#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 0.40 -0.28 1.61 0.01 -1.26 -5.16 113.70 109.03 1veh s SER 2 Ca 0.00 -0.73 -0.20 0.00 1.31 0.00 0.00 55.95 56.33 1veh s SER 2 Cb 0.00 0.14 0.08 0.00 0.21 0.00 0.00 66.02 66.45 1veh s SER 2 CO 0.00 -0.43 0.74 -0.55 0.41 0.00 0.00 173.24 173.42 1veh s SER 3 N -2.13 -0.81 0.00 2.44 0.15 -1.26 -5.14 113.70 106.95 1veh s SER 3 Ca -0.05 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1veh s SER 3 Cb -0.02 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 1veh s SER 3 CO -0.05 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1veh n GLY 4 N 3.49 3.67 3.84 9.45 0.00 -1.26 -5.18 105.19 119.19 1veh n GLY 4 Ca -0.17 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 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 0.94 5.15 0.24 1.61 0.15 -1.26 -5.13 113.70 115.40 1veh s SER 5 Ca 0.00 -0.58 0.10 0.00 0.70 0.00 0.00 55.95 56.16 1veh s SER 5 Cb 0.00 -0.87 -0.05 0.00 -1.71 0.00 0.00 66.02 63.39 1veh s SER 5 CO 0.00 -0.39 -0.16 -0.94 1.20 0.00 0.00 173.24 172.94 1veh s SER 6 N -3.99 3.04 -0.06 5.45 1.04 -1.26 -4.95 113.70 112.97 1veh s SER 6 Ca 0.42 -1.04 -0.01 0.00 0.48 0.00 0.00 55.95 55.80 1veh s SER 6 Cb -0.05 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.87 1veh s SER 6 CO 0.26 -0.09 0.03 0.61 0.98 0.00 0.00 173.24 175.03 1veh n GLY 7 N -0.50 -1.09 0.08 7.32 0.00 -1.26 -4.97 105.19 104.77 1veh n GLY 7 Ca -0.07 0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 1.70 1.88 -3.16 1.61 7.64 -1.26 -5.03 113.62 117.00 1veh n SER 8 Ca -0.05 0.46 0.05 0.00 1.01 0.00 0.00 58.87 60.35 1veh n SER 8 Cb 0.28 -0.81 -0.02 0.00 -1.01 0.00 0.00 64.21 62.65 1veh n SER 8 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1veh s GLU 9 N -2.60 0.09 0.61 1.43 -6.30 -1.26 -5.14 118.70 105.53 1veh s GLU 9 Ca -0.23 0.16 0.00 0.00 -2.50 0.00 0.00 54.97 52.40 1veh s GLU 9 Cb 0.04 0.09 0.00 0.00 0.00 0.00 0.00 34.13 34.26 1veh s GLU 9 CO 0.35 -0.09 0.00 -1.91 0.02 0.00 0.00 175.26 173.63 1veh n GLU 10 N 5.39 -4.24 -1.14 4.30 2.13 -1.26 -4.82 120.64 121.00 1veh n GLU 10 Ca -0.08 3.29 -0.36 0.00 0.66 0.00 0.00 57.16 60.67 1veh n GLU 10 Cb 0.54 -4.12 0.07 0.00 0.27 0.00 0.00 31.44 28.21 1veh n GLU 10 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1veh n ASP 11 N -2.64 -2.07 -1.20 4.31 8.00 -1.26 -5.01 116.55 116.69 1veh n ASP 11 Ca 0.00 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.00 1veh n ASP 11 Cb 0.50 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1veh n ASP 11 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1veh n ASP 12 N 0.12 0.74 0.17 -2.24 -0.08 -1.26 -4.96 116.55 109.03 1veh n ASP 12 Ca 0.08 -0.60 0.12 0.00 -1.51 0.00 0.00 54.79 52.88 1veh n ASP 12 Cb 0.51 0.00 0.16 0.00 2.34 0.00 0.00 41.12 44.13 1veh n ASP 12 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1veh h GLU 13 N 0.00 0.00 0.10 -0.67 5.08 -1.99 -2.63 114.58 114.47 1veh h GLU 13 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1veh h GLU 13 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1veh h GLU 13 CO 0.00 0.00 -1.54 -0.24 -1.00 0.00 0.00 179.01 176.23 1veh h VAL 14 N 0.00 1.13 -0.04 3.13 3.04 -1.99 -2.91 116.25 118.62 1veh h VAL 14 Ca 0.00 -2.80 -0.02 0.00 -1.01 0.00 0.00 66.70 62.87 1veh h VAL 14 Cb 0.95 2.72 -0.00 0.00 -2.01 0.00 0.00 31.29 32.95 1veh h VAL 14 CO 0.00 0.80 -0.06 0.58 -1.01 0.00 0.00 177.57 177.88 1veh h VAL 15 N 0.06 1.42 -0.13 1.51 2.07 -1.95 -2.32 116.25 116.91 1veh h VAL 15 Ca -0.24 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 65.96 1veh h VAL 15 Cb 2.00 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.99 1veh h VAL 15 CO 0.15 0.36 0.09 0.00 0.02 0.00 0.00 177.57 178.19 1veh h ALA 16 N 0.48 1.97 0.47 1.67 0.00 -1.61 -1.58 119.26 120.66 1veh h ALA 16 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1veh h ALA 16 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1veh h ALA 16 CO 0.01 0.02 -0.23 1.98 0.00 0.00 0.00 179.25 181.04 1veh h MET 17 N 0.13 -0.61 -0.48 0.00 4.05 -1.35 -2.54 114.93 114.13 1veh h MET 17 Ca 0.05 0.04 0.09 0.00 -0.28 0.00 0.00 59.70 59.61 1veh h MET 17 Cb 0.06 0.14 -0.10 0.00 -0.80 0.00 0.00 31.60 30.89 1veh h MET 17 CO -0.01 -0.41 -0.29 0.82 0.23 0.00 0.00 176.91 177.26 1veh h ILE 18 N -0.78 0.25 -0.90 1.77 2.04 -1.22 0.15 117.51 118.82 1veh h ILE 18 Ca -0.06 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.96 1veh h ILE 18 Cb 0.48 0.25 -0.16 0.00 -0.74 0.00 0.00 36.82 36.65 1veh h ILE 18 CO 0.11 0.00 -0.28 0.11 0.00 0.00 0.00 178.15 178.09 1veh h LYS 19 N -0.18 -0.02 -0.28 2.37 1.57 -1.33 0.73 116.57 119.44 1veh h LYS 19 Ca 0.21 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1veh h LYS 19 Cb 0.52 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1veh h LYS 19 CO -0.59 -0.01 0.04 1.49 -0.57 0.00 0.00 179.45 179.81 1veh h GLU 20 N -0.02 0.13 -0.13 3.15 4.81 -0.30 1.53 114.58 123.76 1veh h GLU 20 Ca 0.39 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.65 1veh h GLU 20 Cb 0.64 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1veh h GLU 20 CO -0.92 0.09 0.18 1.25 -0.73 0.00 0.00 179.01 178.88 1veh h LEU 21 N 0.14 0.00 0.01 1.64 6.46 0.14 2.07 115.31 125.77 1veh h LEU 21 Ca 0.13 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.66 1veh h LEU 21 Cb 0.15 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 1veh h LEU 21 CO -0.19 0.00 -1.25 -0.07 -0.62 0.00 0.00 178.44 176.31 1veh h LEU 22 N 0.00 0.02 -1.22 2.25 -0.00 0.22 -3.37 115.31 113.21 1veh h LEU 22 Ca 0.06 -0.55 -0.04 0.00 -0.00 0.00 0.00 57.88 57.36 1veh h LEU 22 Cb 0.42 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.05 1veh h LEU 22 CO -0.00 1.49 0.14 0.44 -0.00 0.00 0.00 178.44 180.51 1veh h ASP 23 N -0.95 0.62 0.00 -0.43 3.32 0.29 0.20 116.42 119.47 1veh h ASP 23 Ca -0.34 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1veh h ASP 23 Cb 1.33 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1veh h ASP 23 CO -0.19 0.60 0.00 0.35 -1.72 0.00 0.00 179.24 178.28 1veh n THR 24 N -4.32 0.00 -2.70 0.35 -2.24 0.69 -4.62 114.28 101.44 1veh n THR 24 Ca 0.03 0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 62.26 1veh n THR 24 Cb 0.19 -1.03 0.09 0.00 -2.10 0.00 0.00 70.33 67.48 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 -0.01 1.28 0.00 -0.78 1.85 -1.25 -4.89 116.66 112.87 1veh n ARG 25 Ca 0.00 -2.24 0.00 0.00 -1.00 0.00 0.00 57.85 54.61 1veh n ARG 25 Cb 0.00 -0.42 0.00 0.00 -1.05 0.00 0.00 32.46 30.99 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 -0.66 0.00 -0.03 8.89 5.41 -1.07 -4.46 119.36 127.44 1veh n ILE 26 Ca -0.02 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.60 1veh n ILE 26 Cb 0.84 -1.30 -0.09 0.00 -0.71 0.00 0.00 39.64 38.39 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 0.14 0.00 0.38 2.43 -0.89 -1.56 114.38 114.88 1veh h ARG 27 Ca 0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1veh h ARG 27 Cb 0.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1veh h ARG 27 CO 0.00 0.60 0.00 -0.35 -1.51 0.00 0.00 179.97 178.71 1veh n PRO 28 N -4.73 0.66 -0.05 0.20 -0.04 -1.26 -3.24 135.00 126.54 1veh n PRO 28 Ca -0.08 0.01 -0.04 0.00 -0.04 0.00 0.00 63.50 63.36 1veh n PRO 28 Cb 0.30 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.06 0.91 -0.33 0.52 -1.04 -1.09 -4.23 114.28 107.97 1veh n THR 29 Ca 0.16 0.30 0.25 0.00 -2.04 0.00 0.00 64.05 62.73 1veh n THR 29 Cb 0.10 -2.05 0.49 0.00 -1.82 0.00 0.00 70.33 67.06 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 -0.63 0.15 -0.48 12.58 -1.51 -1.36 0.60 116.25 125.60 1veh h VAL 30 Ca 0.00 -0.05 0.09 0.00 -1.23 0.00 0.00 66.70 65.51 1veh h VAL 30 Cb 0.48 -0.01 -0.10 0.00 -2.13 0.00 0.00 31.29 29.52 1veh h VAL 30 CO 0.00 0.03 -0.28 1.56 -1.23 0.00 0.00 177.57 177.64 1veh h GLN 31 N 0.15 -0.17 0.00 5.19 4.20 -1.36 1.28 115.11 124.39 1veh h GLN 31 Ca 0.76 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.48 1veh h GLN 31 Cb 1.83 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.65 1veh h GLN 31 CO -0.71 -0.11 0.20 0.93 -0.67 0.00 0.00 178.83 178.47 1veh h GLU 32 N -0.17 0.00 -0.56 1.46 5.08 0.03 0.64 114.58 121.06 1veh h GLU 32 Ca 0.21 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.25 1veh h GLU 32 Cb 0.52 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.57 1veh h GLU 32 CO -0.58 0.00 0.05 -3.47 -1.00 0.00 0.00 179.01 174.00 1veh n ASP 33 N -2.69 3.41 -2.59 1.42 -0.08 0.43 -5.01 116.55 111.45 1veh n ASP 33 Ca -0.02 -3.77 -0.04 0.00 -1.51 0.00 0.00 54.79 49.46 1veh n ASP 33 Cb 0.24 -0.67 -0.03 0.00 2.34 0.00 0.00 41.12 43.00 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 -1.07 -4.49 0.00 0.27 0.00 0.22 -4.76 105.19 95.37 1veh n GLY 34 Ca 0.42 1.17 0.00 0.00 0.00 0.00 0.00 46.02 47.61 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 1.88 3.33 3.31 -0.02 0.00 -1.24 -3.83 105.19 108.61 1veh n GLY 35 Ca -0.27 -0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 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 6.07 -0.42 1.61 -1.08 -1.26 -1.95 116.67 119.65 1veh s ASP 36 Ca 0.00 -1.71 -0.23 0.00 -0.52 0.00 0.00 52.55 50.09 1veh s ASP 36 Cb 0.00 -2.16 0.02 0.00 -1.46 0.00 0.00 42.92 39.32 1veh s ASP 36 CO 0.00 -0.78 0.76 -0.69 0.52 0.00 0.00 175.17 174.98 1veh s VAL 37 N 1.56 4.70 -0.22 1.11 1.01 -1.26 -3.18 120.40 124.12 1veh s VAL 37 Ca 0.04 0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1veh s VAL 37 Cb -0.28 -4.26 0.05 0.00 0.00 0.00 0.00 36.38 31.89 1veh s VAL 37 CO 0.03 -0.60 -0.10 -0.63 0.00 0.00 0.00 175.10 173.80 1veh s ILE 38 N 3.16 1.75 -0.53 2.22 1.09 -1.26 -4.82 121.20 122.81 1veh s ILE 38 Ca 0.29 -1.20 -0.28 0.00 -1.10 0.00 0.00 60.65 58.37 1veh s ILE 38 Cb -0.13 -1.87 0.00 0.00 -1.06 0.00 0.00 42.46 39.41 1veh s ILE 38 CO 0.20 0.07 1.57 -0.47 -0.10 0.00 0.00 174.94 176.22 1veh s TYR 39 N 1.33 2.08 -0.43 3.97 5.04 -1.25 -1.36 117.35 126.72 1veh s TYR 39 Ca -0.04 0.56 0.02 0.00 -2.44 0.00 0.00 57.07 55.18 1veh s TYR 39 Cb -0.18 -4.28 0.13 0.00 0.35 0.00 0.00 41.96 37.98 1veh s TYR 39 CO -0.07 -2.20 0.21 1.03 -1.34 0.00 0.00 175.55 173.17 1veh s ARG 40 N 5.85 1.33 0.00 4.97 1.81 0.29 -4.99 118.95 128.20 1veh s ARG 40 Ca 0.60 -1.96 0.00 0.00 -1.72 0.00 0.00 55.73 52.65 1veh s ARG 40 Cb -0.13 -2.51 0.00 0.00 -0.45 0.00 0.00 34.95 31.86 1veh s ARG 40 CO 0.26 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.17 1veh n GLY 41 N 3.72 1.97 2.73 -3.53 0.00 -1.26 -4.54 105.19 104.27 1veh n GLY 41 Ca 0.06 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.17 -0.14 0.00 1.61 2.19 -1.26 -0.86 117.98 119.36 1veh s PHE 42 Ca 0.00 0.17 -0.09 0.00 0.33 0.00 0.00 56.93 57.34 1veh s PHE 42 Cb 0.00 -0.42 0.01 0.00 -1.31 0.00 0.00 43.02 41.29 1veh s PHE 42 CO 0.00 -0.51 0.18 -1.83 1.83 0.00 0.00 175.22 174.89 1veh s GLU 43 N 2.27 0.53 -1.51 10.12 -1.05 -1.21 -4.82 118.70 123.03 1veh s GLU 43 Ca 0.05 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.51 1veh s GLU 43 Cb -0.15 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 1veh s GLU 43 CO -0.10 -0.13 0.00 -0.25 0.95 0.00 0.00 175.26 175.73 1veh n ASP 44 N 1.38 -3.83 0.00 0.83 8.00 -1.26 -0.83 116.55 120.85 1veh n ASP 44 Ca -0.22 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1veh n ASP 44 Cb 0.56 -3.50 0.00 0.00 -0.02 0.00 0.00 41.12 38.15 1veh n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1veh n GLY 45 N -0.25 1.97 3.54 0.44 0.00 -1.26 -4.50 105.19 105.12 1veh n GLY 45 Ca -0.14 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.07 -2.47 -0.61 2.08 -0.01 -2.81 119.36 115.48 1veh n ILE 46 Ca 0.00 -0.62 -0.40 0.00 0.56 0.00 0.00 62.75 62.29 1veh n ILE 46 Cb 0.00 -2.28 -0.04 0.00 -0.75 0.00 0.00 39.64 36.57 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 11.50 3.48 -0.44 1.39 1.01 -1.11 -3.36 120.40 132.87 1veh s VAL 47 Ca 1.07 1.48 -0.16 0.00 0.00 0.00 0.00 61.98 64.37 1veh s VAL 47 Cb -0.43 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.05 1veh s VAL 47 CO 0.31 0.35 0.37 -0.13 0.00 0.00 0.00 175.10 176.00 1veh s ARG 48 N -1.42 3.00 -0.19 2.72 0.52 -0.04 -2.55 118.95 120.99 1veh s ARG 48 Ca 0.45 -1.09 0.01 0.00 -0.52 0.00 0.00 55.73 54.57 1veh s ARG 48 Cb -0.32 -4.04 0.02 0.00 0.52 0.00 0.00 34.95 31.13 1veh s ARG 48 CO 0.41 -0.88 -0.19 -0.51 0.02 0.00 0.00 175.30 174.15 1veh s LEU 49 N 1.77 2.22 -1.38 2.53 2.01 -0.61 0.10 118.68 125.33 1veh s LEU 49 Ca 0.06 -0.69 -0.12 0.00 0.01 0.00 0.00 54.13 53.39 1veh s LEU 49 Cb -0.21 -1.49 0.10 0.00 0.01 0.00 0.00 46.19 44.60 1veh s LEU 49 CO 0.09 -0.01 2.06 1.17 1.01 0.00 0.00 176.35 180.67 1veh n LYS 50 N 4.61 3.21 -3.71 1.70 4.81 -0.47 -1.56 118.16 126.75 1veh n LYS 50 Ca -0.21 -3.04 -0.32 0.00 -0.87 0.00 0.00 58.31 53.88 1veh n LYS 50 Cb 0.50 -3.13 -0.05 0.00 0.02 0.00 0.00 35.03 32.37 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 1.18 4.29 -0.27 3.14 0.05 -1.19 -4.04 118.68 121.85 1veh s LEU 51 Ca 0.44 0.55 -0.08 0.00 0.05 0.00 0.00 54.13 55.09 1veh s LEU 51 Cb 0.12 -3.18 0.12 0.00 -2.05 0.00 0.00 46.19 41.20 1veh s LEU 51 CO -0.04 0.10 0.57 -1.10 -0.55 0.00 0.00 176.35 175.32 1veh s GLN 52 N -2.50 0.50 0.00 1.48 -0.21 -1.26 -4.84 119.66 112.82 1veh s GLN 52 Ca 0.38 1.28 0.00 0.00 0.02 0.00 0.00 55.36 57.04 1veh s GLN 52 Cb -0.12 0.66 0.00 0.00 1.00 0.00 0.00 33.01 34.55 1veh s GLN 52 CO 0.24 -0.25 0.00 0.41 -2.12 0.00 0.00 175.29 173.56 1veh n GLY 53 N 5.43 1.61 0.33 3.09 0.00 -1.26 -3.77 105.19 110.62 1veh n GLY 53 Ca -0.10 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 45.98 1veh n GLY 53 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1veh h SER 54 N 0.03 -0.31 -3.92 1.61 0.87 -1.86 -3.47 113.55 106.50 1veh h SER 54 Ca 0.00 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1veh h SER 54 Cb 0.00 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1veh h SER 54 CO 0.00 -0.31 -0.68 0.00 -0.53 0.00 0.00 176.83 175.31 1veh n THR 56 N -2.06 0.21 -0.38 0.00 5.66 -1.26 -4.32 114.28 112.12 1veh n THR 56 Ca 0.00 -0.24 -0.04 0.00 -3.05 0.00 0.00 64.05 60.72 1veh n THR 56 Cb 0.28 0.11 -0.01 0.00 -1.55 0.00 0.00 70.33 69.17 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 -0.01 -0.77 -4.02 1.09 7.64 -1.26 -4.22 113.62 112.06 1veh n SER 57 Ca 0.10 1.69 -0.24 0.00 1.01 0.00 0.00 58.87 61.43 1veh n SER 57 Cb 0.19 -0.33 -0.17 0.00 -1.01 0.00 0.00 64.21 62.90 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 6.96 0.00 0.00 0.00 0.13 -1.91 -3.30 132.00 133.88 1veh h PRO 59 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1veh h PRO 59 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1veh h PRO 59 CO 0.47 0.03 0.00 0.43 -0.23 0.00 0.00 178.00 178.70 1veh n SER 60 N -3.12 0.00 -0.39 1.44 7.64 -1.26 0.78 113.62 118.72 1veh n SER 60 Ca 0.02 0.84 0.31 0.00 1.01 0.00 0.00 58.87 61.05 1veh n SER 60 Cb 0.43 -0.34 0.58 0.00 -1.01 0.00 0.00 64.21 63.88 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 0.34 0.25 6.43 0.87 -1.99 0.77 113.55 120.22 1veh h SER 61 Ca 0.00 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1veh h SER 61 Cb 0.00 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1veh h SER 61 CO 0.00 -0.16 -0.12 0.40 -0.53 0.00 0.00 176.83 176.42 1veh h ILE 62 N 0.18 0.80 0.00 2.23 2.04 -1.51 0.78 117.51 122.03 1veh h ILE 62 Ca 0.77 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 66.25 1veh h ILE 62 Cb 2.18 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 1veh h ILE 62 CO -0.48 0.08 0.00 -0.38 0.00 0.00 0.00 178.15 177.38 1veh n ILE 63 N -5.15 1.25 -0.10 -0.67 5.41 0.23 0.15 119.36 120.49 1veh n ILE 63 Ca -0.09 0.46 -0.18 0.00 1.00 0.00 0.00 62.75 63.94 1veh n ILE 63 Cb 0.22 -1.39 -0.09 0.00 -0.71 0.00 0.00 39.64 37.67 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 -1.89 1.50 -0.06 1.39 -1.04 0.11 -3.62 114.28 110.67 1veh n THR 64 Ca 0.01 0.02 -0.04 0.00 -2.04 0.00 0.00 64.05 62.00 1veh n THR 64 Cb 0.10 -2.13 -0.01 0.00 -1.82 0.00 0.00 70.33 66.46 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 -4.47 1.34 -0.30 -4.42 4.32 0.26 -2.36 117.00 111.37 1veh n LEU 65 Ca -0.27 0.45 -0.08 0.00 -0.02 0.00 0.00 56.01 56.09 1veh n LEU 65 Cb 0.58 -0.74 -0.07 0.00 -1.62 0.00 0.00 43.42 41.56 1veh n LEU 65 CO 0.16 -0.44 0.49 0.50 -1.22 0.00 0.00 177.39 176.87 1veh h LYS 66 N -0.73 -0.02 0.54 3.23 3.64 0.13 1.47 116.57 124.83 1veh h LYS 66 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1veh h LYS 66 Cb 0.47 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1veh h LYS 66 CO 0.00 -0.01 -0.26 1.03 -2.27 0.00 0.00 179.45 177.94 1veh h SER 67 N -0.02 -0.61 -0.98 4.20 0.87 -0.92 -0.90 113.55 115.19 1veh h SER 67 Ca 0.11 -0.05 0.24 0.00 -1.23 0.00 0.00 61.79 60.87 1veh h SER 67 Cb 0.32 0.16 -0.18 0.00 -0.44 0.00 0.00 62.40 62.25 1veh h SER 67 CO -0.68 -0.24 -0.07 0.61 -0.53 0.00 0.00 176.83 175.91 1veh n GLY 68 N -0.51 -1.43 0.10 5.77 0.00 -0.80 0.45 105.19 108.77 1veh n GLY 68 Ca -0.11 0.99 -0.13 0.00 0.00 0.00 0.00 46.02 46.77 1veh n GLY 68 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1veh h ILE 69 N 0.00 1.06 -0.33 -0.61 2.04 0.21 -1.38 117.51 118.49 1veh h ILE 69 Ca 0.55 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.75 1veh h ILE 69 Cb 1.05 1.52 -0.08 0.00 -0.74 0.00 0.00 36.82 38.57 1veh h ILE 69 CO -0.95 0.17 -0.42 -0.61 0.00 0.00 0.00 178.15 176.34 1veh h GLN 70 N -0.49 -0.35 0.14 2.37 4.15 0.15 0.93 115.11 122.01 1veh h GLN 70 Ca -0.02 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.45 1veh h GLN 70 Cb 0.40 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 1veh h GLN 70 CO 0.02 -0.23 -0.39 -0.97 -1.93 0.00 0.00 178.83 175.33 1veh h ASN 71 N -0.36 -1.14 -0.38 -0.69 -1.24 -0.16 -1.93 115.58 109.67 1veh h ASN 71 Ca 0.12 0.13 0.08 0.00 0.71 0.00 0.00 56.30 57.34 1veh h ASN 71 Cb 0.59 0.43 -0.08 0.00 0.73 0.00 0.00 38.32 39.98 1veh h ASN 71 CO -0.53 -0.47 -0.20 -0.03 -1.29 0.00 0.00 177.43 174.91 1veh h MET 72 N -0.64 -0.13 -0.90 6.67 4.05 -0.31 0.42 114.93 124.10 1veh h MET 72 Ca 0.02 0.01 0.25 0.00 -0.28 0.00 0.00 59.70 59.70 1veh h MET 72 Cb 0.66 0.03 -0.15 0.00 -0.80 0.00 0.00 31.60 31.34 1veh h MET 72 CO -0.22 -0.09 0.25 1.25 0.23 0.00 0.00 176.91 178.34 1veh h LEU 73 N -0.13 0.00 0.06 3.39 6.46 0.14 0.99 115.31 126.22 1veh h LEU 73 Ca 0.19 0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 58.15 1veh h LEU 73 Cb 0.43 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1veh h LEU 73 CO -0.47 -0.18 -0.03 1.56 -0.62 0.00 0.00 178.44 178.70 1veh h GLN 74 N 0.19 -0.08 -0.98 1.25 4.20 -0.12 -1.62 115.11 117.95 1veh h GLN 74 Ca 0.58 0.01 0.33 0.00 0.06 0.00 0.00 58.65 59.62 1veh h GLN 74 Cb 1.19 0.02 -0.17 0.00 0.30 0.00 0.00 27.48 28.81 1veh h GLN 74 CO -0.68 0.47 0.28 0.35 -0.67 0.00 0.00 178.83 178.58 1veh h PHE 75 N -0.70 0.40 0.12 2.96 3.04 0.20 -0.52 116.94 122.45 1veh h PHE 75 Ca -0.01 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1veh h PHE 75 Cb 0.58 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.08 1veh h PHE 75 CO 0.12 -0.40 -0.06 1.88 -2.02 0.00 0.00 178.31 177.83 1veh h TYR 76 N 0.06 -0.15 -3.30 0.41 0.05 -1.03 -3.44 116.97 109.56 1veh h TYR 76 Ca 0.70 -0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.80 1veh h TYR 76 Cb 1.63 0.05 -0.34 0.00 1.01 0.00 0.00 36.73 39.08 1veh h TYR 76 CO -0.25 0.22 -0.81 0.42 -1.05 0.00 0.00 178.16 176.69 1veh s ILE 77 N -2.66 2.42 -1.76 -2.88 1.01 -0.22 -4.97 121.20 112.15 1veh s ILE 77 Ca -0.09 -0.99 0.23 0.00 0.00 0.00 0.00 60.65 59.80 1veh s ILE 77 Cb -0.00 -2.13 0.56 0.00 0.01 0.00 0.00 42.46 40.90 1veh s ILE 77 CO 0.34 0.38 1.77 -0.81 0.00 0.00 0.00 174.94 176.62 1veh n PRO 78 N 4.63 0.57 0.02 2.79 -0.04 -1.14 -2.92 135.00 138.92 1veh n PRO 78 Ca -0.19 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.23 1veh n PRO 78 Cb 0.48 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.48 -7.35 0.54 4.39 -1.92 -3.44 114.58 107.29 1veh h GLU 79 Ca 0.00 -0.28 -0.46 0.00 0.34 0.00 0.00 59.36 58.96 1veh h GLU 79 Cb 0.09 0.02 0.16 0.00 -0.10 0.00 0.00 28.75 28.92 1veh h GLU 79 CO 0.00 0.87 0.20 0.08 -1.16 0.00 0.00 179.01 179.00 1veh s VAL 80 N -4.07 2.22 0.00 3.13 1.01 -1.15 -4.10 120.40 117.44 1veh s VAL 80 Ca -0.07 0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1veh s VAL 80 Cb 0.12 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1veh s VAL 80 CO 0.82 -0.09 0.00 -0.62 0.00 0.00 0.00 175.10 175.21 1veh n GLU 81 N -4.13 0.00 -0.35 2.72 1.02 -1.12 -4.85 120.64 113.93 1veh n GLU 81 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1veh n GLU 81 Cb 0.57 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 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 1.73 3.43 3.02 0.62 0.00 -1.26 -4.91 105.19 107.82 1veh n GLY 82 Ca 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 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 0.29 -0.13 1.61 1.01 -1.26 -2.73 120.40 116.74 1veh s VAL 83 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 1veh s VAL 83 Cb 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 36.38 35.92 1veh s VAL 83 CO 0.00 -0.50 0.32 -1.61 0.00 0.00 0.00 175.10 173.32 1veh s GLU 84 N -1.72 0.33 -1.07 2.72 8.01 -1.06 -4.94 118.70 120.98 1veh s GLU 84 Ca -0.12 0.56 -0.20 0.00 0.01 0.00 0.00 54.97 55.22 1veh s GLU 84 Cb -0.08 0.04 0.08 0.00 -4.31 0.00 0.00 34.13 29.86 1veh s GLU 84 CO -0.01 -0.11 1.42 -1.14 0.01 0.00 0.00 175.26 175.43 1veh s GLN 85 N 0.81 3.71 0.79 1.61 -0.44 -1.25 -1.57 119.66 123.32 1veh s GLN 85 Ca -0.05 -1.57 -0.11 0.00 -2.50 0.00 0.00 55.36 51.13 1veh s GLN 85 Cb -0.06 -5.26 0.07 0.00 -1.64 0.00 0.00 33.01 26.12 1veh s GLN 85 CO -0.06 -2.07 1.10 0.14 0.50 0.00 0.00 175.29 174.90 1veh s VAL 86 N 3.99 3.11 0.09 1.34 -7.23 -0.60 -4.87 120.40 116.23 1veh s VAL 86 Ca 0.44 0.37 -0.04 0.00 -1.81 0.00 0.00 61.98 60.94 1veh s VAL 86 Cb -0.01 -2.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 1veh s VAL 86 CO -0.06 -0.46 0.09 -0.94 -0.31 0.00 0.00 175.10 173.41 1veh s SER 87 N -3.23 0.30 0.00 4.85 1.04 -1.26 -4.05 113.70 111.35 1veh s SER 87 Ca 0.62 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1veh s SER 87 Cb -0.18 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1veh s SER 87 CO 0.56 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1veh n GLY 88 N -0.01 2.02 3.57 7.32 0.00 -1.26 -5.05 105.19 111.78 1veh n GLY 88 Ca -0.12 0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 3.39 3.20 -0.09 1.61 0.04 -1.26 -4.93 135.00 136.96 1veh s PRO 89 Ca 0.00 -1.31 -0.01 0.00 0.04 0.00 0.00 61.00 59.72 1veh s PRO 89 Cb 0.00 -5.34 -0.03 0.00 0.04 0.00 0.00 34.50 29.17 1veh s PRO 89 CO 0.00 -3.00 -0.04 0.45 0.04 0.00 0.00 177.00 174.45 1veh s SER 90 N 5.70 4.86 0.00 6.66 0.15 -1.26 -5.06 113.70 124.74 1veh s SER 90 Ca 0.60 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1veh s SER 90 Cb 0.00 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.94 1veh s SER 90 CO 0.05 0.34 0.00 -1.54 1.20 0.00 0.00 173.24 173.29 1veh n SER 91 N 2.41 0.00 -0.25 5.45 3.41 -1.26 -5.28 113.62 118.11 1veh n SER 91 Ca -0.18 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.58 1veh n SER 91 Cb 0.53 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.21 1veh n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49