GLN 52 CO 0.19 -0.90 0.00 0.41 -0.55 0.00 0.00 175.29 174.44 1veh n GLY 53 N -0.49 4.23 0.12 2.59 0.00 -1.26 -2.69 105.19 107.69 1veh n GLY 53 Ca -0.06 -1.40 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 1veh n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1veh n SER 54 N 0.00 1.95 -4.53 1.61 7.64 -1.26 -4.77 113.62 114.26 1veh n SER 54 Ca 0.00 0.36 -0.29 0.00 1.01 0.00 0.00 58.87 59.94 1veh n SER 54 Cb 0.00 -0.93 -0.11 0.00 -1.01 0.00 0.00 64.21 62.15 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 7.52 0.71 0.00 0.00 5.66 -1.26 -4.73 114.28 122.18 1veh n THR 56 Ca 0.54 -0.64 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1veh n THR 56 Cb 0.30 -0.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 1veh n THR 56 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1veh n SER 57 N -2.46 0.00 -3.44 1.09 2.88 -1.26 -4.60 113.62 105.82 1veh n SER 57 Ca -0.18 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.24 1veh n SER 57 Cb 0.84 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.28 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 2.05 0.00 0.43 0.00 0.13 -2.00 -3.20 132.00 129.41 1veh h PRO 59 Ca -0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1veh h PRO 59 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1veh h PRO 59 CO 0.37 0.00 -0.21 1.03 -0.23 0.00 0.00 178.00 178.96 1veh h SER 60 N 0.00 -0.49 -0.99 1.44 0.87 -1.95 -0.62 113.55 111.81 1veh h SER 60 Ca 0.00 -0.08 0.23 0.00 -1.23 0.00 0.00 61.79 60.71 1veh h SER 60 Cb 0.68 0.13 -0.09 0.00 -0.44 0.00 0.00 62.40 62.68 1veh h SER 60 CO 0.00 -0.07 0.63 0.28 -0.53 0.00 0.00 176.83 177.15 1veh h SER 61 N -1.05 0.50 0.39 6.23 0.02 -1.90 0.75 113.55 118.49 1veh h SER 61 Ca -0.06 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1veh h SER 61 Cb 0.54 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1veh h SER 61 CO 0.10 0.15 -0.19 0.40 -1.14 0.00 0.00 176.83 176.15 1veh h ILE 62 N 0.48 0.52 0.00 3.27 2.04 -1.53 1.48 117.51 123.76 1veh h ILE 62 Ca 0.55 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1veh h ILE 62 Cb 1.26 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1veh h ILE 62 CO -0.27 0.09 0.00 -0.38 0.00 0.00 0.00 178.15 177.59 1veh n ILE 63 N -5.18 1.25 -0.09 -0.67 5.41 -0.25 0.19 119.36 120.03 1veh n ILE 63 Ca -0.10 0.53 -0.23 0.00 1.00 0.00 0.00 62.75 63.95 1veh n ILE 63 Cb 0.28 -1.49 -0.12 0.00 -0.71 0.00 0.00 39.64 37.61 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 -1.97 1.59 -0.04 1.39 -1.04 0.25 -4.12 114.28 110.34 1veh n THR 64 Ca 0.00 -0.39 -0.03 0.00 -2.04 0.00 0.00 64.05 61.59 1veh n THR 64 Cb 0.08 -1.80 -0.01 0.00 -1.82 0.00 0.00 70.33 66.77 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 -3.91 0.96 -0.41 -4.42 4.32 0.50 -2.51 117.00 111.53 1veh n LEU 65 Ca -0.40 0.36 -0.11 0.00 -0.02 0.00 0.00 56.01 55.84 1veh n LEU 65 Cb 0.89 -0.67 -0.10 0.00 -1.62 0.00 0.00 43.42 41.92 1veh n LEU 65 CO 0.23 -0.45 0.48 0.50 -1.22 0.00 0.00 177.39 176.93 1veh h LYS 66 N -0.52 -0.01 -0.16 3.23 3.11 0.20 1.29 116.57 123.71 1veh h LYS 66 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 1veh h LYS 66 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 1veh h LYS 66 CO 0.00 -0.01 0.04 1.03 -2.81 0.00 0.00 179.45 177.70 1veh h SER 67 N -0.01 0.24 -0.61 4.20 0.87 -1.40 -2.55 113.55 114.30 1veh h SER 67 Ca 0.16 -0.23 0.12 0.00 -1.23 0.00 0.00 61.79 60.62 1veh h SER 67 Cb 0.42 -0.06 -0.12 0.00 -0.44 0.00 0.00 62.40 62.20 1veh h SER 67 CO -0.93 0.41 -0.13 1.23 -0.53 0.00 0.00 176.83 176.87 1veh h GLY 68 N 0.07 0.47 0.65 5.77 0.00 -0.39 -0.03 103.07 109.61 1veh h GLY 68 Ca 0.05 0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.59 1veh h GLY 68 CO 0.00 -0.23 -0.14 -2.22 0.00 0.00 0.00 176.54 173.95 1veh h ILE 69 N 0.01 0.66 -0.88 2.60 2.04 0.16 0.25 117.51 122.35 1veh h ILE 69 Ca 0.30 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.40 1veh h ILE 69 Cb 0.46 0.66 -0.15 0.00 -0.74 0.00 0.00 36.82 37.05 1veh h ILE 69 CO -0.62 0.00 0.16 -0.61 0.00 0.00 0.00 178.15 177.08 1veh h GLN 70 N -0.22 0.14 -0.06 2.37 4.15 -0.61 0.57 115.11 121.45 1veh h GLN 70 Ca 0.05 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 1veh h GLN 70 Cb 0.29 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 1veh h GLN 70 CO -0.14 0.09 -0.06 -0.91 -1.93 0.00 0.00 178.83 175.88 1veh h ASN 71 N 0.14 0.16 -0.44 -0.69 4.21 -0.40 -2.88 115.58 115.68 1veh h ASN 71 Ca 0.55 -0.49 0.09 0.00 1.21 0.00 0.00 56.30 57.65 1veh h ASN 71 Cb 1.10 -0.04 -0.09 0.00 -1.12 0.00 0.00 38.32 38.17 1veh h ASN 71 CO -0.72 0.62 -0.18 -0.03 -1.29 0.00 0.00 177.43 175.83 1veh h MET 72 N -0.30 -0.08 0.14 0.81 4.05 0.29 1.32 114.93 121.15 1veh h MET 72 Ca 0.01 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1veh h MET 72 Cb 0.58 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.35 1veh h MET 72 CO 0.02 -0.06 -0.50 1.25 0.23 0.00 0.00 176.91 177.85 1veh h LEU 73 N -0.09 -1.50 0.12 3.39 5.85 -0.07 0.96 115.31 123.98 1veh h LEU 73 Ca 0.21 0.16 0.01 0.00 0.84 0.00 0.00 57.88 59.10 1veh h LEU 73 Cb 0.41 0.55 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1veh h LEU 73 CO -0.50 -0.54 -0.20 1.56 -0.34 0.00 0.00 178.44 178.43 1veh h GLN 74 N -0.73 -0.37 -0.83 1.25 4.20 -1.15 0.75 115.11 118.22 1veh h GLN 74 Ca -0.01 0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.85 1veh h GLN 74 Cb 0.73 0.08 -0.14 0.00 0.30 0.00 0.00 27.48 28.45 1veh h GLN 74 CO -0.26 -0.25 -0.39 0.35 -0.67 0.00 0.00 178.83 177.61 1veh h PHE 75 N -0.39 -1.11 0.27 2.96 3.04 0.21 -2.13 116.94 119.79 1veh h PHE 75 Ca 0.02 0.09 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 1veh h PHE 75 Cb 0.40 0.61 0.00 0.00 2.56 0.00 0.00 35.95 39.52 1veh h PHE 75 CO -0.19 -0.40 -0.13 1.88 -2.02 0.00 0.00 178.31 177.45 1veh h TYR 76 N -0.07 -0.34 -3.68 0.41 0.05 -0.50 -3.42 116.97 109.43 1veh h TYR 76 Ca 0.28 -0.01 -0.68 0.00 0.05 0.00 0.00 58.73 58.37 1veh h TYR 76 Cb 0.57 0.11 -0.20 0.00 1.01 0.00 0.00 36.73 38.23 1veh h TYR 76 CO -0.80 0.02 -0.48 0.42 -1.05 0.00 0.00 178.16 176.28 1veh s ILE 77 N -3.80 5.22 -0.88 -2.88 -1.09 0.26 -4.93 121.20 113.09 1veh s ILE 77 Ca -0.12 -0.30 0.23 0.00 -2.23 0.00 0.00 60.65 58.22 1veh s ILE 77 Cb 0.01 -3.71 0.21 0.00 -1.58 0.00 0.00 42.46 37.38 1veh s ILE 77 CO 0.45 -0.05 1.71 -0.81 -1.23 0.00 0.00 174.94 175.01 1veh n PRO 78 N 5.10 0.07 0.00 2.79 -0.04 -1.17 -3.79 135.00 137.96 1veh n PRO 78 Ca -0.12 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1veh n PRO 78 Cb 0.49 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1veh n PRO 78 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1veh n GLU 79 N -1.72 0.00 -1.47 0.54 -0.58 -1.26 -4.76 120.64 111.39 1veh n GLU 79 Ca 0.05 0.45 -0.44 0.00 -0.42 0.00 0.00 57.16 56.80 1veh n GLU 79 Cb 0.28 -1.33 -0.01 0.00 -0.57 0.00 0.00 31.44 29.81 1veh n GLU 79 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1veh n VAL 80 N -1.85 1.83 -0.01 2.62 3.14 -1.25 -4.50 118.33 118.30 1veh n VAL 80 Ca 0.00 -0.50 -0.03 0.00 -2.96 0.00 0.00 64.34 60.85 1veh n VAL 80 Cb 0.00 -0.54 -0.01 0.00 -1.06 0.00 0.00 33.84 32.23 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 0.72 0.05 -3.81 1.45 1.02 -1.22 -4.73 120.64 114.12 1veh n GLU 81 Ca 0.12 0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 57.07 1veh n GLU 81 Cb 0.35 -0.59 -0.05 0.00 -0.02 0.00 0.00 31.44 31.13 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 2.86 3.64 3.00 0.62 0.00 -1.26 -4.90 105.19 109.14 1veh n GLY 82 Ca -0.05 -2.21 -0.11 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.44 0.07 -0.08 1.61 1.01 -1.26 -2.35 120.40 116.95 1veh s VAL 83 Ca 0.06 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1veh s VAL 83 Cb 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 36.16 1veh s VAL 83 CO 0.05 -0.31 0.19 -0.70 0.00 0.00 0.00 175.10 174.33 1veh s GLU 84 N -0.95 0.20 -1.22 2.72 -6.30 -1.02 -4.94 118.70 107.18 1veh s GLU 84 Ca -0.10 0.33 -0.11 0.00 -2.50 0.00 0.00 54.97 52.59 1veh s GLU 84 Cb -0.06 0.02 0.19 0.00 0.00 0.00 0.00 34.13 34.28 1veh s GLU 84 CO -0.00 -0.07 1.59 0.94 0.02 0.00 0.00 175.26 177.73 1veh n GLN 85 N 3.41 3.60 -1.60 4.30 0.00 -1.25 -0.48 117.38 125.37 1veh n GLN 85 Ca -0.17 -3.85 -0.49 0.00 -0.00 0.00 0.00 57.00 52.49 1veh n GLN 85 Cb 0.56 -2.90 -0.04 0.00 0.00 0.00 0.00 30.24 27.86 1veh n GLN 85 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1veh n VAL 86 N 3.59 0.57 -4.04 1.69 0.24 0.55 -4.68 118.33 116.26 1veh n VAL 86 Ca 0.36 -0.14 -0.08 0.00 -2.04 0.00 0.00 64.34 62.44 1veh n VAL 86 Cb 0.39 -1.00 -0.10 0.00 -1.47 0.00 0.00 33.84 31.66 1veh n VAL 86 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1veh s SER 87 N 0.26 0.39 0.00 -1.34 1.04 -1.26 -4.09 113.70 108.70 1veh s SER 87 Ca 0.76 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1veh s SER 87 Cb -0.83 0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.49 1veh s SER 87 CO 0.49 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1veh n GLY 88 N 0.35 4.55 0.11 7.32 0.00 -1.26 -5.09 105.19 111.16 1veh n GLY 88 Ca -0.16 -0.96 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 1veh n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1veh h PRO 89 N 0.00 -0.21 -2.87 1.61 0.13 -2.02 -3.49 132.00 125.16 1veh h PRO 89 Ca 0.00 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.06 1veh h PRO 89 Cb 0.00 0.05 -0.17 0.00 0.13 0.00 0.00 31.00 31.00 1veh h PRO 89 CO 0.00 -0.14 -0.08 0.45 -0.23 0.00 0.00 178.00 178.00 1veh s SER 90 N -4.25 -0.34 -1.34 1.44 0.15 -1.26 -5.07 113.70 103.03 1veh s SER 90 Ca -0.03 0.13 -0.15 0.00 0.70 0.00 0.00 55.95 56.60 1veh s SER 90 Cb 0.00 0.43 0.09 0.00 -1.71 0.00 0.00 66.02 64.83 1veh s SER 90 CO 0.09 -0.63 1.88 -0.24 1.20 0.00 0.00 173.24 175.54 1veh n SER 91 N 0.67 4.65 0.00 5.45 2.88 -1.26 -4.99 113.62 121.03 1veh n SER 91 Ca -0.19 -2.93 0.00 0.00 -1.33 0.00 0.00 58.87 54.42 1veh n SER 91 Cb 0.59 -1.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 1veh n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42