#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 -6.61 -4.49 1.61 7.64 -1.26 -4.94 113.62 105.57 1veh n SER 2 Ca 0.00 0.44 -0.34 0.00 1.01 0.00 0.00 58.87 59.98 1veh n SER 2 Cb 0.00 -1.76 -0.12 0.00 -1.01 0.00 0.00 64.21 61.31 1veh n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1veh s SER 3 N -1.04 4.58 0.00 6.43 1.04 -1.26 -5.01 113.70 118.44 1veh s SER 3 Ca 0.01 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1veh s SER 3 Cb -0.00 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.53 1veh s SER 3 CO 0.06 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.11 1veh n GLY 4 N 3.20 -2.36 3.77 7.32 0.00 -1.26 -4.92 105.19 110.94 1veh n GLY 4 Ca -0.18 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.89 7.12 -0.30 1.61 0.15 -1.26 -5.02 113.70 112.11 1veh s SER 5 Ca 0.00 2.14 -0.07 0.00 0.70 0.00 0.00 55.95 58.72 1veh s SER 5 Cb 0.00 -2.61 0.19 0.00 -1.71 0.00 0.00 66.02 61.89 1veh s SER 5 CO 0.00 -0.24 0.87 -0.55 1.20 0.00 0.00 173.24 174.52 1veh s SER 6 N -1.19 -0.87 0.00 5.45 0.15 -1.26 -5.12 113.70 110.86 1veh s SER 6 Ca 0.49 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1veh s SER 6 Cb -0.27 1.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 1veh s SER 6 CO 0.35 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1veh n GLY 7 N 5.37 -2.23 0.32 9.45 0.00 -1.26 -4.96 105.19 111.88 1veh n GLY 7 Ca 0.00 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.65 0.00 1.61 0.02 -2.06 -3.45 113.55 109.01 1veh h SER 8 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1veh h SER 8 Cb 0.00 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1veh h SER 8 CO 0.00 -0.25 0.00 1.21 -1.14 0.00 0.00 176.83 176.65 1veh n GLU 9 N -5.29 0.00 -2.99 3.45 4.07 -1.26 -5.09 120.64 113.54 1veh n GLU 9 Ca -0.10 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 56.56 1veh n GLU 9 Cb 0.31 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.68 1veh n GLU 9 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1veh s GLU 10 N 0.00 3.96 0.17 5.31 2.02 -1.26 -5.00 118.70 123.90 1veh s GLU 10 Ca 0.00 -2.42 -0.03 0.00 0.02 0.00 0.00 54.97 52.53 1veh s GLU 10 Cb 0.00 -4.96 -0.05 0.00 0.10 0.00 0.00 34.13 29.22 1veh s GLU 10 CO 0.00 -1.71 0.39 0.16 0.02 0.00 0.00 175.26 174.12 1veh s ASP 11 N 2.88 6.45 0.51 -0.19 1.47 -1.26 -5.11 116.67 121.42 1veh s ASP 11 Ca 0.38 0.52 0.03 0.00 1.18 0.00 0.00 52.55 54.67 1veh s ASP 11 Cb -0.04 -2.06 -0.00 0.00 -0.34 0.00 0.00 42.92 40.47 1veh s ASP 11 CO -0.03 0.00 0.14 -1.81 0.68 0.00 0.00 175.17 174.15 1veh s ASP 12 N -2.75 4.30 0.46 2.11 1.11 -1.26 -5.00 116.67 115.63 1veh s ASP 12 Ca 0.40 -1.47 0.16 0.00 0.18 0.00 0.00 52.55 51.82 1veh s ASP 12 Cb -0.12 0.37 1.06 0.00 1.07 0.00 0.00 42.92 45.30 1veh s ASP 12 CO 0.27 -0.89 2.01 -0.33 1.18 0.00 0.00 175.17 177.41 1veh h GLU 13 N 1.19 0.00 -0.21 8.23 5.08 -1.99 -1.86 114.58 125.02 1veh h GLU 13 Ca -0.42 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.84 1veh h GLU 13 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1veh h GLU 13 CO 0.69 0.17 -0.26 -0.24 -1.00 0.00 0.00 179.01 178.37 1veh h VAL 14 N 0.00 1.33 0.77 3.13 3.04 -1.99 -2.93 116.25 119.60 1veh h VAL 14 Ca -0.00 -1.46 -0.03 0.00 -1.01 0.00 0.00 66.70 64.20 1veh h VAL 14 Cb 0.31 1.79 -0.01 0.00 -2.01 0.00 0.00 31.29 31.38 1veh h VAL 14 CO 0.02 0.45 -0.50 0.58 -1.01 0.00 0.00 177.57 177.11 1veh h VAL 15 N 0.22 0.01 -1.51 1.51 2.07 -1.80 -0.38 116.25 116.37 1veh h VAL 15 Ca 0.03 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.98 1veh h VAL 15 Cb 0.83 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1veh h VAL 15 CO 0.06 0.00 1.14 0.00 0.02 0.00 0.00 177.57 178.79 1veh h ALA 16 N -1.13 3.42 0.20 1.67 0.00 -1.42 0.56 119.26 122.57 1veh h ALA 16 Ca -0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1veh h ALA 16 Cb 0.97 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1veh h ALA 16 CO 0.09 -1.91 -0.10 1.98 0.00 0.00 0.00 179.25 179.31 1veh h MET 17 N 0.00 -0.26 -0.58 0.00 4.05 -0.93 -3.15 114.93 114.07 1veh h MET 17 Ca 0.72 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 60.19 1veh h MET 17 Cb 2.98 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 33.80 1veh h MET 17 CO -0.01 0.11 0.34 0.82 0.23 0.00 0.00 176.91 178.40 1veh h ILE 18 N -0.93 1.03 -0.83 1.77 2.04 0.11 -2.08 117.51 118.63 1veh h ILE 18 Ca -0.03 -0.23 0.15 0.00 1.00 0.00 0.00 64.86 65.76 1veh h ILE 18 Cb 0.48 0.31 -0.15 0.00 -0.74 0.00 0.00 36.82 36.73 1veh h ILE 18 CO 0.04 0.12 -0.29 0.11 0.00 0.00 0.00 178.15 178.14 1veh h LYS 19 N 0.66 -0.04 0.55 2.37 1.79 -0.22 0.23 116.57 121.91 1veh h LYS 19 Ca 0.24 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.70 1veh h LYS 19 Cb 0.07 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1veh h LYS 19 CO -0.13 -0.02 -0.43 1.49 -1.08 0.00 0.00 179.45 179.28 1veh h GLU 20 N -0.04 -0.92 -0.34 3.15 4.81 -1.34 0.62 114.58 120.53 1veh h GLU 20 Ca 0.35 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.74 1veh h GLU 20 Cb 0.60 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1veh h GLU 20 CO -0.86 -0.61 0.65 1.25 -0.73 0.00 0.00 179.01 178.70 1veh h LEU 21 N -0.96 0.00 0.11 1.64 6.46 -0.59 2.97 115.31 124.95 1veh h LEU 21 Ca -0.06 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.36 1veh h LEU 21 Cb 0.81 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 1veh h LEU 21 CO 0.01 0.00 -1.84 -0.07 -0.62 0.00 0.00 178.44 175.91 1veh h LEU 22 N 0.00 0.37 -0.12 2.25 -0.00 0.14 -3.36 115.31 114.59 1veh h LEU 22 Ca 0.16 -0.73 -0.23 0.00 -0.00 0.00 0.00 57.88 57.08 1veh h LEU 22 Cb 1.46 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 1veh h LEU 22 CO -0.00 1.64 -1.00 0.44 -0.00 0.00 0.00 178.44 179.53 1veh h ASP 23 N 0.07 0.51 0.00 -0.43 5.19 0.72 1.14 116.42 123.62 1veh h ASP 23 Ca -0.36 -0.43 0.00 0.00 -0.62 0.00 0.00 57.03 55.62 1veh h ASP 23 Cb 2.04 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 41.39 1veh h ASP 23 CO 0.11 1.24 0.00 0.35 -3.12 0.00 0.00 179.24 177.83 1veh n THR 24 N -3.71 0.00 -2.76 0.35 -2.24 0.89 -4.39 114.28 102.42 1veh n THR 24 Ca -0.07 0.38 -0.04 0.00 -2.27 0.00 0.00 64.05 62.06 1veh n THR 24 Cb 0.87 -0.79 0.05 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.48 0.03 -0.78 1.74 -1.26 -4.81 116.66 113.07 1veh n ARG 25 Ca 0.00 -3.26 -0.01 0.00 -0.77 0.00 0.00 57.85 53.81 1veh n ARG 25 Cb 0.00 -1.34 -0.00 0.00 -1.02 0.00 0.00 32.46 30.10 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 -0.45 1.04 0.00 0.55 5.41 -1.14 -4.32 119.36 120.46 1veh n ILE 26 Ca 0.06 0.32 -0.12 0.00 1.00 0.00 0.00 62.75 64.01 1veh n ILE 26 Cb 0.81 -1.61 -0.08 0.00 -0.71 0.00 0.00 39.64 38.05 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 -0.05 0.04 0.00 0.38 2.43 0.11 -0.14 114.38 117.15 1veh h ARG 27 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1veh h ARG 27 Cb 0.23 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1veh h ARG 27 CO -0.00 0.26 0.00 -0.35 -1.51 0.00 0.00 179.97 178.37 1veh n PRO 28 N -4.95 0.20 0.02 0.20 -0.04 -1.26 -1.58 135.00 127.60 1veh n PRO 28 Ca -0.07 0.09 0.06 0.00 -0.04 0.00 0.00 63.50 63.53 1veh n PRO 28 Cb 0.14 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.00 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 -1.36 0.67 -0.09 0.52 -1.04 -0.92 -3.88 114.28 108.17 1veh n THR 29 Ca 0.09 -0.61 -0.22 0.00 -2.04 0.00 0.00 64.05 61.27 1veh n THR 29 Cb 0.21 -0.35 -0.12 0.00 -1.82 0.00 0.00 70.33 68.25 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 0.00 0.88 0.00 12.58 2.07 -0.67 -3.34 116.25 127.77 1veh h VAL 30 Ca -0.11 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1veh h VAL 30 Cb 1.31 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1veh h VAL 30 CO 0.02 0.38 0.27 0.06 0.02 0.00 0.00 177.57 178.32 1veh h GLN 31 N -0.87 0.00 0.00 1.57 3.07 -1.36 0.92 115.11 118.45 1veh h GLN 31 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.38 1veh h GLN 31 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.96 1veh h GLN 31 CO -0.17 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.14 1veh n GLU 32 N -2.89 0.71 -0.03 0.06 1.02 -1.25 -3.65 120.64 114.61 1veh n GLU 32 Ca -0.02 0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.06 1veh n GLU 32 Cb 0.32 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 1veh n GLU 32 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1veh n ASP 33 N -1.06 1.38 0.00 1.62 -0.08 0.32 -5.10 116.55 113.64 1veh n ASP 33 Ca 0.18 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.67 1veh n ASP 33 Cb 0.11 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.06 1veh n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1veh n GLY 34 N 2.39 -2.20 0.00 0.27 0.00 -1.11 -5.09 105.19 99.45 1veh n GLY 34 Ca -0.12 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.22 -3.10 3.63 -0.02 0.00 -1.13 -4.78 105.19 98.58 1veh n GLY 35 Ca 0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 1veh n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1veh s ASP 36 N -1.96 -0.48 -0.19 1.61 -1.08 -1.26 -3.64 116.67 109.66 1veh s ASP 36 Ca 0.00 0.92 -0.19 0.00 -0.52 0.00 0.00 52.55 52.76 1veh s ASP 36 Cb 0.00 0.93 -0.03 0.00 -1.46 0.00 0.00 42.92 42.36 1veh s ASP 36 CO 0.00 -0.17 0.54 0.54 0.52 0.00 0.00 175.17 176.60 1veh s VAL 37 N 0.19 5.09 -0.23 1.11 0.11 -1.26 -3.51 120.40 121.89 1veh s VAL 37 Ca 0.03 1.01 -0.02 0.00 -2.93 0.00 0.00 61.98 60.07 1veh s VAL 37 Cb -0.05 -3.87 0.07 0.00 -1.53 0.00 0.00 36.38 31.01 1veh s VAL 37 CO -0.05 0.17 0.03 -0.63 -3.33 0.00 0.00 175.10 171.30 1veh s ILE 38 N 1.62 0.83 -0.57 7.04 1.09 -1.25 -4.83 121.20 125.13 1veh s ILE 38 Ca 0.25 -0.93 -0.28 0.00 -1.10 0.00 0.00 60.65 58.60 1veh s ILE 38 Cb -0.16 -1.37 0.01 0.00 -1.06 0.00 0.00 42.46 39.89 1veh s ILE 38 CO 0.10 -0.31 1.49 -0.47 -0.10 0.00 0.00 174.94 175.65 1veh s TYR 39 N 1.69 2.16 -0.42 3.97 5.04 -1.26 -1.32 117.35 127.22 1veh s TYR 39 Ca 0.01 0.48 0.02 0.00 -2.44 0.00 0.00 57.07 55.14 1veh s TYR 39 Cb -0.18 -4.35 0.13 0.00 0.35 0.00 0.00 41.96 37.91 1veh s TYR 39 CO -0.12 -2.09 0.20 1.03 -1.34 0.00 0.00 175.55 173.23 1veh s ARG 40 N 5.77 1.28 0.00 4.97 1.81 0.46 -4.97 118.95 128.27 1veh s ARG 40 Ca 0.55 -1.91 0.00 0.00 -1.72 0.00 0.00 55.73 52.65 1veh s ARG 40 Cb -0.12 -2.44 0.00 0.00 -0.45 0.00 0.00 34.95 31.94 1veh s ARG 40 CO 0.24 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.16 1veh n GLY 41 N 3.76 2.69 2.68 -3.53 0.00 -1.26 -4.43 105.19 105.10 1veh n GLY 41 Ca 0.06 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.64 -0.06 0.04 1.61 2.19 -1.26 0.12 117.98 119.98 1veh s PHE 42 Ca 0.00 -0.07 0.02 0.00 0.33 0.00 0.00 56.93 57.20 1veh s PHE 42 Cb 0.00 -0.53 -0.03 0.00 -1.31 0.00 0.00 43.02 41.15 1veh s PHE 42 CO 0.00 -0.59 -0.06 -2.00 1.83 0.00 0.00 175.22 174.40 1veh s GLU 43 N 2.24 0.52 -0.09 10.12 -6.30 -1.06 -4.79 118.70 119.34 1veh s GLU 43 Ca 0.05 -0.82 -0.01 0.00 -2.50 0.00 0.00 54.97 51.69 1veh s GLU 43 Cb -0.16 -0.17 0.01 0.00 0.00 0.00 0.00 34.13 33.81 1veh s GLU 43 CO -0.13 0.01 0.03 -3.47 0.02 0.00 0.00 175.26 171.72 1veh n ASP 44 N 1.23 -1.01 0.00 -1.70 -0.08 -1.26 0.12 116.55 113.85 1veh n ASP 44 Ca -0.21 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 1veh n ASP 44 Cb 0.56 -1.00 0.00 0.00 2.34 0.00 0.00 41.12 43.02 1veh n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1veh n GLY 45 N -0.51 1.69 3.52 0.27 0.00 -1.26 -4.42 105.19 104.47 1veh n GLY 45 Ca 0.01 -0.24 -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 -0.03 -2.62 -0.61 -0.00 0.32 -3.13 119.36 113.29 1veh n ILE 46 Ca 0.00 -0.36 -0.43 0.00 -0.00 0.00 0.00 62.75 61.97 1veh n ILE 46 Cb 0.00 -1.54 -0.02 0.00 -0.00 0.00 0.00 39.64 38.08 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 10.29 4.52 -0.21 1.39 1.01 -0.75 -2.57 120.40 134.07 1veh s VAL 47 Ca 1.18 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 64.66 1veh s VAL 47 Cb -0.78 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.23 1veh s VAL 47 CO 0.39 -0.36 1.62 -0.13 0.00 0.00 0.00 175.10 176.62 1veh s ARG 48 N 3.54 3.81 -0.01 2.72 0.52 0.32 -3.19 118.95 126.65 1veh s ARG 48 Ca 0.46 1.69 0.05 0.00 -0.52 0.00 0.00 55.73 57.41 1veh s ARG 48 Cb -0.14 -4.03 -0.01 0.00 0.52 0.00 0.00 34.95 31.28 1veh s ARG 48 CO 0.13 -1.28 -0.18 -0.51 0.02 0.00 0.00 175.30 173.48 1veh s LEU 49 N 5.17 2.03 -0.93 2.53 1.43 0.09 0.17 118.68 129.16 1veh s LEU 49 Ca 0.72 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1veh s LEU 49 Cb -0.25 -0.91 0.30 0.00 0.03 0.00 0.00 46.19 45.36 1veh s LEU 49 CO 0.29 0.21 1.29 1.17 0.23 0.00 0.00 176.35 179.55 1veh n LYS 50 N 2.67 3.99 -3.99 1.70 4.81 -0.43 0.97 118.16 127.88 1veh n LYS 50 Ca -0.15 -4.62 -0.30 0.00 -0.87 0.00 0.00 58.31 52.38 1veh n LYS 50 Cb 0.54 -2.43 -0.05 0.00 0.02 0.00 0.00 35.03 33.11 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 -2.89 4.07 -0.14 3.14 -0.00 -1.23 -3.97 118.68 117.65 1veh s LEU 51 Ca 0.35 0.10 -0.06 0.00 -0.00 0.00 0.00 54.13 54.52 1veh s LEU 51 Cb 0.10 -2.70 0.06 0.00 -0.00 0.00 0.00 46.19 43.65 1veh s LEU 51 CO 0.04 0.15 0.32 -1.58 -0.00 0.00 0.00 176.35 175.29 1veh s GLN 52 N -2.57 0.26 0.00 1.48 0.74 -1.26 -4.84 119.66 113.46 1veh s GLN 52 Ca 0.32 0.73 0.00 0.00 0.05 0.00 0.00 55.36 56.46 1veh s GLN 52 Cb -0.12 -0.00 0.00 0.00 1.10 0.00 0.00 33.01 33.98 1veh s GLN 52 CO 0.25 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.19 1veh n GLY 53 N 4.71 1.44 0.13 2.59 0.00 -1.26 -2.82 105.19 109.98 1veh n GLY 53 Ca -0.17 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.24 1veh n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1veh n SER 54 N 0.00 1.73 0.00 1.61 2.88 -1.26 -4.68 113.62 113.90 1veh n SER 54 Ca 0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1veh n SER 54 Cb 0.00 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1veh n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1veh n THR 56 N -0.06 1.26 -0.33 0.00 5.66 -1.26 -4.63 114.28 114.91 1veh n THR 56 Ca 0.00 -1.12 0.15 0.00 -3.05 0.00 0.00 64.05 60.04 1veh n THR 56 Cb 0.00 0.37 0.30 0.00 -1.55 0.00 0.00 70.33 69.45 1veh n THR 56 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1veh n SER 57 N 0.83 -0.08 -4.12 1.09 7.64 -1.26 -3.46 113.62 114.26 1veh n SER 57 Ca 0.18 1.61 -0.33 0.00 1.01 0.00 0.00 58.87 61.34 1veh n SER 57 Cb 0.60 -0.60 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 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 7.88 0.00 0.00 0.00 0.13 -1.94 -3.33 132.00 134.74 1veh h PRO 59 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1veh h PRO 59 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1veh h PRO 59 CO 0.52 0.27 0.00 0.45 -0.23 0.00 0.00 178.00 179.01 1veh n SER 60 N -3.30 0.00 -0.37 1.44 2.88 -1.26 0.18 113.62 113.20 1veh n SER 60 Ca 0.01 0.93 0.29 0.00 -1.33 0.00 0.00 58.87 58.78 1veh n SER 60 Cb 0.53 -0.43 0.56 0.00 -0.75 0.00 0.00 64.21 64.11 1veh n SER 60 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1veh h SER 61 N 0.00 0.39 0.53 -3.46 0.02 -1.98 1.18 113.55 110.23 1veh h SER 61 Ca 0.00 0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1veh h SER 61 Cb 0.00 0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.68 1veh h SER 61 CO 0.00 -0.17 -0.26 0.40 -1.14 0.00 0.00 176.83 175.67 1veh h ILE 62 N 0.20 0.30 0.00 3.27 2.04 -1.24 1.42 117.51 123.51 1veh h ILE 62 Ca 0.76 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 66.21 1veh h ILE 62 Cb 2.05 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1veh h ILE 62 CO -0.52 0.05 0.00 -0.38 0.00 0.00 0.00 178.15 177.29 1veh n ILE 63 N -5.29 1.22 -0.10 -0.67 5.41 0.49 0.19 119.36 120.61 1veh n ILE 63 Ca -0.11 0.56 -0.23 0.00 1.00 0.00 0.00 62.75 63.97 1veh n ILE 63 Cb 0.32 -1.53 -0.11 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 -2.03 1.56 -0.04 1.39 -1.04 0.37 -4.08 114.28 110.41 1veh n THR 64 Ca -0.00 -0.18 -0.04 0.00 -2.04 0.00 0.00 64.05 61.79 1veh n THR 64 Cb 0.07 -1.96 -0.01 0.00 -1.82 0.00 0.00 70.33 66.61 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 -4.26 1.07 -0.25 -4.42 4.77 0.48 -2.84 117.00 111.56 1veh n LEU 65 Ca -0.37 0.37 -0.07 0.00 -0.03 0.00 0.00 56.01 55.92 1veh n LEU 65 Cb 0.77 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1veh n LEU 65 CO 0.18 -0.44 0.49 0.50 -1.33 0.00 0.00 177.39 176.79 1veh h LYS 66 N -0.58 -0.00 -0.30 3.23 3.64 0.19 0.24 116.57 123.00 1veh h LYS 66 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1veh h LYS 66 Cb 0.39 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1veh h LYS 66 CO 0.00 -0.00 0.17 0.77 -2.27 0.00 0.00 179.45 178.11 1veh h SER 67 N -0.00 0.27 -1.13 4.20 0.02 -1.21 -1.84 113.55 113.86 1veh h SER 67 Ca 0.10 0.00 0.39 0.00 -0.84 0.00 0.00 61.79 61.44 1veh h SER 67 Cb 0.25 -0.05 -0.15 0.00 0.14 0.00 0.00 62.40 62.59 1veh h SER 67 CO -0.56 0.20 0.67 1.23 -1.14 0.00 0.00 176.83 177.23 1veh h GLY 68 N 0.35 1.80 0.34 -3.77 0.00 -0.53 0.57 103.07 101.83 1veh h GLY 68 Ca 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1veh h GLY 68 CO -0.06 -0.52 -0.08 -2.22 0.00 0.00 0.00 176.54 173.65 1veh h ILE 69 N 0.15 1.57 -0.75 2.60 2.04 0.09 -3.19 117.51 120.02 1veh h ILE 69 Ca 0.79 -1.79 0.14 0.00 1.00 0.00 0.00 64.86 65.01 1veh h ILE 69 Cb 2.16 2.74 -0.14 0.00 -0.74 0.00 0.00 36.82 40.84 1veh h ILE 69 CO -0.56 0.47 -0.24 -0.61 0.00 0.00 0.00 178.15 177.21 1veh h GLN 70 N -0.64 -0.04 0.02 2.37 4.15 0.66 -0.15 115.11 121.49 1veh h GLN 70 Ca -0.01 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.43 1veh h GLN 70 Cb 0.82 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.47 1veh h GLN 70 CO 0.02 -0.03 -0.49 -0.91 -1.93 0.00 0.00 178.83 175.49 1veh h ASN 71 N -0.04 -1.51 -0.99 -0.69 2.35 -1.14 -0.63 115.58 112.93 1veh h ASN 71 Ca 0.34 0.17 0.27 0.00 -0.55 0.00 0.00 56.30 56.52 1veh h ASN 71 Cb 0.57 0.57 -0.18 0.00 0.05 0.00 0.00 38.32 39.32 1veh h ASN 71 CO -0.78 -0.48 0.03 -0.03 -1.65 0.00 0.00 177.43 174.51 1veh h MET 72 N -0.63 0.01 0.28 0.81 4.05 -1.04 1.55 114.93 119.96 1veh h MET 72 Ca 0.01 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1veh h MET 72 Cb 0.67 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.44 1veh h MET 72 CO -0.32 0.01 -0.33 1.25 0.23 0.00 0.00 176.91 177.75 1veh h LEU 73 N 0.01 -0.90 -0.92 3.39 5.85 -0.28 0.34 115.31 122.80 1veh h LEU 73 Ca 0.60 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 59.37 1veh h LEU 73 Cb 1.23 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 1veh h LEU 73 CO -0.92 -0.45 0.31 1.56 -0.34 0.00 0.00 178.44 178.59 1veh h GLN 74 N -0.65 1.09 0.15 1.25 4.20 0.85 0.61 115.11 122.61 1veh h GLN 74 Ca -0.01 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.53 1veh h GLN 74 Cb 0.61 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1veh h GLN 74 CO -0.09 0.88 -0.18 0.35 -0.67 0.00 0.00 178.83 179.11 1veh h PHE 75 N 1.07 -0.47 0.19 2.96 3.04 0.26 -3.10 116.94 120.89 1veh h PHE 75 Ca 0.25 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.20 1veh h PHE 75 Cb 0.18 0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1veh h PHE 75 CO 0.02 -0.27 -0.09 1.88 -2.02 0.00 0.00 178.31 177.83 1veh h TYR 76 N -0.37 -0.24 -3.58 0.41 0.05 -0.16 -3.42 116.97 109.66 1veh h TYR 76 Ca 0.01 -0.01 -0.68 0.00 0.05 0.00 0.00 58.73 58.11 1veh h TYR 76 Cb 0.37 0.08 -0.30 0.00 1.01 0.00 0.00 36.73 37.89 1veh h TYR 76 CO -0.16 0.16 -0.70 0.42 -1.05 0.00 0.00 178.16 176.84 1veh s ILE 77 N -3.54 3.26 -1.19 -2.88 1.01 0.21 -4.95 121.20 113.13 1veh s ILE 77 Ca -0.12 -0.97 0.22 0.00 0.00 0.00 0.00 60.65 59.78 1veh s ILE 77 Cb 0.01 -2.70 0.27 0.00 0.01 0.00 0.00 42.46 40.05 1veh s ILE 77 CO 0.46 0.11 1.71 -0.81 0.00 0.00 0.00 174.94 176.42 1veh n PRO 78 N 4.73 0.14 0.40 2.79 -0.04 -1.17 -3.52 135.00 138.33 1veh n PRO 78 Ca -0.15 0.10 -0.18 0.00 -0.04 0.00 0.00 63.50 63.23 1veh n PRO 78 Cb 0.47 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.08 -7.26 0.54 4.39 -1.89 -3.43 114.58 105.84 1veh h GLU 79 Ca 0.00 0.07 -0.52 0.00 0.34 0.00 0.00 59.36 59.25 1veh h GLU 79 Cb 0.30 0.25 0.19 0.00 -0.10 0.00 0.00 28.75 29.39 1veh h GLU 79 CO 0.00 -0.72 0.26 0.54 -1.16 0.00 0.00 179.01 177.93 1veh s VAL 80 N -5.68 2.18 0.00 3.13 0.11 -1.24 -4.41 120.40 114.49 1veh s VAL 80 Ca -0.17 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1veh s VAL 80 Cb 0.03 -2.21 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 1veh s VAL 80 CO 0.55 -0.07 0.00 -0.62 -3.33 0.00 0.00 175.10 171.62 1veh n GLU 81 N -3.97 0.00 -2.01 1.54 1.02 -1.19 -4.75 120.64 111.29 1veh n GLU 81 Ca 0.12 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.23 1veh n GLU 81 Cb 0.52 -0.65 -0.01 0.00 -0.02 0.00 0.00 31.44 31.28 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 2.71 3.12 3.40 0.62 0.00 -1.26 -4.90 105.19 108.89 1veh n GLY 82 Ca 0.00 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.45 1.27 -0.21 1.61 -7.23 -1.26 -1.81 120.40 110.32 1veh s VAL 83 Ca 0.05 -2.05 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 1veh s VAL 83 Cb -0.00 -2.55 0.08 0.00 0.56 0.00 0.00 36.38 34.47 1veh s VAL 83 CO 0.03 -0.19 0.49 -0.70 -0.31 0.00 0.00 175.10 174.42 1veh s GLU 84 N -3.83 0.43 -1.31 4.82 -6.30 -1.19 -4.87 118.70 106.45 1veh s GLU 84 Ca 0.32 1.04 -0.17 0.00 -2.50 0.00 0.00 54.97 53.66 1veh s GLU 84 Cb 0.06 0.26 0.08 0.00 0.00 0.00 0.00 34.13 34.53 1veh s GLU 84 CO 0.12 -0.20 1.78 0.94 0.02 0.00 0.00 175.26 177.92 1veh n GLN 85 N 4.88 3.18 -2.01 4.30 7.27 -1.23 -0.73 117.38 133.03 1veh n GLN 85 Ca -0.15 -3.24 -0.38 0.00 0.07 0.00 0.00 57.00 53.29 1veh n GLN 85 Cb 0.53 -3.42 0.01 0.00 2.41 0.00 0.00 30.24 29.77 1veh n GLN 85 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1veh s VAL 86 N 3.81 2.57 -0.08 1.69 -7.23 0.27 -4.39 120.40 117.04 1veh s VAL 86 Ca 0.52 0.44 -0.06 0.00 -1.81 0.00 0.00 61.98 61.07 1veh s VAL 86 Cb 0.05 -3.23 0.02 0.00 0.56 0.00 0.00 36.38 33.78 1veh s VAL 86 CO 0.05 0.01 0.12 -1.20 -0.31 0.00 0.00 175.10 173.76 1veh n SER 87 N -0.62 -3.96 0.00 4.85 7.64 -1.26 -4.13 113.62 116.13 1veh n SER 87 Ca 0.08 1.37 0.00 0.00 1.01 0.00 0.00 58.87 61.33 1veh n SER 87 Cb 0.46 -4.15 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 1veh n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1veh n GLY 88 N 1.95 -1.32 3.06 0.23 0.00 -1.26 -4.78 105.19 103.07 1veh n GLY 88 Ca -0.20 0.55 -0.25 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.92 -3.10 1.61 -0.04 -1.26 -3.72 135.00 126.57 1veh n PRO 89 Ca 0.00 -1.58 -0.00 0.00 -0.04 0.00 0.00 63.50 61.88 1veh n PRO 89 Cb 0.00 -1.25 -0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 -4.13 -6.75 -2.76 3.54 2.88 -1.26 -4.31 113.62 100.83 1veh n SER 90 Ca 0.13 0.64 -0.04 0.00 -1.33 0.00 0.00 58.87 58.27 1veh n SER 90 Cb 0.48 -2.18 0.01 0.00 -0.75 0.00 0.00 64.21 61.77 1veh n SER 90 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1veh n SER 91 N 1.38 -7.84 -0.10 -3.46 7.64 -1.26 -5.09 113.62 104.88 1veh n SER 91 Ca -0.01 0.90 0.01 0.00 1.01 0.00 0.00 58.87 60.78 1veh n SER 91 Cb 0.37 -5.27 0.01 0.00 -1.01 0.00 0.00 64.21 58.32 1veh n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64