#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 0.15 -0.12 1.61 0.01 -1.26 -5.14 113.70 108.94 1veh s SER 2 Ca 0.00 0.35 -0.12 0.00 1.31 0.00 0.00 55.95 57.49 1veh s SER 2 Cb 0.00 0.27 -0.05 0.00 0.21 0.00 0.00 66.02 66.45 1veh s SER 2 CO 0.00 -0.18 0.28 -0.44 0.41 0.00 0.00 173.24 173.30 1veh s SER 3 N 1.58 6.49 0.00 2.44 0.01 -1.26 -4.56 113.70 118.40 1veh s SER 3 Ca -0.05 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1veh s SER 3 Cb -0.12 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1veh s SER 3 CO -0.06 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.41 1veh n GLY 4 N 2.81 0.88 3.13 3.44 0.00 -1.26 -5.01 105.19 109.17 1veh n GLY 4 Ca -0.14 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.00 -0.56 -0.25 1.61 0.15 -1.26 -5.05 113.70 107.35 1veh s SER 5 Ca 0.00 0.04 -0.37 0.00 0.70 0.00 0.00 55.95 56.32 1veh s SER 5 Cb 0.00 1.30 0.15 0.00 -1.71 0.00 0.00 66.02 65.76 1veh s SER 5 CO 0.00 -0.10 1.37 -0.55 1.20 0.00 0.00 173.24 175.16 1veh s SER 6 N 2.86 -0.03 0.00 5.45 0.15 -1.26 -4.56 113.70 116.31 1veh s SER 6 Ca 0.25 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1veh s SER 6 Cb -0.02 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1veh s SER 6 CO -0.23 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1veh n GLY 7 N -0.09 1.99 0.09 9.45 0.00 -1.26 -4.78 105.19 110.59 1veh n GLY 7 Ca 0.03 0.27 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.07 0.00 1.61 0.02 -2.01 -3.42 113.55 109.68 1veh h SER 8 Ca 0.00 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1veh h SER 8 Cb 0.00 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1veh h SER 8 CO 0.00 0.63 0.00 1.21 -1.14 0.00 0.00 176.83 177.53 1veh n GLU 9 N -4.78 1.68 -3.05 3.45 2.13 -1.26 -4.98 120.64 113.82 1veh n GLU 9 Ca -0.07 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.74 1veh n GLU 9 Cb 0.30 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.01 1veh n GLU 9 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1veh n GLU 10 N 0.00 -1.28 -2.10 5.31 0.00 -1.26 -4.93 120.64 116.39 1veh n GLU 10 Ca 0.00 1.37 -0.29 0.00 0.00 0.00 0.00 57.16 58.24 1veh n GLU 10 Cb 0.00 -1.96 0.03 0.00 0.00 0.00 0.00 31.44 29.52 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 -0.90 5.63 0.32 4.31 1.47 -1.26 -4.62 116.67 121.62 1veh s ASP 11 Ca -0.02 1.01 0.00 0.00 1.18 0.00 0.00 52.55 54.72 1veh s ASP 11 Cb 0.00 -1.93 0.00 0.00 -0.34 0.00 0.00 42.92 40.65 1veh s ASP 11 CO 0.18 -1.15 0.01 0.47 0.68 0.00 0.00 175.17 175.37 1veh n ASP 12 N -2.79 2.86 0.21 2.11 9.92 -1.26 -5.00 116.55 122.59 1veh n ASP 12 Ca 0.06 -2.40 0.06 0.00 -0.53 0.00 0.00 54.79 51.97 1veh n ASP 12 Cb 0.57 0.21 0.45 0.00 -0.64 0.00 0.00 41.12 41.71 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 -0.20 -1.24 5.08 -1.99 -2.15 114.58 114.08 1veh h GLU 13 Ca -0.27 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.98 1veh h GLU 13 Cb 0.81 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1veh h GLU 13 CO 0.44 0.31 -0.30 -0.24 -1.00 0.00 0.00 179.01 178.21 1veh h VAL 14 N 0.00 1.33 0.83 3.13 3.04 -1.95 -3.03 116.25 119.60 1veh h VAL 14 Ca -0.00 -1.51 -0.04 0.00 -1.01 0.00 0.00 66.70 64.14 1veh h VAL 14 Cb 0.62 1.82 0.01 0.00 -2.01 0.00 0.00 31.29 31.73 1veh h VAL 14 CO 0.04 0.46 -0.42 0.58 -1.01 0.00 0.00 177.57 177.22 1veh h VAL 15 N 0.24 0.14 -1.57 1.51 2.07 -1.86 -0.58 116.25 116.20 1veh h VAL 15 Ca 0.02 0.00 0.49 0.00 0.82 0.00 0.00 66.70 68.03 1veh h VAL 15 Cb 0.88 0.14 -0.11 0.00 -1.52 0.00 0.00 31.29 30.68 1veh h VAL 15 CO 0.07 0.00 1.07 0.00 0.02 0.00 0.00 177.57 178.73 1veh h ALA 16 N -0.98 3.19 0.17 1.67 0.00 -1.45 0.78 119.26 122.63 1veh h ALA 16 Ca -0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1veh h ALA 16 Cb 0.89 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1veh h ALA 16 CO 0.17 -1.81 -0.08 1.98 0.00 0.00 0.00 179.25 179.51 1veh h MET 17 N 0.03 -0.22 -0.39 0.00 4.05 -1.16 -3.15 114.93 114.08 1veh h MET 17 Ca 0.87 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 60.37 1veh h MET 17 Cb 3.08 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 33.87 1veh h MET 17 CO -0.27 0.17 0.08 0.82 0.23 0.00 0.00 176.91 177.94 1veh h ILE 18 N -0.92 0.80 -0.86 1.77 2.04 0.15 -0.74 117.51 119.76 1veh h ILE 18 Ca -0.02 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 65.86 1veh h ILE 18 Cb 0.49 0.57 -0.12 0.00 -0.74 0.00 0.00 36.82 37.03 1veh h ILE 18 CO 0.04 0.04 -0.55 0.11 0.00 0.00 0.00 178.15 177.79 1veh h LYS 19 N 0.21 -0.09 0.66 2.37 1.79 0.17 0.96 116.57 122.64 1veh h LYS 19 Ca 0.19 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.64 1veh h LYS 19 Cb 0.22 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1veh h LYS 19 CO -0.25 -0.06 -0.43 1.49 -1.08 0.00 0.00 179.45 179.12 1veh h GLU 20 N -0.09 -1.00 -0.19 3.15 4.81 -1.36 0.43 114.58 120.31 1veh h GLU 20 Ca 0.17 0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.52 1veh h GLU 20 Cb 0.48 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1veh h GLU 20 CO -0.86 -0.67 0.61 1.25 -0.73 0.00 0.00 179.01 178.61 1veh h LEU 21 N -1.04 0.00 0.10 1.64 6.46 0.30 2.91 115.31 125.68 1veh h LEU 21 Ca -0.08 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.34 1veh h LEU 21 Cb 0.85 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 1veh h LEU 21 CO 0.07 0.00 -1.81 -0.07 -0.62 0.00 0.00 178.44 176.01 1veh h LEU 22 N 0.00 0.32 0.03 2.25 -0.00 0.27 -3.37 115.31 114.81 1veh h LEU 22 Ca 0.09 -0.63 -0.04 0.00 -0.00 0.00 0.00 57.88 57.30 1veh h LEU 22 Cb 1.30 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1veh h LEU 22 CO -0.00 1.56 -0.17 0.44 -0.00 0.00 0.00 178.44 180.27 1veh h ASP 23 N 0.06 0.10 0.00 -0.43 3.32 0.64 1.34 116.42 121.44 1veh h ASP 23 Ca -0.35 -0.98 0.00 0.00 0.02 0.00 0.00 57.03 55.72 1veh h ASP 23 Cb 2.03 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.55 1veh h ASP 23 CO 0.11 1.07 0.00 0.35 -1.72 0.00 0.00 179.24 179.05 1veh n THR 24 N -4.51 0.00 -2.73 0.35 -2.24 0.86 -4.05 114.28 101.95 1veh n THR 24 Ca -0.11 0.13 -0.05 0.00 -2.27 0.00 0.00 64.05 61.75 1veh n THR 24 Cb 0.55 -0.27 0.05 0.00 -2.10 0.00 0.00 70.33 68.56 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 1.36 0.03 -0.78 1.74 -1.26 -4.82 116.66 112.93 1veh n ARG 25 Ca 0.00 -3.11 -0.01 0.00 -0.77 0.00 0.00 57.85 53.95 1veh n ARG 25 Cb 0.00 -1.18 -0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 -0.37 1.24 -0.01 0.55 5.41 -1.18 -4.23 119.36 120.76 1veh n ILE 26 Ca 0.06 0.37 -0.12 0.00 1.00 0.00 0.00 62.75 64.05 1veh n ILE 26 Cb 0.82 -1.67 -0.08 0.00 -0.71 0.00 0.00 39.64 38.00 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 -0.13 0.09 0.00 0.38 2.43 0.15 -0.07 114.38 117.23 1veh h ARG 27 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1veh h ARG 27 Cb 0.13 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1veh h ARG 27 CO 0.00 0.31 0.00 -0.35 -1.51 0.00 0.00 179.97 178.42 1veh n PRO 28 N -4.91 0.13 0.07 0.20 -0.04 -1.26 -2.80 135.00 126.39 1veh n PRO 28 Ca -0.07 0.23 -0.23 0.00 -0.04 0.00 0.00 63.50 63.40 1veh n PRO 28 Cb 0.15 -1.69 -0.15 0.00 -0.04 0.00 0.00 33.50 31.78 1veh n PRO 28 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1veh h THR 29 N 0.00 1.12 -0.69 0.52 2.02 -1.64 -3.33 112.91 110.90 1veh h THR 29 Ca 0.00 -2.53 -0.06 0.00 0.77 0.00 0.00 66.41 64.59 1veh h THR 29 Cb 0.47 2.88 -0.03 0.00 -1.74 0.00 0.00 68.15 69.73 1veh h THR 29 CO 0.00 0.79 0.19 0.58 0.37 0.00 0.00 175.52 177.46 1veh h VAL 30 N -0.05 1.26 -0.74 3.16 2.07 -0.93 -2.76 116.25 118.26 1veh h VAL 30 Ca -0.29 -0.91 0.16 0.00 0.82 0.00 0.00 66.70 66.48 1veh h VAL 30 Cb 1.98 0.51 -0.13 0.00 -1.52 0.00 0.00 31.29 32.13 1veh h VAL 30 CO 0.17 0.35 -0.07 1.56 0.02 0.00 0.00 177.57 179.60 1veh h GLN 31 N 1.04 0.06 -0.97 1.57 4.20 -1.18 0.76 115.11 120.59 1veh h GLN 31 Ca 0.22 -0.00 0.18 0.00 0.06 0.00 0.00 58.65 59.11 1veh h GLN 31 Cb 0.33 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.01 1veh h GLN 31 CO -0.00 0.04 0.61 0.93 -0.67 0.00 0.00 178.83 179.73 1veh h GLU 32 N 0.06 0.66 -1.01 1.46 5.08 -1.61 0.43 114.58 119.65 1veh h GLU 32 Ca 0.39 -0.04 -0.61 0.00 -1.00 0.00 0.00 59.36 58.09 1veh h GLU 32 Cb 0.65 -0.15 -0.29 0.00 0.50 0.00 0.00 28.75 29.46 1veh h GLU 32 CO -0.70 0.44 0.79 -3.47 -1.00 0.00 0.00 179.01 175.07 1veh n ASP 33 N -4.65 6.32 -2.96 1.42 -0.08 0.26 -4.96 116.55 111.90 1veh n ASP 33 Ca 0.21 -3.70 -0.01 0.00 -1.51 0.00 0.00 54.79 49.77 1veh n ASP 33 Cb 0.58 -0.93 -0.01 0.00 2.34 0.00 0.00 41.12 43.09 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 -0.96 -1.67 0.00 0.27 0.00 0.15 -4.90 105.19 98.07 1veh n GLY 34 Ca 0.61 0.46 0.00 0.00 0.00 0.00 0.00 46.02 47.09 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 1.85 2.66 3.01 -0.02 0.00 -1.15 -4.21 105.19 107.34 1veh n GLY 35 Ca -0.09 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 4.39 -0.09 1.61 -1.08 -1.26 -1.80 116.67 118.45 1veh s ASP 36 Ca 0.00 -1.58 -0.22 0.00 -0.52 0.00 0.00 52.55 50.23 1veh s ASP 36 Cb 0.00 -1.45 -0.04 0.00 -1.46 0.00 0.00 42.92 39.97 1veh s ASP 36 CO 0.00 -0.27 0.63 0.54 0.52 0.00 0.00 175.17 176.60 1veh s VAL 37 N 1.14 5.09 -0.23 1.11 0.11 -1.26 -3.43 120.40 122.93 1veh s VAL 37 Ca -0.02 1.29 -0.04 0.00 -2.93 0.00 0.00 61.98 60.29 1veh s VAL 37 Cb -0.19 -3.97 0.08 0.00 -1.53 0.00 0.00 36.38 30.76 1veh s VAL 37 CO -0.07 0.27 0.09 -0.63 -3.33 0.00 0.00 175.10 171.43 1veh s ILE 38 N 0.79 0.16 -0.49 7.04 1.09 -1.26 -4.85 121.20 123.68 1veh s ILE 38 Ca 0.34 -0.56 -0.28 0.00 -1.10 0.00 0.00 60.65 59.05 1veh s ILE 38 Cb -0.17 -0.91 -0.01 0.00 -1.06 0.00 0.00 42.46 40.31 1veh s ILE 38 CO 0.16 -0.44 1.72 -0.47 -0.10 0.00 0.00 174.94 175.80 1veh s TYR 39 N 2.01 1.89 -0.43 3.97 5.04 -1.25 -1.83 117.35 126.74 1veh s TYR 39 Ca 0.04 0.67 0.02 0.00 -2.44 0.00 0.00 57.07 55.36 1veh s TYR 39 Cb -0.16 -4.18 0.13 0.00 0.35 0.00 0.00 41.96 38.10 1veh s TYR 39 CO -0.19 -2.42 0.21 1.03 -1.34 0.00 0.00 175.55 172.84 1veh s ARG 40 N 6.12 1.36 0.00 4.97 1.81 0.40 -4.98 118.95 128.63 1veh s ARG 40 Ca 0.68 -1.99 0.00 0.00 -1.72 0.00 0.00 55.73 52.69 1veh s ARG 40 Cb -0.15 -2.53 0.00 0.00 -0.45 0.00 0.00 34.95 31.81 1veh s ARG 40 CO 0.27 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.18 1veh n GLY 41 N 3.67 2.35 2.78 -3.53 0.00 -1.26 -4.48 105.19 104.73 1veh n GLY 41 Ca 0.06 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.51 -0.15 0.01 1.61 2.19 -1.26 0.18 117.98 120.05 1veh s PHE 42 Ca 0.00 0.36 -0.10 0.00 0.33 0.00 0.00 56.93 57.52 1veh s PHE 42 Cb 0.00 -0.36 0.01 0.00 -1.31 0.00 0.00 43.02 41.36 1veh s PHE 42 CO 0.00 -0.39 0.20 -1.21 1.83 0.00 0.00 175.22 175.65 1veh s GLU 43 N 2.28 0.61 -0.70 10.12 2.02 -1.18 -4.26 118.70 127.59 1veh s GLU 43 Ca 0.04 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1veh s GLU 43 Cb -0.14 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.35 1veh s GLU 43 CO -0.08 -0.16 0.00 -3.47 0.02 0.00 0.00 175.26 171.57 1veh n ASP 44 N 1.12 -2.27 0.00 -0.19 -0.08 -1.26 0.00 116.55 113.86 1veh n ASP 44 Ca -0.21 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1veh n ASP 44 Cb 0.57 -2.17 0.00 0.00 2.34 0.00 0.00 41.12 41.86 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 -0.39 1.53 3.54 0.27 0.00 -1.26 -4.42 105.19 104.45 1veh n GLY 45 Ca -0.08 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.06 -2.52 -0.61 2.08 0.10 -2.17 119.36 116.19 1veh n ILE 46 Ca 0.00 -0.58 -0.41 0.00 0.56 0.00 0.00 62.75 62.32 1veh n ILE 46 Cb 0.00 -2.17 -0.04 0.00 -0.75 0.00 0.00 39.64 36.68 1veh n ILE 46 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1veh s VAL 47 N 11.29 3.84 -0.48 1.39 1.01 0.49 -3.12 120.40 134.81 1veh s VAL 47 Ca 1.09 1.62 -0.23 0.00 0.00 0.00 0.00 61.98 64.46 1veh s VAL 47 Cb -0.48 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 31.90 1veh s VAL 47 CO 0.33 0.29 0.79 -0.13 0.00 0.00 0.00 175.10 176.38 1veh s ARG 48 N -0.52 3.33 -0.07 2.72 0.52 0.13 -2.69 118.95 122.38 1veh s ARG 48 Ca 0.48 -0.29 0.05 0.00 -0.52 0.00 0.00 55.73 55.45 1veh s ARG 48 Cb -0.29 -3.99 -0.02 0.00 0.52 0.00 0.00 34.95 31.17 1veh s ARG 48 CO 0.35 -1.22 -0.20 -0.51 0.02 0.00 0.00 175.30 173.74 1veh s LEU 49 N 3.32 2.34 -0.96 2.53 2.01 -0.54 0.15 118.68 127.54 1veh s LEU 49 Ca 0.27 -0.40 -0.01 0.00 0.01 0.00 0.00 54.13 54.00 1veh s LEU 49 Cb -0.13 -1.46 0.31 0.00 0.01 0.00 0.00 46.19 44.92 1veh s LEU 49 CO 0.20 0.26 1.48 1.17 1.01 0.00 0.00 176.35 180.47 1veh n LYS 50 N 2.86 4.52 -2.82 1.70 4.81 -0.76 0.99 118.16 129.46 1veh n LYS 50 Ca -0.17 -4.65 -0.26 0.00 -0.87 0.00 0.00 58.31 52.35 1veh n LYS 50 Cb 0.52 -2.44 -0.00 0.00 0.02 0.00 0.00 35.03 33.13 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 -3.45 3.71 -0.02 3.14 -0.00 -1.22 -4.05 118.68 116.79 1veh s LEU 51 Ca 0.37 0.79 -0.01 0.00 -0.00 0.00 0.00 54.13 55.28 1veh s LEU 51 Cb 0.14 -3.72 0.01 0.00 -0.00 0.00 0.00 46.19 42.62 1veh s LEU 51 CO -0.03 -0.53 0.05 0.00 -0.00 0.00 0.00 176.35 175.84 1veh s GLN 52 N -4.64 0.05 0.00 1.48 -2.07 -1.26 -4.87 119.66 108.35 1veh s GLN 52 Ca 0.46 0.08 0.00 0.00 -1.82 0.00 0.00 55.36 54.08 1veh s GLN 52 Cb -0.10 0.00 0.00 0.00 -1.09 0.00 0.00 33.01 31.82 1veh s GLN 52 CO 0.43 -0.02 0.00 0.41 -1.32 0.00 0.00 175.29 174.79 1veh n GLY 53 N 3.16 0.73 0.12 2.60 0.00 -1.26 -3.32 105.19 107.23 1veh n GLY 53 Ca -0.14 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 1veh n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1veh h SER 54 N 0.00 0.49 -3.91 1.61 0.02 -1.91 -3.46 113.55 106.39 1veh h SER 54 Ca 0.00 -0.95 0.00 0.00 -0.84 0.00 0.00 61.79 60.00 1veh h SER 54 Cb 0.51 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1veh h SER 54 CO 0.00 1.43 -0.28 0.00 -1.14 0.00 0.00 176.83 176.84 1veh n THR 56 N 0.00 0.52 -1.51 0.00 5.66 -1.26 -4.79 114.28 112.90 1veh n THR 56 Ca 0.00 -0.76 -0.32 0.00 -3.05 0.00 0.00 64.05 59.92 1veh n THR 56 Cb 0.00 0.92 -0.16 0.00 -1.55 0.00 0.00 70.33 69.54 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 1.05 -0.01 -1.20 1.09 7.64 -1.26 -4.20 113.62 116.72 1veh n SER 57 Ca 0.14 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1veh n SER 57 Cb 0.49 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 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 0.15 0.00 -0.04 0.00 0.13 -1.99 -3.25 132.00 127.01 1veh h PRO 59 Ca 0.00 -0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1veh h PRO 59 Cb 0.73 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.80 1veh h PRO 59 CO 0.00 0.75 -0.53 0.77 -0.23 0.00 0.00 178.00 178.76 1veh h SER 60 N 0.00 -1.66 -0.49 1.44 0.02 -1.93 1.06 113.55 111.99 1veh h SER 60 Ca -0.01 0.19 0.12 0.00 -0.84 0.00 0.00 61.79 61.25 1veh h SER 60 Cb 1.33 0.64 -0.02 0.00 0.14 0.00 0.00 62.40 64.48 1veh h SER 60 CO 0.10 -0.51 0.34 0.28 -1.14 0.00 0.00 176.83 175.90 1veh h SER 61 N -0.65 0.12 0.38 3.07 0.02 -1.74 0.78 113.55 115.54 1veh h SER 61 Ca 0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1veh h SER 61 Cb 0.71 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1veh h SER 61 CO -0.38 0.07 -0.18 0.40 -1.14 0.00 0.00 176.83 175.60 1veh h ILE 62 N 0.14 0.00 0.00 3.27 2.04 -0.64 1.09 117.51 123.41 1veh h ILE 62 Ca 0.23 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1veh h ILE 62 Cb 0.74 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1veh h ILE 62 CO -0.03 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.74 1veh n ILE 63 N -4.37 1.18 -0.10 -0.67 5.41 0.33 0.18 119.36 121.32 1veh n ILE 63 Ca -0.06 0.63 -0.19 0.00 1.00 0.00 0.00 62.75 64.13 1veh n ILE 63 Cb 0.20 -1.62 -0.10 0.00 -0.71 0.00 0.00 39.64 37.41 1veh n ILE 63 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1veh h THR 64 N 0.00 0.77 0.00 1.39 2.02 0.74 -3.28 112.91 114.55 1veh h THR 64 Ca 0.00 -2.00 0.00 0.00 0.77 0.00 0.00 66.41 65.18 1veh h THR 64 Cb 0.04 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1veh h THR 64 CO 0.00 0.26 -0.45 0.18 0.37 0.00 0.00 175.52 175.88 1veh n LEU 65 N -4.46 1.13 -0.19 2.58 4.77 0.38 -2.48 117.00 118.73 1veh n LEU 65 Ca -0.28 0.35 -0.05 0.00 -0.03 0.00 0.00 56.01 56.00 1veh n LEU 65 Cb 0.62 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1veh n LEU 65 CO 0.17 -0.43 0.49 1.17 -1.33 0.00 0.00 177.39 177.47 1veh n LYS 66 N -3.69 -0.20 -0.13 3.23 4.81 0.47 0.13 118.16 122.78 1veh n LYS 66 Ca -0.06 1.23 -0.10 0.00 -0.87 0.00 0.00 58.31 58.51 1veh n LYS 66 Cb 0.23 -1.83 -0.02 0.00 0.02 0.00 0.00 35.03 33.43 1veh n LYS 66 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1veh h SER 67 N 0.00 0.65 -0.67 3.14 0.87 -0.85 -2.54 113.55 114.16 1veh h SER 67 Ca 0.07 -0.31 0.13 0.00 -1.23 0.00 0.00 61.79 60.46 1veh h SER 67 Cb 0.19 -0.18 -0.13 0.00 -0.44 0.00 0.00 62.40 61.85 1veh h SER 67 CO -0.43 0.80 -0.24 1.23 -0.53 0.00 0.00 176.83 177.66 1veh h GLY 68 N 0.49 0.29 0.95 5.77 0.00 -0.66 1.50 103.07 111.41 1veh h GLY 68 Ca 0.11 0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.70 1veh h GLY 68 CO 0.02 -0.25 -0.40 -2.22 0.00 0.00 0.00 176.54 173.69 1veh h ILE 69 N -0.06 0.12 -0.30 2.60 2.04 0.11 0.82 117.51 122.86 1veh h ILE 69 Ca 0.30 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 66.15 1veh h ILE 69 Cb 0.53 0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 36.67 1veh h ILE 69 CO -0.72 0.01 -0.34 -0.61 0.00 0.00 0.00 178.15 176.49 1veh h GLN 70 N -1.19 -0.30 -0.02 2.37 4.15 -0.84 -0.91 115.11 118.36 1veh h GLN 70 Ca -0.11 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.35 1veh h GLN 70 Cb 0.87 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.57 1veh h GLN 70 CO 0.19 -0.20 -0.46 -0.91 -1.93 0.00 0.00 178.83 175.51 1veh h ASN 71 N -0.32 -1.43 -0.90 -0.69 2.35 0.21 -1.36 115.58 113.45 1veh h ASN 71 Ca 0.14 0.17 0.16 0.00 -0.55 0.00 0.00 56.30 56.22 1veh h ASN 71 Cb 0.55 0.55 -0.16 0.00 0.05 0.00 0.00 38.32 39.31 1veh h ASN 71 CO -0.47 -0.48 -0.29 -0.03 -1.65 0.00 0.00 177.43 174.50 1veh h MET 72 N -0.60 -0.02 -0.33 0.81 4.05 0.02 1.27 114.93 120.12 1veh h MET 72 Ca 0.04 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.53 1veh h MET 72 Cb 0.68 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.41 1veh h MET 72 CO -0.35 -0.01 -0.14 1.25 0.23 0.00 0.00 176.91 177.90 1veh h LEU 73 N -0.02 -0.46 -0.17 3.39 5.85 -0.16 0.56 115.31 124.29 1veh h LEU 73 Ca 0.38 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 1veh h LEU 73 Cb 0.63 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1veh h LEU 73 CO -0.92 -0.17 0.07 1.56 -0.34 0.00 0.00 178.44 178.64 1veh h GLN 74 N -0.08 0.25 -0.82 1.25 7.50 0.93 0.30 115.11 124.46 1veh h GLN 74 Ca 0.17 -0.05 0.19 0.00 0.50 0.00 0.00 58.65 59.46 1veh h GLN 74 Cb 0.33 -0.04 -0.12 0.00 0.05 0.00 0.00 27.48 27.70 1veh h GLN 74 CO -0.38 0.34 0.27 0.35 -1.50 0.00 0.00 178.83 177.91 1veh h PHE 75 N 0.12 0.44 0.11 2.96 3.04 0.22 -2.53 116.94 121.29 1veh h PHE 75 Ca 0.06 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1veh h PHE 75 Cb 0.18 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1veh h PHE 75 CO -0.01 -0.07 -0.06 1.88 -2.02 0.00 0.00 178.31 178.03 1veh h TYR 76 N 0.33 -0.14 -3.43 0.41 0.05 -0.66 -3.44 116.97 110.08 1veh h TYR 76 Ca 0.48 -0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.60 1veh h TYR 76 Cb 0.87 0.05 -0.29 0.00 1.01 0.00 0.00 36.73 38.37 1veh h TYR 76 CO -0.21 0.23 -0.73 0.42 -1.05 0.00 0.00 178.16 176.82 1veh s ILE 77 N -2.60 3.18 -1.51 -2.88 1.01 0.10 -4.96 121.20 113.55 1veh s ILE 77 Ca -0.09 -0.73 0.23 0.00 0.00 0.00 0.00 60.65 60.06 1veh s ILE 77 Cb -0.00 -2.52 0.44 0.00 0.01 0.00 0.00 42.46 40.38 1veh s ILE 77 CO 0.34 0.32 1.75 -0.81 0.00 0.00 0.00 174.94 176.53 1veh n PRO 78 N 4.75 0.38 0.10 2.79 -0.04 -1.17 -3.73 135.00 138.09 1veh n PRO 78 Ca -0.17 0.06 -0.04 0.00 -0.04 0.00 0.00 63.50 63.31 1veh n PRO 78 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.25 -6.82 0.54 4.39 -1.91 -3.45 114.58 107.08 1veh h GLU 79 Ca 0.00 0.02 -0.53 0.00 0.34 0.00 0.00 59.36 59.18 1veh h GLU 79 Cb 0.18 0.06 0.21 0.00 -0.10 0.00 0.00 28.75 29.10 1veh h GLU 79 CO 0.00 -0.17 -0.47 1.55 -1.16 0.00 0.00 179.01 178.77 1veh n VAL 80 N -2.94 0.23 0.00 3.13 3.14 -1.24 -4.41 118.33 116.24 1veh n VAL 80 Ca -0.03 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 1veh n VAL 80 Cb 0.10 -0.68 0.00 0.00 -1.06 0.00 0.00 33.84 32.20 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 -1.85 0.14 -3.84 1.45 1.02 -0.92 -4.78 120.64 111.86 1veh n GLU 81 Ca 0.08 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.17 1veh n GLU 81 Cb 0.53 -0.98 0.01 0.00 -0.02 0.00 0.00 31.44 30.98 1veh n GLU 81 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1veh s GLY 82 N -3.93 0.12 0.13 0.62 0.00 -1.26 -4.88 107.32 98.11 1veh s GLY 82 Ca 0.00 -0.37 0.11 0.00 0.00 0.00 0.00 44.72 44.46 1veh s GLY 82 CO 0.00 1.23 -0.26 -1.34 0.00 0.00 0.00 173.10 172.73 1veh s VAL 83 N -2.45 2.31 -0.02 1.40 -7.23 -1.26 -0.38 120.40 112.76 1veh s VAL 83 Ca 0.18 -1.73 -0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1veh s VAL 83 Cb -0.03 -2.02 0.03 0.00 0.56 0.00 0.00 36.38 34.92 1veh s VAL 83 CO 0.06 0.10 0.04 -0.70 -0.31 0.00 0.00 175.10 174.29 1veh s GLU 84 N -2.05 -0.03 -1.20 4.82 -6.30 -1.09 -4.96 118.70 107.89 1veh s GLU 84 Ca 0.14 0.20 -0.22 0.00 -2.50 0.00 0.00 54.97 52.59 1veh s GLU 84 Cb -0.10 -0.24 -0.07 0.00 0.00 0.00 0.00 34.13 33.72 1veh s GLU 84 CO 0.06 -0.17 1.92 -1.14 0.02 0.00 0.00 175.26 175.95 1veh s GLN 85 N 1.06 2.62 0.49 4.30 -0.44 -1.21 -1.46 119.66 125.02 1veh s GLN 85 Ca -0.09 -1.25 -0.23 0.00 -2.50 0.00 0.00 55.36 51.29 1veh s GLN 85 Cb -0.13 -5.27 -0.06 0.00 -1.64 0.00 0.00 33.01 25.91 1veh s GLN 85 CO -0.03 -3.84 1.33 0.14 0.50 0.00 0.00 175.29 173.38 1veh s VAL 86 N 10.44 2.35 -0.01 1.34 -7.23 0.28 -4.90 120.40 122.67 1veh s VAL 86 Ca 0.67 0.28 -0.03 0.00 -1.81 0.00 0.00 61.98 61.09 1veh s VAL 86 Cb -0.00 -3.15 -0.01 0.00 0.56 0.00 0.00 36.38 33.78 1veh s VAL 86 CO 0.13 0.01 -0.06 -0.24 -0.31 0.00 0.00 175.10 174.63 1veh n SER 87 N -0.60 0.60 0.00 4.85 2.88 -1.26 -4.21 113.62 115.89 1veh n SER 87 Ca 0.08 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1veh n SER 87 Cb 0.45 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 2.60 1.59 3.72 0.46 0.00 -1.26 -4.87 105.19 107.43 1veh n GLY 88 Ca -0.03 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 1veh n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1veh s PRO 89 N -2.11 4.51 -0.08 1.61 0.04 -1.26 -4.36 135.00 133.34 1veh s PRO 89 Ca 0.00 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 1veh s PRO 89 Cb 0.00 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1veh s PRO 89 CO 0.00 -0.10 0.03 0.45 0.04 0.00 0.00 177.00 177.42 1veh n SER 90 N 3.24 -6.35 -4.76 6.66 2.88 -1.26 -4.86 113.62 109.16 1veh n SER 90 Ca 0.06 0.87 -0.36 0.00 -1.33 0.00 0.00 58.87 58.11 1veh n SER 90 Cb 0.47 -2.73 0.01 0.00 -0.75 0.00 0.00 64.21 61.21 1veh n SER 90 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1veh s SER 91 N -0.80 5.64 0.00 -3.46 0.15 -1.26 -5.22 113.70 108.75 1veh s SER 91 Ca -0.04 2.36 0.00 0.00 0.70 0.00 0.00 55.95 58.97 1veh s SER 91 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1veh s SER 91 CO 0.25 -1.28 0.00 0.61 1.20 0.00 0.00 173.24 174.01