#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 4.43 -0.25 1.61 1.04 -1.26 -5.01 113.70 114.26 1veh s SER 2 Ca 0.00 -3.25 -0.02 0.00 0.48 0.00 0.00 55.95 53.16 1veh s SER 2 Cb 0.00 -1.62 0.13 0.00 0.10 0.00 0.00 66.02 64.63 1veh s SER 2 CO 0.00 -0.19 0.32 -0.44 0.98 0.00 0.00 173.24 173.91 1veh s SER 3 N -0.61 0.85 0.00 7.02 0.01 -1.26 -5.13 113.70 114.59 1veh s SER 3 Ca 0.19 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1veh s SER 3 Cb -0.20 0.80 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1veh s SER 3 CO -0.05 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1veh n GLY 4 N 5.34 3.34 2.04 3.44 0.00 -1.26 -5.14 105.19 112.96 1veh n GLY 4 Ca -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 -8.88 -3.78 1.61 2.88 -1.26 -5.01 113.62 99.19 1veh n SER 5 Ca 0.00 1.36 -0.28 0.00 -1.33 0.00 0.00 58.87 58.62 1veh n SER 5 Cb 0.00 -5.02 -0.16 0.00 -0.75 0.00 0.00 64.21 58.28 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 -0.53 2.89 -0.43 -3.46 0.15 -1.26 -5.05 113.70 106.01 1veh s SER 6 Ca 0.00 -0.78 0.05 0.00 0.70 0.00 0.00 55.95 55.92 1veh s SER 6 Cb 0.00 -0.68 0.20 0.00 -1.71 0.00 0.00 66.02 63.83 1veh s SER 6 CO 0.00 -0.28 0.41 0.61 1.20 0.00 0.00 173.24 175.19 1veh n GLY 7 N 5.00 2.51 3.63 9.45 0.00 -1.26 -5.09 105.19 119.43 1veh n GLY 7 Ca -0.09 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 1veh n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1veh s SER 8 N -0.45 6.58 -0.13 1.61 1.04 -1.26 -4.33 113.70 116.75 1veh s SER 8 Ca 0.33 1.35 -0.09 0.00 0.48 0.00 0.00 55.95 58.03 1veh s SER 8 Cb 0.08 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.69 1veh s SER 8 CO -0.17 -1.14 0.17 1.21 0.98 0.00 0.00 173.24 174.30 1veh n GLU 9 N 7.42 -3.38 -0.90 4.02 2.13 -1.26 -4.94 120.64 123.73 1veh n GLU 9 Ca 0.16 2.67 -0.33 0.00 0.66 0.00 0.00 57.16 60.32 1veh n GLU 9 Cb 0.46 -3.93 0.12 0.00 0.27 0.00 0.00 31.44 28.36 1veh n GLU 9 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1veh n GLU 10 N 1.24 -0.15 -1.96 5.31 1.02 -1.26 -4.89 120.64 119.95 1veh n GLU 10 Ca -0.29 0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.46 1veh n GLU 10 Cb 0.45 -2.01 0.01 0.00 -0.02 0.00 0.00 31.44 29.87 1veh n GLU 10 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1veh s ASP 11 N -2.03 6.02 0.52 1.62 1.01 -1.26 -5.02 116.67 117.53 1veh s ASP 11 Ca 0.62 2.72 0.04 0.00 0.71 0.00 0.00 52.55 56.64 1veh s ASP 11 Cb -0.25 -2.64 0.09 0.00 1.01 0.00 0.00 42.92 41.13 1veh s ASP 11 CO 0.62 -1.05 0.65 -0.67 0.21 0.00 0.00 175.17 174.93 1veh n ASP 12 N -0.18 1.29 0.22 0.27 2.03 -1.26 -4.99 116.55 113.93 1veh n ASP 12 Ca 0.05 -1.99 0.12 0.00 0.52 0.00 0.00 54.79 53.49 1veh n ASP 12 Cb 0.44 -0.38 0.26 0.00 -0.72 0.00 0.00 41.12 40.72 1veh n ASP 12 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1veh h GLU 13 N 0.00 0.00 0.11 -0.67 5.08 -2.00 -3.10 114.58 114.00 1veh h GLU 13 Ca -0.22 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.88 1veh h GLU 13 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1veh h GLU 13 CO 0.27 0.06 -1.21 -0.24 -1.00 0.00 0.00 179.01 176.89 1veh h VAL 14 N 0.00 1.51 0.86 3.13 3.04 -1.99 -2.92 116.25 119.89 1veh h VAL 14 Ca -0.00 -3.06 -0.04 0.00 -1.01 0.00 0.00 66.70 62.59 1veh h VAL 14 Cb 0.94 2.92 0.00 0.00 -2.01 0.00 0.00 31.29 33.14 1veh h VAL 14 CO 0.01 0.89 -0.45 0.58 -1.01 0.00 0.00 177.57 177.59 1veh h VAL 15 N 0.08 0.09 -0.50 1.51 2.07 -1.93 -0.13 116.25 117.43 1veh h VAL 15 Ca -0.12 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.54 1veh h VAL 15 Cb 1.94 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1veh h VAL 15 CO 0.20 0.00 0.36 0.00 0.02 0.00 0.00 177.57 178.15 1veh h ALA 16 N -1.09 2.43 0.68 1.67 0.00 -1.66 -1.52 119.26 119.76 1veh h ALA 16 Ca -0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1veh h ALA 16 Cb 0.94 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1veh h ALA 16 CO 0.17 -0.57 -0.33 1.98 0.00 0.00 0.00 179.25 180.50 1veh h MET 17 N 0.03 -0.89 -0.82 0.00 4.05 -1.12 -2.99 114.93 113.19 1veh h MET 17 Ca 0.24 0.06 0.14 0.00 -0.28 0.00 0.00 59.70 59.86 1veh h MET 17 Cb 0.91 0.20 -0.09 0.00 -0.80 0.00 0.00 31.60 31.82 1veh h MET 17 CO -0.01 -0.56 0.41 0.82 0.23 0.00 0.00 176.91 177.80 1veh h ILE 18 N -1.09 0.74 -0.86 1.77 2.04 -0.25 -1.39 117.51 118.48 1veh h ILE 18 Ca -0.09 -0.21 0.10 0.00 1.00 0.00 0.00 64.86 65.66 1veh h ILE 18 Cb 0.74 0.08 -0.13 0.00 -0.74 0.00 0.00 36.82 36.77 1veh h ILE 18 CO 0.15 0.11 -0.50 0.11 0.00 0.00 0.00 178.15 178.03 1veh h LYS 19 N 0.61 -0.08 -0.07 2.37 1.57 -1.17 0.98 116.57 120.77 1veh h LYS 19 Ca 0.44 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.26 1veh h LYS 19 Cb 0.60 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 1veh h LYS 19 CO -0.35 -0.05 -0.15 0.93 -0.57 0.00 0.00 179.45 179.25 1veh h GLU 20 N -0.08 -0.21 -0.33 3.15 3.07 -1.16 0.15 114.58 119.17 1veh h GLU 20 Ca 0.21 0.01 0.10 0.00 -0.50 0.00 0.00 59.36 59.18 1veh h GLU 20 Cb 0.51 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1veh h GLU 20 CO -0.87 -0.14 0.32 1.25 -1.40 0.00 0.00 179.01 178.17 1veh h LEU 21 N -0.22 0.00 0.00 1.33 6.46 -0.21 2.12 115.31 124.80 1veh h LEU 21 Ca 0.07 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1veh h LEU 21 Cb 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1veh h LEU 21 CO -0.20 0.00 0.00 0.18 -0.62 0.00 0.00 178.44 177.80 1veh n LEU 22 N -3.93 0.00 -0.04 2.25 7.99 0.31 -3.47 117.00 120.11 1veh n LEU 22 Ca 0.05 0.42 -0.04 0.00 -0.01 0.00 0.00 56.01 56.43 1veh n LEU 22 Cb 0.48 -0.42 -0.04 0.00 -0.11 0.00 0.00 43.42 43.33 1veh n LEU 22 CO 0.30 -0.02 -0.74 0.47 -1.51 0.00 0.00 177.39 175.89 1veh n ASP 23 N -1.42 3.39 -0.31 -1.43 9.92 0.59 0.10 116.55 127.39 1veh n ASP 23 Ca 0.09 -0.02 -0.01 0.00 -0.53 0.00 0.00 54.79 54.32 1veh n ASP 23 Cb 0.29 0.25 0.04 0.00 -0.64 0.00 0.00 41.12 41.05 1veh n ASP 23 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1veh n THR 24 N -2.50 -0.43 -2.60 -3.53 -2.24 0.56 -4.00 114.28 99.55 1veh n THR 24 Ca -0.13 1.90 -0.01 0.00 -2.27 0.00 0.00 64.05 63.54 1veh n THR 24 Cb 0.68 -2.52 0.07 0.00 -2.10 0.00 0.00 70.33 66.46 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 -5.20 0.72 0.03 -0.78 1.85 -1.26 -4.97 116.66 107.04 1veh n ARG 25 Ca 0.08 -0.68 -0.01 0.00 -1.00 0.00 0.00 57.85 56.25 1veh n ARG 25 Cb 0.33 0.21 -0.00 0.00 -1.05 0.00 0.00 32.46 31.94 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 -0.80 0.85 -0.00 8.89 5.41 -1.25 -4.29 119.36 128.17 1veh n ILE 26 Ca -0.10 0.26 -0.12 0.00 1.00 0.00 0.00 62.75 63.79 1veh n ILE 26 Cb 0.70 -1.58 -0.08 0.00 -0.71 0.00 0.00 39.64 37.98 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 -0.04 0.07 0.00 0.38 2.43 0.43 0.40 114.38 118.06 1veh h ARG 27 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1veh h ARG 27 Cb 0.37 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1veh h ARG 27 CO -0.01 0.27 0.00 -0.35 -1.51 0.00 0.00 179.97 178.37 1veh n PRO 28 N -4.94 0.07 0.02 0.20 -0.04 -1.26 -1.11 135.00 127.94 1veh n PRO 28 Ca -0.07 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1veh n PRO 28 Cb 0.14 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 31.90 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 -1.74 0.13 -0.06 0.52 -1.04 -0.96 -3.80 114.28 107.33 1veh n THR 29 Ca 0.05 -0.36 -0.16 0.00 -2.04 0.00 0.00 64.05 61.54 1veh n THR 29 Cb 0.28 0.17 -0.14 0.00 -1.82 0.00 0.00 70.33 68.82 1veh n THR 29 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1veh n VAL 30 N -2.12 1.59 0.34 12.58 0.31 0.14 -4.03 118.33 127.14 1veh n VAL 30 Ca -0.01 -0.70 0.15 0.00 -0.01 0.00 0.00 64.34 63.77 1veh n VAL 30 Cb 0.49 -1.26 0.60 0.00 -0.91 0.00 0.00 33.84 32.77 1veh n VAL 30 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 1veh h GLN 31 N 0.02 0.00 0.00 5.55 3.07 -1.20 -1.66 115.11 120.90 1veh h GLN 31 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1veh h GLN 31 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.59 1veh h GLN 31 CO 0.02 0.00 0.00 -1.91 0.09 0.00 0.00 178.83 177.03 1veh n GLU 32 N -2.62 0.86 -1.79 0.06 2.13 -1.25 -2.77 120.64 115.26 1veh n GLU 32 Ca 0.01 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.80 1veh n GLU 32 Cb 0.25 -1.50 0.07 0.00 0.27 0.00 0.00 31.44 30.53 1veh n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1veh n ASP 33 N -1.01 2.18 -2.87 4.31 2.03 -0.62 -5.02 116.55 115.55 1veh n ASP 33 Ca 0.21 -2.82 -0.08 0.00 0.52 0.00 0.00 54.79 52.62 1veh n ASP 33 Cb 0.10 -0.41 0.01 0.00 -0.72 0.00 0.00 41.12 40.10 1veh n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1veh n GLY 34 N -0.43 -1.96 0.00 0.27 0.00 -1.12 -4.24 105.19 97.71 1veh n GLY 34 Ca 0.18 1.03 0.00 0.00 0.00 0.00 0.00 46.02 47.23 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 -1.34 3.64 -0.02 0.00 -1.24 -2.71 105.19 103.52 1veh n GLY 35 Ca 0.07 -0.98 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 1veh n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1veh s ASP 36 N -3.62 -0.61 -0.12 1.61 1.01 -1.26 -3.71 116.67 109.97 1veh s ASP 36 Ca 0.00 1.02 -0.16 0.00 0.71 0.00 0.00 52.55 54.13 1veh s ASP 36 Cb 0.00 1.19 -0.05 0.00 1.01 0.00 0.00 42.92 45.08 1veh s ASP 36 CO 0.00 -0.17 0.38 0.54 0.21 0.00 0.00 175.17 176.14 1veh s VAL 37 N 1.10 5.22 -0.30 -1.27 0.11 -1.26 -3.63 120.40 120.37 1veh s VAL 37 Ca -0.06 0.75 -0.01 0.00 -2.93 0.00 0.00 61.98 59.73 1veh s VAL 37 Cb -0.04 -3.72 0.10 0.00 -1.53 0.00 0.00 36.38 31.19 1veh s VAL 37 CO -0.13 0.39 0.10 -0.63 -3.33 0.00 0.00 175.10 171.50 1veh s ILE 38 N 0.31 0.79 -0.55 7.04 1.09 -1.25 -4.89 121.20 123.74 1veh s ILE 38 Ca 0.21 -1.32 -0.27 0.00 -1.10 0.00 0.00 60.65 58.18 1veh s ILE 38 Cb -0.14 -1.59 -0.01 0.00 -1.06 0.00 0.00 42.46 39.65 1veh s ILE 38 CO 0.08 -0.66 1.75 -0.47 -0.10 0.00 0.00 174.94 175.54 1veh s TYR 39 N 1.66 1.83 -0.42 3.97 5.04 -1.26 -1.61 117.35 126.56 1veh s TYR 39 Ca 0.09 0.68 0.02 0.00 -2.44 0.00 0.00 57.07 55.42 1veh s TYR 39 Cb -0.17 -4.17 0.13 0.00 0.35 0.00 0.00 41.96 38.10 1veh s TYR 39 CO -0.25 -2.36 0.21 1.03 -1.34 0.00 0.00 175.55 172.83 1veh s ARG 40 N 6.44 1.25 0.00 4.97 1.81 0.42 -4.97 118.95 128.88 1veh s ARG 40 Ca 0.66 -1.89 0.00 0.00 -1.72 0.00 0.00 55.73 52.78 1veh s ARG 40 Cb -0.14 -2.39 0.00 0.00 -0.45 0.00 0.00 34.95 31.96 1veh s ARG 40 CO 0.24 -1.12 0.00 0.41 -0.68 0.00 0.00 175.30 174.15 1veh n GLY 41 N 3.76 2.60 2.67 -3.53 0.00 -1.26 -4.50 105.19 104.93 1veh n GLY 41 Ca 0.06 -1.53 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.89 -0.03 -0.52 1.61 5.36 -1.26 0.48 117.98 122.73 1veh s PHE 42 Ca 0.00 -0.18 -0.15 0.00 -0.96 0.00 0.00 56.93 55.64 1veh s PHE 42 Cb 0.00 -0.58 0.12 0.00 -0.34 0.00 0.00 43.02 42.22 1veh s PHE 42 CO 0.00 -0.64 0.46 -2.00 -1.46 0.00 0.00 175.22 171.58 1veh s GLU 43 N 2.23 2.91 0.00 10.12 -6.30 -0.51 -4.84 118.70 122.31 1veh s GLU 43 Ca 0.06 -1.65 0.00 0.00 -2.50 0.00 0.00 54.97 50.88 1veh s GLU 43 Cb -0.16 -4.21 0.00 0.00 0.00 0.00 0.00 34.13 29.76 1veh s GLU 43 CO -0.17 -1.25 0.00 -0.25 0.02 0.00 0.00 175.26 173.61 1veh n ASP 44 N 5.19 0.00 0.00 -1.70 8.00 -1.26 -0.97 116.55 125.80 1veh n ASP 44 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1veh n ASP 44 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.00 0.00 3.54 0.44 0.00 -1.25 -4.40 105.19 103.52 1veh n GLY 45 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.79 -0.07 -2.89 -0.61 2.08 -0.15 -2.77 119.36 113.16 1veh n ILE 46 Ca 0.00 -0.71 -0.42 0.00 0.56 0.00 0.00 62.75 62.18 1veh n ILE 46 Cb 0.25 -2.54 -0.05 0.00 -0.75 0.00 0.00 39.64 36.56 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 11.80 4.65 -0.37 1.39 1.01 -0.78 -1.42 120.40 136.68 1veh s VAL 47 Ca 1.02 0.93 -0.28 0.00 0.00 0.00 0.00 61.98 63.65 1veh s VAL 47 Cb -0.30 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 1veh s VAL 47 CO 0.29 -0.54 1.72 -0.13 0.00 0.00 0.00 175.10 176.45 1veh s ARG 48 N 3.31 3.33 -0.07 2.72 0.52 0.18 -3.13 118.95 125.80 1veh s ARG 48 Ca 0.34 1.26 0.02 0.00 -0.52 0.00 0.00 55.73 56.83 1veh s ARG 48 Cb -0.12 -4.18 0.01 0.00 0.52 0.00 0.00 34.95 31.18 1veh s ARG 48 CO 0.19 -1.87 -0.12 -0.51 0.02 0.00 0.00 175.30 173.01 1veh s LEU 49 N 6.76 1.63 -1.19 2.53 1.43 -0.39 0.16 118.68 129.61 1veh s LEU 49 Ca 0.75 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 53.48 1veh s LEU 49 Cb -0.20 -0.85 0.23 0.00 0.03 0.00 0.00 46.19 45.40 1veh s LEU 49 CO 0.32 0.02 1.78 1.17 0.23 0.00 0.00 176.35 179.88 1veh n LYS 50 N 3.90 4.25 -2.58 1.70 4.81 -0.64 -1.41 118.16 128.19 1veh n LYS 50 Ca -0.22 -4.02 -0.27 0.00 -0.87 0.00 0.00 58.31 52.93 1veh n LYS 50 Cb 0.52 -2.69 0.01 0.00 0.02 0.00 0.00 35.03 32.89 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 -1.80 3.51 0.28 3.14 -0.00 -1.24 -3.81 118.68 118.75 1veh s LEU 51 Ca 0.38 0.83 -0.17 0.00 -0.00 0.00 0.00 54.13 55.17 1veh s LEU 51 Cb 0.10 -3.74 0.01 0.00 -0.00 0.00 0.00 46.19 42.56 1veh s LEU 51 CO 0.02 -0.74 0.62 0.00 -0.00 0.00 0.00 176.35 176.25 1veh s GLN 52 N -4.81 1.73 0.00 1.48 -2.07 -1.25 -4.90 119.66 109.84 1veh s GLN 52 Ca 0.49 -1.16 0.00 0.00 -1.82 0.00 0.00 55.36 52.88 1veh s GLN 52 Cb -0.10 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 1veh s GLN 52 CO 0.45 -0.76 0.00 0.41 -1.32 0.00 0.00 175.29 174.06 1veh n GLY 53 N -0.44 2.55 0.30 2.60 0.00 -1.10 -3.94 105.19 105.16 1veh n GLY 53 Ca -0.03 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.21 -3.96 1.61 0.87 -1.82 -3.47 113.55 106.99 1veh h SER 54 Ca 0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1veh h SER 54 Cb 0.00 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1veh h SER 54 CO 0.00 -0.01 -0.52 0.00 -0.53 0.00 0.00 176.83 175.77 1veh n THR 56 N -1.75 0.00 -1.32 0.00 5.66 -1.26 -4.65 114.28 110.96 1veh n THR 56 Ca 0.00 -0.31 -0.39 0.00 -3.05 0.00 0.00 64.05 60.30 1veh n THR 56 Cb 0.18 1.06 -0.03 0.00 -1.55 0.00 0.00 70.33 69.99 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 0.34 4.32 0.00 1.09 7.64 -1.26 -4.49 113.62 121.26 1veh n SER 57 Ca 0.13 -2.66 0.00 0.00 1.01 0.00 0.00 58.87 57.35 1veh n SER 57 Cb 0.47 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 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 0.00 0.27 0.18 0.00 0.13 -1.98 -2.94 132.00 127.66 1veh h PRO 59 Ca 0.00 -0.26 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1veh h PRO 59 Cb 0.00 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.20 1veh h PRO 59 CO 0.00 0.95 -0.10 0.77 -0.23 0.00 0.00 178.00 179.39 1veh h SER 60 N -0.31 -0.26 -1.61 1.44 0.02 -1.97 0.15 113.55 111.01 1veh h SER 60 Ca -0.04 0.01 0.47 0.00 -0.84 0.00 0.00 61.79 61.40 1veh h SER 60 Cb 1.05 0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.59 1veh h SER 60 CO 0.07 -0.16 1.15 0.28 -1.14 0.00 0.00 176.83 177.02 1veh h SER 61 N -0.26 0.04 0.41 3.07 0.02 -1.98 0.60 113.55 115.46 1veh h SER 61 Ca -0.02 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1veh h SER 61 Cb 0.21 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1veh h SER 61 CO 0.03 -0.02 -0.20 0.40 -1.14 0.00 0.00 176.83 175.90 1veh h ILE 62 N 0.02 0.00 0.00 3.27 2.04 -1.19 1.21 117.51 122.86 1veh h ILE 62 Ca 0.79 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 66.23 1veh h ILE 62 Cb 3.08 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1veh h ILE 62 CO -0.07 0.00 0.14 0.40 0.00 0.00 0.00 178.15 178.62 1veh h ILE 63 N -0.98 0.00 0.00 -0.67 2.04 0.24 1.48 117.51 119.61 1veh h ILE 63 Ca -0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1veh h ILE 63 Cb 0.42 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1veh h ILE 63 CO 0.09 0.00 -0.52 0.74 0.00 0.00 0.00 178.15 178.46 1veh h THR 64 N 0.00 0.11 0.00 -0.27 2.02 0.17 -3.34 112.91 111.59 1veh h THR 64 Ca 0.00 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1veh h THR 64 Cb 0.28 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1veh h THR 64 CO 0.00 0.04 -0.10 -0.07 0.37 0.00 0.00 175.52 175.75 1veh h LEU 65 N -1.00 0.00 -0.97 2.58 -0.00 0.21 -1.39 115.31 114.74 1veh h LEU 65 Ca -0.03 0.00 0.14 0.00 -0.00 0.00 0.00 57.88 57.98 1veh h LEU 65 Cb 0.53 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.04 1veh h LEU 65 CO -0.02 0.34 -0.43 0.50 -0.00 0.00 0.00 178.44 178.83 1veh h LYS 66 N -0.59 -0.01 0.69 1.13 3.11 0.19 1.49 116.57 122.58 1veh h LYS 66 Ca 0.00 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 1veh h LYS 66 Cb 0.10 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.34 1veh h LYS 66 CO 0.00 -0.01 -0.33 1.03 -2.81 0.00 0.00 179.45 177.33 1veh h SER 67 N -0.01 -0.78 -0.53 4.20 0.87 -0.78 0.20 113.55 116.71 1veh h SER 67 Ca 0.30 -0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.92 1veh h SER 67 Cb 0.56 0.20 -0.10 0.00 -0.44 0.00 0.00 62.40 62.62 1veh h SER 67 CO -0.96 -0.44 -0.52 1.23 -0.53 0.00 0.00 176.83 175.61 1veh h GLY 68 N -1.13 -0.78 0.13 5.77 0.00 0.08 0.78 103.07 107.91 1veh h GLY 68 Ca -0.09 0.67 -0.00 0.00 0.00 0.00 0.00 47.33 47.90 1veh h GLY 68 CO 0.15 -0.12 -0.13 -2.22 0.00 0.00 0.00 176.54 174.23 1veh h ILE 69 N -0.29 0.00 -0.96 2.60 2.04 0.20 -1.37 117.51 119.73 1veh h ILE 69 Ca 0.12 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.21 1veh h ILE 69 Cb 0.57 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.47 1veh h ILE 69 CO -0.67 0.00 -0.10 1.67 0.00 0.00 0.00 178.15 179.06 1veh n GLN 70 N -3.08 -0.08 0.08 2.37 7.27 0.06 0.00 117.38 123.99 1veh n GLN 70 Ca -0.03 1.46 -0.12 0.00 0.07 0.00 0.00 57.00 58.37 1veh n GLN 70 Cb 0.12 -2.25 -0.07 0.00 2.41 0.00 0.00 30.24 30.44 1veh n GLN 70 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 1veh h ASN 71 N 0.00 -1.21 -0.95 1.69 -1.24 0.10 -0.86 115.58 113.11 1veh h ASN 71 Ca 0.52 0.13 0.29 0.00 0.71 0.00 0.00 56.30 57.95 1veh h ASN 71 Cb 0.97 0.45 -0.18 0.00 0.73 0.00 0.00 38.32 40.29 1veh h ASN 71 CO -0.94 -0.42 0.12 0.80 -1.29 0.00 0.00 177.43 175.71 1veh n MET 72 N -4.72 -0.07 -0.08 6.67 1.56 0.10 0.18 117.12 120.77 1veh n MET 72 Ca -0.06 1.40 -0.08 0.00 -0.27 0.00 0.00 57.70 58.69 1veh n MET 72 Cb 0.31 -2.29 -0.01 0.00 2.15 0.00 0.00 33.22 33.39 1veh n MET 72 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1veh h LEU 73 N 0.00 0.14 -0.79 -0.89 3.38 -0.62 0.14 115.31 116.67 1veh h LEU 73 Ca 0.63 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.50 1veh h LEU 73 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1veh h LEU 73 CO -0.86 0.11 -0.37 1.56 0.09 0.00 0.00 178.44 178.97 1veh h GLN 74 N 0.24 0.48 0.52 1.13 4.20 0.29 0.40 115.11 122.37 1veh h GLN 74 Ca 0.12 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1veh h GLN 74 Cb 0.08 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.86 1veh h GLN 74 CO -0.12 0.78 -0.25 0.35 -0.67 0.00 0.00 178.83 178.92 1veh h PHE 75 N 0.40 -0.65 0.19 2.96 3.04 0.19 -3.29 116.94 119.78 1veh h PHE 75 Ca 0.04 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1veh h PHE 75 Cb 0.83 0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.56 1veh h PHE 75 CO 0.03 -0.39 -0.09 1.88 -2.02 0.00 0.00 178.31 177.72 1veh h TYR 76 N -0.74 -0.24 -3.71 0.41 0.05 -0.74 -3.43 116.97 108.57 1veh h TYR 76 Ca -0.07 -0.01 -0.65 0.00 0.05 0.00 0.00 58.73 58.05 1veh h TYR 76 Cb 0.56 0.08 -0.21 0.00 1.01 0.00 0.00 36.73 38.16 1veh h TYR 76 CO -0.03 0.14 -0.59 0.42 -1.05 0.00 0.00 178.16 177.05 1veh s ILE 77 N -3.25 4.58 -0.84 -2.88 -1.09 0.14 -4.95 121.20 112.90 1veh s ILE 77 Ca -0.11 -0.11 0.23 0.00 -2.23 0.00 0.00 60.65 58.42 1veh s ILE 77 Cb 0.00 -3.17 0.22 0.00 -1.58 0.00 0.00 42.46 37.93 1veh s ILE 77 CO 0.41 0.29 1.72 -0.81 -1.23 0.00 0.00 174.94 175.32 1veh n PRO 78 N 4.96 0.09 0.07 2.79 -0.04 -1.24 -3.42 135.00 138.21 1veh n PRO 78 Ca -0.15 0.20 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 1veh n PRO 78 Cb 0.51 -1.63 -0.01 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.18 -6.42 0.54 5.08 -1.88 -3.44 114.58 108.29 1veh h GLU 79 Ca 0.00 0.01 -0.62 0.00 -1.00 0.00 0.00 59.36 57.76 1veh h GLU 79 Cb 0.44 0.04 0.06 0.00 0.50 0.00 0.00 28.75 29.79 1veh h GLU 79 CO 0.00 -0.12 0.68 1.55 -1.00 0.00 0.00 179.01 180.12 1veh n VAL 80 N -2.93 0.01 -0.03 3.13 3.14 -1.25 -3.97 118.33 116.43 1veh n VAL 80 Ca -0.02 -0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.31 1veh n VAL 80 Cb 0.07 -1.29 -0.03 0.00 -1.06 0.00 0.00 33.84 31.53 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 3.15 0.14 -4.18 1.45 1.02 -1.11 -4.06 120.64 117.05 1veh n GLU 81 Ca 0.18 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.20 1veh n GLU 81 Cb 0.25 -1.09 -0.07 0.00 -0.02 0.00 0.00 31.44 30.51 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 -4.59 1.68 0.28 0.62 0.00 -1.26 -4.91 107.32 99.15 1veh s GLY 82 Ca -0.08 -1.71 0.09 0.00 0.00 0.00 0.00 44.72 43.02 1veh s GLY 82 CO 0.13 -1.25 -0.12 -1.34 0.00 0.00 0.00 173.10 170.52 1veh s VAL 83 N -3.61 2.04 -0.14 1.40 -7.23 -1.26 -1.86 120.40 109.74 1veh s VAL 83 Ca 0.36 -2.24 -0.07 0.00 -1.81 0.00 0.00 61.98 58.22 1veh s VAL 83 Cb 0.03 -2.38 0.06 0.00 0.56 0.00 0.00 36.38 34.64 1veh s VAL 83 CO 0.19 -0.36 0.31 -1.61 -0.31 0.00 0.00 175.10 173.33 1veh s GLU 84 N -3.62 0.27 -1.21 4.82 2.02 -1.19 -4.89 118.70 114.90 1veh s GLU 84 Ca 0.29 0.67 -0.20 0.00 0.02 0.00 0.00 54.97 55.75 1veh s GLU 84 Cb 0.00 -0.05 0.04 0.00 0.10 0.00 0.00 34.13 34.22 1veh s GLU 84 CO 0.13 -0.18 1.72 -1.14 0.02 0.00 0.00 175.26 175.81 1veh s GLN 85 N 1.51 3.65 0.56 1.61 -0.44 -1.24 -1.26 119.66 124.06 1veh s GLN 85 Ca -0.08 -1.65 -0.20 0.00 -2.50 0.00 0.00 55.36 50.93 1veh s GLN 85 Cb -0.10 -5.45 -0.04 0.00 -1.64 0.00 0.00 33.01 25.78 1veh s GLN 85 CO -0.10 -2.53 1.22 0.14 0.50 0.00 0.00 175.29 174.51 1veh s VAL 86 N 5.54 2.65 -0.28 1.34 -7.23 -0.50 -4.91 120.40 117.00 1veh s VAL 86 Ca 0.55 0.43 -0.25 0.00 -1.81 0.00 0.00 61.98 60.89 1veh s VAL 86 Cb 0.02 -3.18 0.16 0.00 0.56 0.00 0.00 36.38 33.94 1veh s VAL 86 CO 0.05 -0.07 1.26 -0.55 -0.31 0.00 0.00 175.10 175.48 1veh s SER 87 N -1.48 -0.22 -0.14 4.85 0.15 -1.26 -4.12 113.70 111.48 1veh s SER 87 Ca 0.74 0.41 -0.07 0.00 0.70 0.00 0.00 55.95 57.74 1veh s SER 87 Cb -0.31 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.44 1veh s SER 87 CO 0.35 -0.09 0.14 0.61 1.20 0.00 0.00 173.24 175.45 1veh n GLY 88 N 1.74 -4.39 3.62 9.45 0.00 -1.26 -4.89 105.19 109.46 1veh n GLY 88 Ca -0.11 0.92 -0.43 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.84 3.74 -0.35 1.61 0.04 -1.26 -4.99 135.00 132.95 1veh s PRO 89 Ca -0.16 1.12 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1veh s PRO 89 Cb 0.01 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1veh s PRO 89 CO 0.53 -1.35 0.22 0.45 0.04 0.00 0.00 177.00 176.89 1veh s SER 90 N 3.45 5.86 -0.58 6.66 0.15 -1.26 -5.04 113.70 122.95 1veh s SER 90 Ca 0.60 -0.67 -0.12 0.00 0.70 0.00 0.00 55.95 56.45 1veh s SER 90 Cb -0.16 -2.08 0.15 0.00 -1.71 0.00 0.00 66.02 62.22 1veh s SER 90 CO 0.28 -0.30 0.49 -0.44 1.20 0.00 0.00 173.24 174.47 1veh s SER 91 N 1.65 6.06 0.00 5.45 0.01 -1.26 -5.27 113.70 120.34 1veh s SER 91 Ca 0.05 -2.08 0.29 0.00 1.31 0.00 0.00 55.95 55.51 1veh s SER 91 Cb -0.18 -2.11 1.27 0.00 0.21 0.00 0.00 66.02 65.21 1veh s SER 91 CO 0.08 -0.71 1.87 0.61 0.41 0.00 0.00 173.24 175.50