#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nul s LYS 4 N 0.00 1.90 -0.42 3.44 -0.14 -1.26 -1.47 119.74 121.80 1nul s LYS 4 Ca 0.00 -1.52 -0.23 0.00 -1.36 0.00 0.00 55.97 52.86 1nul s LYS 4 Cb 0.00 -2.98 0.02 0.00 -1.68 0.00 0.00 37.83 33.19 1nul s LYS 4 CO 0.00 -0.71 0.76 -0.47 -0.76 0.00 0.00 175.35 174.16 1nul s TYR 5 N 1.05 3.04 -0.20 3.18 6.14 0.15 -4.98 117.35 125.73 1nul s TYR 5 Ca -0.01 0.26 -0.20 0.00 0.64 0.00 0.00 57.07 57.76 1nul s TYR 5 Cb -0.20 -3.52 -0.03 0.00 0.42 0.00 0.00 41.96 38.63 1nul s TYR 5 CO -0.06 -0.88 0.57 0.42 0.64 0.00 0.00 175.55 176.24 1nul s ILE 6 N 3.15 5.06 -0.32 3.14 -1.09 -1.26 -0.23 121.20 129.65 1nul s ILE 6 Ca 0.29 1.06 -0.07 0.00 -2.23 0.00 0.00 60.65 59.70 1nul s ILE 6 Cb -0.13 -3.89 0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1nul s ILE 6 CO 0.20 0.14 0.10 -0.69 -1.23 0.00 0.00 174.94 173.47 1nul s VAL 7 N 1.78 4.03 0.57 2.92 1.01 -0.46 -4.96 120.40 125.29 1nul s VAL 7 Ca 0.26 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1nul s VAL 7 Cb -0.16 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1nul s VAL 7 CO 0.10 -0.02 0.86 0.42 0.00 0.00 0.00 175.10 176.46 1nul s THR 8 N 1.49 3.53 0.16 3.92 -4.23 -1.26 -2.56 115.64 116.70 1nul s THR 8 Ca 0.02 -0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.22 1nul s THR 8 Cb -0.18 -3.39 0.04 0.00 1.34 0.00 0.00 72.50 70.32 1nul s THR 8 CO 0.03 -0.37 1.77 -0.50 -0.54 0.00 0.00 174.62 175.01 1nul h TRP 9 N -0.09 0.35 -0.86 3.99 4.06 -1.99 -1.09 115.95 120.33 1nul h TRP 9 Ca -0.45 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.49 1nul h TRP 9 Cb 1.26 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 29.29 1nul h TRP 9 CO 0.45 0.17 0.45 -0.44 -3.56 0.00 0.00 178.44 175.50 1nul h ASP 10 N 0.39 1.09 -0.37 -3.49 3.32 -1.99 -1.82 116.42 113.55 1nul h ASP 10 Ca 0.19 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1nul h ASP 10 Cb 0.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1nul h ASP 10 CO -0.15 0.89 -0.16 0.24 -1.72 0.00 0.00 179.24 178.34 1nul h MET 11 N 1.20 0.76 -0.93 3.56 2.86 -1.85 -1.77 114.93 118.76 1nul h MET 11 Ca 0.30 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1nul h MET 11 Cb 0.07 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 1nul h MET 11 CO -0.04 0.94 0.61 1.25 1.06 0.00 0.00 176.91 180.72 1nul h LEU 12 N 0.55 1.01 -1.03 1.22 5.85 -0.94 -0.73 115.31 121.24 1nul h LEU 12 Ca 0.08 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1nul h LEU 12 Cb 0.70 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1nul h LEU 12 CO 0.05 0.70 -0.04 -0.61 -0.34 0.00 0.00 178.44 178.19 1nul h GLN 13 N 1.18 0.65 -0.07 1.25 4.15 -1.09 -0.23 115.11 120.95 1nul h GLN 13 Ca 0.37 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 1nul h GLN 13 Cb -0.00 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 1nul h GLN 13 CO -0.12 0.70 -0.00 0.82 -1.93 0.00 0.00 178.83 178.29 1nul h ILE 14 N 0.61 1.26 -0.77 2.39 2.04 -0.36 -1.34 117.51 121.33 1nul h ILE 14 Ca 0.12 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1nul h ILE 14 Cb 0.44 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 1nul h ILE 14 CO 0.02 0.22 0.51 0.45 0.00 0.00 0.00 178.15 179.35 1nul h HIS 15 N -0.18 0.98 -0.79 1.37 3.86 -0.97 -1.95 115.15 117.47 1nul h HIS 15 Ca 0.02 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1nul h HIS 15 Cb 0.35 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 1nul h HIS 15 CO 0.04 0.62 0.39 0.00 0.86 0.00 0.00 177.93 179.83 1nul h ALA 16 N 1.28 1.02 -0.15 2.45 0.00 -0.92 -0.93 119.26 122.00 1nul h ALA 16 Ca 0.28 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1nul h ALA 16 Cb -0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1nul h ALA 16 CO -0.06 0.57 -0.33 0.00 0.00 0.00 0.00 179.25 179.44 1nul h ARG 17 N 1.11 0.29 -0.32 0.00 3.08 -0.79 0.08 114.38 117.83 1nul h ARG 17 Ca 0.27 -0.12 -0.16 0.00 0.07 0.00 0.00 59.98 60.04 1nul h ARG 17 Cb 0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1nul h ARG 17 CO -0.04 0.59 -0.44 -0.22 -1.07 0.00 0.00 179.97 178.80 1nul h LYS 18 N 0.26 0.83 -0.42 0.04 3.64 -0.93 -1.23 116.57 118.77 1nul h LYS 18 Ca 0.03 -0.46 -0.12 0.00 -1.27 0.00 0.00 60.65 58.83 1nul h LYS 18 Cb 0.71 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1nul h LYS 18 CO 0.05 1.10 -0.22 1.25 -2.27 0.00 0.00 179.45 179.36 1nul h LEU 19 N 0.67 0.91 -0.93 5.20 5.85 -0.85 -2.86 115.31 123.30 1nul h LEU 19 Ca 0.04 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.37 1nul h LEU 19 Cb 1.02 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 1nul h LEU 19 CO 0.10 1.12 0.61 0.00 -0.34 0.00 0.00 178.44 179.93 1nul h ALA 20 N 0.82 1.19 -0.63 1.25 0.00 -0.77 -1.88 119.26 119.24 1nul h ALA 20 Ca 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nul h ALA 20 Cb 0.78 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1nul h ALA 20 CO 0.06 0.56 0.41 0.77 0.00 0.00 0.00 179.25 181.06 1nul h SER 21 N 1.25 0.63 1.40 0.00 0.02 -1.00 -0.63 113.55 115.22 1nul h SER 21 Ca 0.35 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1nul h SER 21 Cb -0.12 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.27 1nul h SER 21 CO -0.08 0.44 -0.03 0.03 -1.14 0.00 0.00 176.83 176.05 1nul h ARG 22 N 0.73 0.00 -0.00 3.45 3.08 -1.23 -3.03 114.38 117.38 1nul h ARG 22 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1nul h ARG 22 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1nul h ARG 22 CO -0.07 0.03 -0.17 1.28 -1.07 0.00 0.00 179.97 179.97 1nul n LEU 23 N -3.12 0.43 -4.78 3.04 4.77 -0.26 -4.89 117.00 112.19 1nul n LEU 23 Ca 0.02 0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.72 1nul n LEU 23 Cb 0.41 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1nul n LEU 23 CO 0.30 0.09 0.75 -0.04 -1.33 0.00 0.00 177.39 177.16 1nul s MET 24 N -2.65 3.60 0.44 3.23 -1.94 -1.14 -4.26 119.30 116.58 1nul s MET 24 Ca 0.23 1.51 -0.24 0.00 -1.71 0.00 0.00 55.69 55.47 1nul s MET 24 Cb 0.19 -2.08 -0.08 0.00 2.01 0.00 0.00 34.83 34.87 1nul s MET 24 CO 0.53 -0.62 1.21 -2.14 -0.01 0.00 0.00 175.02 173.99 1nul s PRO 25 N -3.20 3.83 0.34 2.03 0.02 -1.26 -5.09 135.00 131.67 1nul s PRO 25 Ca 0.69 1.92 0.07 0.00 0.02 0.00 0.00 61.00 63.70 1nul s PRO 25 Cb -0.21 -2.55 0.62 0.00 0.02 0.00 0.00 34.50 32.39 1nul s PRO 25 CO 0.24 -0.53 1.83 1.03 -0.33 0.00 0.00 177.00 179.24 1nul h SER 26 N 2.30 0.32 -0.00 2.53 0.87 -1.90 -3.12 113.55 114.55 1nul h SER 26 Ca -0.49 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 1nul h SER 26 Cb 1.25 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1nul h SER 26 CO 0.61 0.52 0.22 -0.33 -0.53 0.00 0.00 176.83 177.33 1nul h GLU 27 N 0.31 0.00 0.00 2.24 3.07 -1.91 -1.32 114.58 116.97 1nul h GLU 27 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1nul h GLU 27 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1nul h GLU 27 CO 0.03 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.64 1nul n GLN 28 N -2.95 0.34 -4.81 2.33 10.64 -1.18 -4.79 117.38 116.95 1nul n GLN 28 Ca -0.02 0.06 -0.33 0.00 -1.83 0.00 0.00 57.00 54.88 1nul n GLN 28 Cb 0.28 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.03 1nul n GLN 28 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1nul s TRP 29 N -2.56 2.73 -0.19 2.61 0.52 -0.50 -4.81 118.94 116.73 1nul s TRP 29 Ca 0.22 -0.14 0.17 0.00 0.02 0.00 0.00 56.10 56.38 1nul s TRP 29 Cb 0.16 -1.62 -0.24 0.00 -1.15 0.00 0.00 33.47 30.61 1nul s TRP 29 CO 0.35 0.22 0.07 1.63 0.02 0.00 0.00 176.95 179.24 1nul n LYS 30 N 2.18 0.81 -3.51 4.98 4.01 0.84 -5.04 118.16 122.42 1nul n LYS 30 Ca -0.17 -0.01 -0.02 0.00 -0.51 0.00 0.00 58.31 57.60 1nul n LYS 30 Cb 0.52 -1.50 0.02 0.00 -0.51 0.00 0.00 35.03 33.56 1nul n LYS 30 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1nul n GLY 31 N 1.80 0.64 3.02 0.72 0.00 -1.22 -4.71 105.19 105.43 1nul n GLY 31 Ca -0.32 -1.10 -0.19 0.00 0.00 0.00 0.00 46.02 44.41 1nul n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nul s ILE 32 N -2.12 0.75 -0.25 -0.61 1.01 -0.64 -1.98 121.20 117.34 1nul s ILE 32 Ca 0.20 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1nul s ILE 32 Cb -0.02 -0.64 0.05 0.00 0.01 0.00 0.00 42.46 41.86 1nul s ILE 32 CO 0.04 0.22 -0.10 -0.63 0.00 0.00 0.00 174.94 174.47 1nul s ILE 33 N -0.06 2.37 -0.09 2.92 1.01 0.44 -0.01 121.20 127.79 1nul s ILE 33 Ca 0.01 -1.41 -0.16 0.00 0.00 0.00 0.00 60.65 59.09 1nul s ILE 33 Cb -0.05 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 1nul s ILE 33 CO -0.00 0.08 0.43 0.00 0.00 0.00 0.00 174.94 175.45 1nul s ALA 34 N 1.18 3.56 -0.25 9.38 0.00 0.74 -1.45 121.76 134.92 1nul s ALA 34 Ca -0.05 -0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.39 1nul s ALA 34 Cb -0.18 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.42 1nul s ALA 34 CO -0.06 0.16 0.99 0.08 0.00 0.00 0.00 175.76 176.94 1nul s VAL 35 N 0.08 4.69 0.25 0.00 1.01 -0.30 -1.35 120.40 124.79 1nul s VAL 35 Ca 0.24 1.87 -0.28 0.00 0.00 0.00 0.00 61.98 63.80 1nul s VAL 35 Cb -0.15 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 31.86 1nul s VAL 35 CO 0.10 -0.20 0.91 -0.55 0.00 0.00 0.00 175.10 175.36 1nul s SER 36 N 1.30 7.51 -0.01 3.32 0.15 -0.76 0.18 113.70 125.39 1nul s SER 36 Ca 0.42 1.86 0.21 0.00 0.70 0.00 0.00 55.95 59.14 1nul s SER 36 Cb -0.15 -2.58 -0.27 0.00 -1.71 0.00 0.00 66.02 61.32 1nul s SER 36 CO 0.08 0.10 0.53 0.54 1.20 0.00 0.00 173.24 175.68 1nul n ARG 37 N 1.21 0.65 -0.32 5.44 1.74 -1.26 -4.60 116.66 119.52 1nul n ARG 37 Ca -0.01 -0.10 0.14 0.00 -0.77 0.00 0.00 57.85 57.11 1nul n ARG 37 Cb 0.48 -1.58 0.33 0.00 -1.02 0.00 0.00 32.46 30.67 1nul n ARG 37 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1nul h GLY 38 N 3.98 1.69 0.07 -0.13 0.00 -1.97 -1.91 103.07 104.80 1nul h GLY 38 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1nul h GLY 38 CO 0.01 -0.21 -0.01 0.61 0.00 0.00 0.00 176.54 176.94 1nul n GLY 39 N -1.32 -0.37 0.16 4.60 0.00 0.13 -3.82 105.19 104.57 1nul n GLY 39 Ca 0.23 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 1nul n GLY 39 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nul h LEU 40 N 1.51 -0.28 0.08 0.99 3.38 -1.43 0.17 115.31 119.74 1nul h LEU 40 Ca 0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1nul h LEU 40 Cb 0.33 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1nul h LEU 40 CO 0.00 -0.08 -0.04 0.58 0.09 0.00 0.00 178.44 178.99 1nul h VAL 41 N -0.47 1.07 -0.70 1.22 2.07 -1.78 -0.72 116.25 116.95 1nul h VAL 41 Ca -0.03 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 66.98 1nul h VAL 41 Cb 0.35 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1nul h VAL 41 CO 0.06 0.14 0.46 -0.65 0.02 0.00 0.00 177.57 177.59 1nul h PRO 42 N -0.37 0.76 -0.53 1.57 0.11 -1.78 -1.36 132.00 130.40 1nul h PRO 42 Ca -0.01 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.97 1nul h PRO 42 Cb 0.31 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1nul h PRO 42 CO 0.02 0.50 -0.02 0.78 -0.21 0.00 0.00 178.00 179.07 1nul h GLY 43 N 0.78 0.99 1.46 -0.55 0.00 -0.77 -1.48 103.07 103.51 1nul h GLY 43 Ca 0.29 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 1nul h GLY 43 CO -0.09 0.65 -0.19 0.00 0.00 0.00 0.00 176.54 176.91 1nul h ALA 44 N 1.13 1.03 -0.27 3.60 0.00 -0.12 -0.97 119.26 123.66 1nul h ALA 44 Ca 0.15 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1nul h ALA 44 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1nul h ALA 44 CO 0.03 0.58 -0.11 -0.07 0.00 0.00 0.00 179.25 179.68 1nul h LEU 45 N 0.57 0.57 -0.55 0.00 3.38 -1.02 -2.18 115.31 116.07 1nul h LEU 45 Ca 0.09 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1nul h LEU 45 Cb 0.65 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1nul h LEU 45 CO 0.05 0.84 0.27 -0.07 0.09 0.00 0.00 178.44 179.61 1nul h LEU 46 N 0.29 0.71 -0.92 1.67 3.38 -1.13 -1.41 115.31 117.90 1nul h LEU 46 Ca 0.06 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1nul h LEU 46 Cb 0.62 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1nul h LEU 46 CO 0.04 0.63 0.60 0.00 0.09 0.00 0.00 178.44 179.80 1nul h ALA 47 N 1.11 1.22 -0.34 1.53 0.00 -1.12 0.49 119.26 122.14 1nul h ALA 47 Ca 0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1nul h ALA 47 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1nul h ALA 47 CO -0.03 0.48 0.05 -0.09 0.00 0.00 0.00 179.25 179.66 1nul h ARG 48 N 1.17 0.57 -0.26 0.00 1.12 -0.94 -1.68 114.38 114.37 1nul h ARG 48 Ca 0.37 -0.16 -0.15 0.00 -1.11 0.00 0.00 59.98 58.93 1nul h ARG 48 Cb -0.01 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 1nul h ARG 48 CO -0.12 0.66 -0.45 0.93 -3.11 0.00 0.00 179.97 177.89 1nul h GLU 49 N 0.40 0.66 -0.00 0.20 4.39 -0.70 -3.19 114.58 116.34 1nul h GLU 49 Ca 0.10 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1nul h GLU 49 Cb 0.37 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1nul h GLU 49 CO 0.01 0.97 -0.25 1.28 -1.16 0.00 0.00 179.01 179.86 1nul n LEU 50 N -4.01 0.59 -0.48 1.33 4.77 0.11 -4.94 117.00 114.37 1nul n LEU 50 Ca -0.02 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.88 1nul n LEU 50 Cb 0.55 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1nul n LEU 50 CO 0.47 0.12 -0.06 0.61 -1.33 0.00 0.00 177.39 177.20 1nul n GLY 51 N 1.39 0.77 3.71 -0.72 0.00 -0.79 -4.88 105.19 104.67 1nul n GLY 51 Ca 0.10 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 1nul n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nul s ILE 52 N -2.23 5.16 -0.04 -0.61 1.01 -0.70 -4.95 121.20 118.84 1nul s ILE 52 Ca 0.00 1.01 0.15 0.00 0.00 0.00 0.00 60.65 61.81 1nul s ILE 52 Cb 0.00 -3.85 -0.23 0.00 0.01 0.00 0.00 42.46 38.39 1nul s ILE 52 CO 0.00 0.30 0.30 0.54 0.00 0.00 0.00 174.94 176.08 1nul n ARG 53 N 3.82 0.61 -2.59 2.79 1.74 -1.26 -4.56 116.66 117.21 1nul n ARG 53 Ca -0.06 -0.12 -0.41 0.00 -0.77 0.00 0.00 57.85 56.48 1nul n ARG 53 Cb 0.51 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 1nul n ARG 53 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1nul s HIS 54 N -2.97 2.50 -0.15 -1.55 2.46 -1.26 -4.96 115.29 109.35 1nul s HIS 54 Ca -0.06 -0.66 0.01 0.00 0.47 0.00 0.00 55.06 54.83 1nul s HIS 54 Cb 0.09 -4.65 0.01 0.00 -0.13 0.00 0.00 32.58 27.90 1nul s HIS 54 CO 0.63 -1.94 -0.19 0.08 -2.47 0.00 0.00 174.74 170.85 1nul s VAL 55 N 5.02 2.27 0.45 0.89 1.01 -1.26 -1.63 120.40 127.15 1nul s VAL 55 Ca 0.42 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1nul s VAL 55 Cb -0.03 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1nul s VAL 55 CO -0.03 0.53 0.02 -0.62 0.00 0.00 0.00 175.10 175.01 1nul s ASP 56 N 0.94 3.77 0.13 3.32 -1.08 0.99 -4.98 116.67 119.75 1nul s ASP 56 Ca -0.04 -1.55 0.05 0.00 -0.52 0.00 0.00 52.55 50.49 1nul s ASP 56 Cb -0.15 0.19 -0.04 0.00 -1.46 0.00 0.00 42.92 41.46 1nul s ASP 56 CO -0.04 -0.72 -0.11 0.42 0.52 0.00 0.00 175.17 175.25 1nul s THR 57 N -2.89 1.16 -0.12 1.71 -4.23 -1.26 -0.19 115.64 109.82 1nul s THR 57 Ca 0.19 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1nul s THR 57 Cb 0.05 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 72.23 1nul s THR 57 CO 0.10 -0.64 -0.07 0.54 -0.54 0.00 0.00 174.62 174.00 1nul s VAL 58 N -2.91 1.01 -0.19 2.29 0.11 -0.46 -2.98 120.40 117.27 1nul s VAL 58 Ca 0.13 -0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 58.84 1nul s VAL 58 Cb -0.00 -1.05 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1nul s VAL 58 CO 0.01 0.34 -0.05 0.00 -3.33 0.00 0.00 175.10 172.07 1nul s ILE 60 N 1.07 0.19 0.90 0.00 1.01 -1.26 -0.85 121.20 122.25 1nul s ILE 60 Ca 0.01 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 59.58 1nul s ILE 60 Cb -0.15 -1.17 0.14 0.00 0.01 0.00 0.00 42.46 41.29 1nul s ILE 60 CO -0.00 -0.73 1.14 -0.94 0.00 0.00 0.00 174.94 174.41 1nul s SER 61 N 1.92 3.10 0.16 3.58 1.04 -0.67 -4.85 113.70 117.98 1nul s SER 61 Ca 0.10 2.13 -0.30 0.00 0.48 0.00 0.00 55.95 58.35 1nul s SER 61 Cb -0.17 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.32 1nul s SER 61 CO -0.32 -2.98 1.17 -0.94 0.98 0.00 0.00 173.24 171.15 1nul s SER 62 N -2.77 7.13 0.07 7.02 1.04 -1.26 -2.19 113.70 122.74 1nul s SER 62 Ca 0.66 2.15 0.02 0.00 0.48 0.00 0.00 55.95 59.26 1nul s SER 62 Cb -0.22 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.26 1nul s SER 62 CO 0.58 -0.35 0.14 -0.76 0.98 0.00 0.00 173.24 173.83 1nul s LEU 71 N -0.01 4.07 -0.26 2.42 1.43 -1.26 -4.98 118.68 120.09 1nul s LEU 71 Ca 0.53 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.72 1nul s LEU 71 Cb -0.31 -2.71 0.14 0.00 0.03 0.00 0.00 46.19 43.35 1nul s LEU 71 CO 0.35 0.17 0.46 -0.75 0.23 0.00 0.00 176.35 176.80 1nul s LYS 72 N -2.49 0.42 -0.75 1.70 2.47 -0.93 -5.10 119.74 115.06 1nul s LYS 72 Ca 0.32 0.79 -0.24 0.00 -1.56 0.00 0.00 55.97 55.28 1nul s LYS 72 Cb -0.12 -0.00 0.06 0.00 -1.46 0.00 0.00 37.83 36.30 1nul s LYS 72 CO 0.25 -0.56 1.14 0.08 0.16 0.00 0.00 175.35 176.41 1nul s VAL 73 N 2.66 4.12 0.10 4.02 1.01 -1.26 -1.67 120.40 129.38 1nul s VAL 73 Ca 0.12 -0.27 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 1nul s VAL 73 Cb -0.15 -4.81 -0.06 0.00 0.00 0.00 0.00 36.38 31.36 1nul s VAL 73 CO -0.17 -1.65 1.57 -0.07 0.00 0.00 0.00 175.10 174.78 1nul h LEU 74 N 11.97 0.47 -7.44 3.92 3.38 -1.36 -3.45 115.31 122.79 1nul h LEU 74 Ca -0.19 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.36 1nul h LEU 74 Cb 1.05 -0.12 -0.25 0.00 0.09 0.00 0.00 40.66 41.43 1nul h LEU 74 CO 1.23 0.62 -0.39 -0.75 0.09 0.00 0.00 178.44 179.24 1nul s LYS 75 N -5.15 0.33 -0.04 1.13 2.36 -1.10 -4.99 119.74 112.28 1nul s LYS 75 Ca -0.13 0.40 0.01 0.00 -2.55 0.00 0.00 55.97 53.69 1nul s LYS 75 Cb 0.08 0.16 0.02 0.00 -1.05 0.00 0.00 37.83 37.04 1nul s LYS 75 CO 0.75 -0.04 -0.03 0.50 1.55 0.00 0.00 175.35 178.07 1nul s ARG 76 N 0.17 0.67 0.24 4.03 3.52 -1.26 0.08 118.95 126.40 1nul s ARG 76 Ca -0.00 -0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.24 1nul s ARG 76 Cb -0.02 -0.72 -0.09 0.00 -1.56 0.00 0.00 34.95 32.56 1nul s ARG 76 CO 0.00 -0.08 1.18 0.00 -0.81 0.00 0.00 175.30 175.59 1nul s ALA 77 N 0.87 3.44 0.80 6.12 0.00 -1.16 -5.00 121.76 126.83 1nul s ALA 77 Ca -0.11 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 1nul s ALA 77 Cb -0.14 -3.39 0.07 0.00 0.00 0.00 0.00 23.12 19.67 1nul s ALA 77 CO -0.00 -0.33 1.09 -1.21 0.00 0.00 0.00 175.76 175.31 1nul s GLU 78 N -0.88 2.01 0.00 0.00 0.41 -1.26 -4.94 118.70 114.04 1nul s GLU 78 Ca 0.49 1.02 0.00 0.00 -0.41 0.00 0.00 54.97 56.08 1nul s GLU 78 Cb -0.33 -1.88 0.00 0.00 -1.78 0.00 0.00 34.13 30.14 1nul s GLU 78 CO 0.40 -1.77 0.00 0.41 -0.49 0.00 0.00 175.26 173.81 1nul n GLY 79 N -1.29 -2.55 0.39 -1.39 0.00 -1.26 -4.72 105.19 94.37 1nul n GLY 79 Ca 0.08 -2.11 0.04 0.00 0.00 0.00 0.00 46.02 44.02 1nul n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nul n ASP 80 N 0.00 2.40 0.00 1.61 5.75 -1.26 -4.77 116.55 120.28 1nul n ASP 80 Ca 0.00 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1nul n ASP 80 Cb 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1nul n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nul n GLY 81 N 0.21 0.64 3.69 6.12 0.00 -1.26 -1.07 105.19 113.52 1nul n GLY 81 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1nul n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nul s GLU 82 N -0.09 4.23 0.00 1.61 2.12 -1.25 -1.34 118.70 123.98 1nul s GLU 82 Ca 0.00 2.23 0.00 0.00 0.36 0.00 0.00 54.97 57.56 1nul s GLU 82 Cb 0.00 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.85 1nul s GLU 82 CO 0.00 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.46 1nul n GLY 83 N 3.86 0.80 3.65 -1.50 0.00 -1.26 -4.93 105.19 105.82 1nul n GLY 83 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1nul n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nul s PHE 84 N -3.17 2.82 -0.17 1.61 0.40 -0.45 -0.11 117.98 118.91 1nul s PHE 84 Ca 0.00 -0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.14 1nul s PHE 84 Cb 0.00 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.14 1nul s PHE 84 CO 0.00 0.52 -0.02 0.42 0.70 0.00 0.00 175.22 176.84 1nul s ILE 85 N -1.74 3.96 -0.17 0.64 1.01 -0.84 -1.56 121.20 122.50 1nul s ILE 85 Ca 0.27 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 1nul s ILE 85 Cb -0.09 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 1nul s ILE 85 CO 0.18 0.47 -0.00 -0.69 0.00 0.00 0.00 174.94 174.90 1nul s VAL 86 N 0.54 4.19 -0.01 2.92 1.01 0.15 -0.42 120.40 128.78 1nul s VAL 86 Ca -0.02 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1nul s VAL 86 Cb -0.14 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1nul s VAL 86 CO 0.02 0.48 -0.13 -0.51 0.00 0.00 0.00 175.10 174.97 1nul s ILE 87 N 0.42 1.00 0.21 2.22 2.07 -0.53 -0.95 121.20 125.63 1nul s ILE 87 Ca -0.01 -0.53 0.02 0.00 -1.41 0.00 0.00 60.65 58.72 1nul s ILE 87 Cb -0.14 -0.84 -0.05 0.00 0.13 0.00 0.00 42.46 41.57 1nul s ILE 87 CO 0.02 0.29 0.03 -0.62 -1.91 0.00 0.00 174.94 172.74 1nul s ASP 88 N -0.23 1.36 -0.03 4.50 2.15 -0.98 -1.15 116.67 122.30 1nul s ASP 88 Ca 0.04 -1.24 -0.22 0.00 0.43 0.00 0.00 52.55 51.56 1nul s ASP 88 Cb -0.06 0.10 -0.27 0.00 -0.30 0.00 0.00 42.92 42.40 1nul s ASP 88 CO -0.00 -0.60 1.00 -2.24 -0.17 0.00 0.00 175.17 173.16 1nul h ASP 89 N 2.56 0.44 -4.71 -0.34 2.03 -1.89 -3.14 116.42 111.37 1nul h ASP 89 Ca -0.37 -0.85 -0.18 0.00 -0.73 0.00 0.00 57.03 54.90 1nul h ASP 89 Cb 1.22 -0.14 -0.22 0.00 -0.83 0.00 0.00 39.33 39.36 1nul h ASP 89 CO 0.63 1.24 -0.70 -0.22 -1.03 0.00 0.00 179.24 179.16 1nul s LEU 90 N -8.18 2.17 -0.01 0.15 2.96 -1.26 -1.06 118.68 113.45 1nul s LEU 90 Ca -0.14 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.44 1nul s LEU 90 Cb 0.02 0.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.79 1nul s LEU 90 CO 0.81 -0.24 -0.18 0.54 -1.32 0.00 0.00 176.35 175.96 1nul s VAL 91 N -1.14 1.45 0.38 1.68 0.11 -1.00 -4.99 120.40 116.89 1nul s VAL 91 Ca -0.13 -0.78 -0.13 0.00 -2.93 0.00 0.00 61.98 58.01 1nul s VAL 91 Cb -0.08 -1.20 0.05 0.00 -1.53 0.00 0.00 36.38 33.62 1nul s VAL 91 CO -0.01 0.41 0.75 -0.62 -3.33 0.00 0.00 175.10 172.30 1nul s ASP 92 N -0.42 0.17 0.46 3.54 2.15 -1.26 -2.00 116.67 119.30 1nul s ASP 92 Ca 0.07 -1.23 -0.15 0.00 0.43 0.00 0.00 52.55 51.68 1nul s ASP 92 Cb -0.07 0.83 -0.08 0.00 -0.30 0.00 0.00 42.92 43.30 1nul s ASP 92 CO -0.01 -1.65 0.89 0.28 -0.17 0.00 0.00 175.17 174.52 1nul s THR 93 N -2.35 4.62 0.00 1.71 -1.32 -1.26 -4.01 115.64 113.02 1nul s THR 93 Ca 0.18 1.01 0.00 0.00 -1.21 0.00 0.00 61.69 61.67 1nul s THR 93 Cb -0.04 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 1nul s THR 93 CO 0.13 -0.58 0.00 0.61 -2.21 0.00 0.00 174.62 172.57 1nul n GLY 94 N -1.35 0.77 0.00 6.08 0.00 -1.26 -5.01 105.19 104.43 1nul n GLY 94 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1nul n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nul n GLY 95 N -2.39 1.92 0.54 -0.02 0.00 -1.26 -5.03 105.19 98.95 1nul n GLY 95 Ca 0.00 -1.65 0.06 0.00 0.00 0.00 0.00 46.02 44.43 1nul n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nul n THR 96 N 0.00 1.39 -0.27 2.61 -2.24 -1.26 -4.71 114.28 109.80 1nul n THR 96 Ca 0.00 -1.32 -0.04 0.00 -2.27 0.00 0.00 64.05 60.42 1nul n THR 96 Cb 0.00 0.25 0.08 0.00 -2.10 0.00 0.00 70.33 68.56 1nul n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nul h ALA 97 N 1.43 0.97 -0.32 6.98 0.00 -1.96 -1.75 119.26 124.62 1nul h ALA 97 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1nul h ALA 97 Cb 0.89 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1nul h ALA 97 CO 0.06 0.33 0.08 0.28 0.00 0.00 0.00 179.25 180.00 1nul h VAL 98 N 0.98 1.21 -0.88 0.00 2.07 -1.93 -2.22 116.25 115.49 1nul h VAL 98 Ca 0.29 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1nul h VAL 98 Cb -0.06 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1nul h VAL 98 CO -0.08 0.24 0.57 0.00 0.02 0.00 0.00 177.57 178.31 1nul h ALA 99 N 0.92 1.16 -0.60 1.67 0.00 -1.83 -1.59 119.26 118.98 1nul h ALA 99 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1nul h ALA 99 Cb 0.28 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1nul h ALA 99 CO -0.00 0.43 0.30 0.82 0.00 0.00 0.00 179.25 180.80 1nul h ILE 100 N 1.11 1.21 -0.27 0.00 1.08 -1.15 -1.59 117.51 117.90 1nul h ILE 100 Ca 0.35 -0.56 -0.09 0.00 -0.39 0.00 0.00 64.86 64.17 1nul h ILE 100 Cb -0.01 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 1nul h ILE 100 CO -0.11 0.23 -0.20 -0.09 -0.69 0.00 0.00 178.15 177.28 1nul h ARG 101 N 0.81 0.49 -0.22 2.37 9.65 -0.86 -1.63 114.38 124.99 1nul h ARG 101 Ca 0.21 -0.17 -0.15 0.00 -1.10 0.00 0.00 59.98 58.77 1nul h ARG 101 Cb 0.09 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1nul h ARG 101 CO -0.03 0.67 -0.45 0.93 2.80 0.00 0.00 179.97 183.89 1nul h GLU 102 N 0.44 0.69 -0.32 0.20 5.08 -0.96 -2.25 114.58 117.45 1nul h GLU 102 Ca 0.07 -0.45 -0.15 0.00 -1.00 0.00 0.00 59.36 57.83 1nul h GLU 102 Cb 0.60 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1nul h GLU 102 CO 0.04 1.07 -0.41 0.52 -1.00 0.00 0.00 179.01 179.23 1nul h MET 103 N 0.40 0.79 -2.13 2.33 2.86 -1.19 -3.35 114.93 114.63 1nul h MET 103 Ca 0.01 -0.42 -0.57 0.00 -2.06 0.00 0.00 59.70 56.66 1nul h MET 103 Cb 1.05 0.02 -0.41 0.00 0.06 0.00 0.00 31.60 32.32 1nul h MET 103 CO 0.10 1.05 -0.84 0.66 1.06 0.00 0.00 176.91 178.94 1nul n TYR 104 N -4.04 2.14 0.32 -0.22 4.01 -0.62 -4.56 117.16 114.19 1nul n TYR 104 Ca -0.02 -3.91 0.19 0.00 -0.16 0.00 0.00 57.90 54.00 1nul n TYR 104 Cb 0.54 -0.47 1.08 0.00 -0.31 0.00 0.00 39.34 40.18 1nul n TYR 104 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1nul h PRO 105 N 3.61 0.00 -0.02 -0.72 0.13 -1.29 -2.21 132.00 131.51 1nul h PRO 105 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1nul h PRO 105 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1nul h PRO 105 CO 0.68 0.00 -0.11 1.63 -0.23 0.00 0.00 178.00 179.97 1nul n LYS 106 N -3.44 1.68 -2.55 0.86 4.01 -0.24 -4.97 118.16 113.52 1nul n LYS 106 Ca -0.03 -1.20 -0.27 0.00 -0.51 0.00 0.00 58.31 56.29 1nul n LYS 106 Cb 0.09 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.14 1nul n LYS 106 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1nul s ALA 107 N -2.15 3.37 -0.50 7.82 0.00 -0.83 -3.90 121.76 125.57 1nul s ALA 107 Ca 0.30 -0.51 -0.21 0.00 0.00 0.00 0.00 51.96 51.54 1nul s ALA 107 Cb 0.20 -2.62 0.05 0.00 0.00 0.00 0.00 23.12 20.75 1nul s ALA 107 CO 0.39 -0.44 0.71 -1.58 0.00 0.00 0.00 175.76 174.83 1nul s HIS 108 N -2.81 2.99 -0.32 0.00 2.46 -0.60 -4.92 115.29 112.08 1nul s HIS 108 Ca 0.49 -0.30 -0.20 0.00 0.47 0.00 0.00 55.06 55.52 1nul s HIS 108 Cb -0.10 -3.64 -0.01 0.00 -0.13 0.00 0.00 32.58 28.70 1nul s HIS 108 CO 0.45 -1.08 0.61 0.12 -2.47 0.00 0.00 174.74 172.38 1nul s PHE 109 N 3.01 3.19 0.10 3.88 5.36 -1.26 -0.68 117.98 131.59 1nul s PHE 109 Ca 0.21 0.47 0.05 0.00 -0.96 0.00 0.00 56.93 56.70 1nul s PHE 109 Cb -0.16 -3.02 -0.03 0.00 -0.34 0.00 0.00 43.02 39.47 1nul s PHE 109 CO 0.15 -0.52 -0.13 0.14 -1.46 0.00 0.00 175.22 173.40 1nul s VAL 110 N 2.60 1.20 0.12 3.12 -7.23 -0.13 0.06 120.40 120.15 1nul s VAL 110 Ca 0.24 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 1nul s VAL 110 Cb -0.15 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1nul s VAL 110 CO 0.13 -0.39 0.01 0.42 -0.31 0.00 0.00 175.10 174.96 1nul s THR 111 N -1.97 0.35 -0.12 5.32 -4.23 -0.92 -2.31 115.64 111.76 1nul s THR 111 Ca 0.05 -1.91 -0.24 0.00 -1.18 0.00 0.00 61.69 58.41 1nul s THR 111 Cb -0.06 -1.94 -0.21 0.00 1.34 0.00 0.00 72.50 71.63 1nul s THR 111 CO 0.02 -0.60 0.71 0.40 -0.54 0.00 0.00 174.62 174.60 1nul h ILE 112 N 2.88 1.46 -2.79 2.99 1.08 -1.37 -3.22 117.51 118.53 1nul h ILE 112 Ca -0.35 -1.99 -0.59 0.00 -0.39 0.00 0.00 64.86 61.53 1nul h ILE 112 Cb 1.19 2.71 -0.10 0.00 -3.07 0.00 0.00 36.82 37.55 1nul h ILE 112 CO 0.62 0.48 -0.63 -0.36 -0.69 0.00 0.00 178.15 177.57 1nul s PHE 113 N -2.36 2.94 -0.11 1.37 0.08 -0.22 -0.98 117.98 118.70 1nul s PHE 113 Ca -0.16 -0.10 -0.06 0.00 0.12 0.00 0.00 56.93 56.73 1nul s PHE 113 Cb -0.02 -1.42 0.05 0.00 -0.57 0.00 0.00 43.02 41.06 1nul s PHE 113 CO 0.58 0.52 0.27 0.00 -0.10 0.00 0.00 175.22 176.49 1nul s ALA 114 N -1.76 -0.64 0.27 5.36 0.00 -0.65 -2.37 121.76 121.97 1nul s ALA 114 Ca 0.29 1.07 -0.07 0.00 0.00 0.00 0.00 51.96 53.25 1nul s ALA 114 Cb -0.09 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.30 1nul s ALA 114 CO 0.20 -0.21 0.56 0.15 0.00 0.00 0.00 175.76 176.46 1nul s LYS 115 N 1.23 3.69 0.24 0.00 1.02 -0.85 -1.26 119.74 123.82 1nul s LYS 115 Ca -0.09 0.11 -0.12 0.00 0.02 0.00 0.00 55.97 55.89 1nul s LYS 115 Cb -0.10 -2.64 0.33 0.00 -0.52 0.00 0.00 37.83 34.90 1nul s LYS 115 CO -0.09 0.24 1.46 -2.30 -0.92 0.00 0.00 175.35 173.75 1nul n PRO 116 N -0.68 -0.15 0.26 -1.68 -0.02 -1.25 0.02 135.00 131.51 1nul n PRO 116 Ca -0.01 1.46 0.18 0.00 -2.02 0.00 0.00 63.50 63.11 1nul n PRO 116 Cb 0.53 -2.17 0.90 0.00 -0.02 0.00 0.00 33.50 32.74 1nul n PRO 116 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nul h ALA 117 N 1.60 1.00 0.00 3.55 0.00 -1.94 -2.50 119.26 120.96 1nul h ALA 117 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1nul h ALA 117 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1nul h ALA 117 CO -0.95 0.00 -1.14 0.41 0.00 0.00 0.00 179.25 177.57 1nul n GLY 118 N -0.81 -1.11 0.26 0.00 0.00 0.10 -4.24 105.19 99.39 1nul n GLY 118 Ca -0.01 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 1nul n GLY 118 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nul h ARG 119 N 0.00 -0.11 0.00 1.61 3.08 -1.12 -0.93 114.38 116.91 1nul h ARG 119 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1nul h ARG 119 Cb 0.68 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1nul h ARG 119 CO 0.00 -0.08 0.00 -0.35 -1.07 0.00 0.00 179.97 178.47 1nul n PRO 120 N -5.39 0.27 0.05 0.04 -0.04 -1.26 -2.78 135.00 125.90 1nul n PRO 120 Ca 0.03 0.11 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 1nul n PRO 120 Cb 0.30 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.38 1nul n PRO 120 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1nul h LEU 121 N 0.00 0.00 -9.31 1.53 3.38 -1.46 -3.47 115.31 105.98 1nul h LEU 121 Ca 0.00 -0.24 -0.60 0.00 0.09 0.00 0.00 57.88 57.13 1nul h LEU 121 Cb 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.73 1nul h LEU 121 CO 0.00 0.12 -0.73 0.68 0.09 0.00 0.00 178.44 178.60 1nul s VAL 122 N -3.19 2.79 0.07 1.22 -7.23 -1.12 -4.95 120.40 108.00 1nul s VAL 122 Ca 0.05 -2.21 -0.00 0.00 -1.81 0.00 0.00 61.98 58.01 1nul s VAL 122 Cb 0.13 -2.47 -0.26 0.00 0.56 0.00 0.00 36.38 34.35 1nul s VAL 122 CO 0.75 -0.37 1.11 0.44 -0.31 0.00 0.00 175.10 176.72 1nul h ASP 123 N 2.22 0.28 -4.96 4.85 3.32 -0.68 -3.48 116.42 117.97 1nul h ASP 123 Ca -0.42 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.28 1nul h ASP 123 Cb 1.25 -0.09 -0.16 0.00 0.22 0.00 0.00 39.33 40.55 1nul h ASP 123 CO 0.59 1.25 0.22 -0.62 -1.72 0.00 0.00 179.24 178.96 1nul s ASP 124 N -6.95 -0.60 0.25 6.45 2.15 -1.14 -5.03 116.67 111.81 1nul s ASP 124 Ca -0.03 0.37 -0.19 0.00 0.43 0.00 0.00 52.55 53.13 1nul s ASP 124 Cb 0.08 0.55 0.02 0.00 -0.30 0.00 0.00 42.92 43.27 1nul s ASP 124 CO 0.86 -0.76 0.63 -0.72 -0.17 0.00 0.00 175.17 175.01 1nul s TYR 125 N -2.37 -0.10 -0.17 -5.34 1.13 -1.26 -2.17 117.35 107.07 1nul s TYR 125 Ca -0.05 -0.30 -0.15 0.00 -1.41 0.00 0.00 57.07 55.16 1nul s TYR 125 Cb -0.00 0.55 -0.06 0.00 -1.10 0.00 0.00 41.96 41.34 1nul s TYR 125 CO -0.01 -1.11 -0.31 0.28 -2.51 0.00 0.00 175.55 171.89 1nul n VAL 126 N -0.42 1.45 -4.43 -3.49 0.31 -0.15 -5.00 118.33 106.59 1nul n VAL 126 Ca -0.06 0.07 -0.34 0.00 -0.01 0.00 0.00 64.34 64.00 1nul n VAL 126 Cb 0.61 -2.18 -0.11 0.00 -0.91 0.00 0.00 33.84 31.26 1nul n VAL 126 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1nul s VAL 127 N -2.73 4.07 -0.02 2.52 1.01 -0.32 -5.03 120.40 119.91 1nul s VAL 127 Ca -0.27 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1nul s VAL 127 Cb 0.05 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1nul s VAL 127 CO 0.39 0.57 0.60 -1.81 0.00 0.00 0.00 175.10 174.86 1nul s ASP 128 N -0.53 6.96 -0.06 3.32 1.01 -1.26 -1.64 116.67 124.47 1nul s ASP 128 Ca 0.09 1.15 0.04 0.00 0.71 0.00 0.00 52.55 54.54 1nul s ASP 128 Cb -0.12 -2.37 -0.00 0.00 1.01 0.00 0.00 42.92 41.44 1nul s ASP 128 CO 0.02 0.07 -0.19 -0.63 0.21 0.00 0.00 175.17 174.65 1nul s ILE 129 N -0.03 1.60 0.56 0.77 -1.09 -0.39 -4.92 121.20 117.70 1nul s ILE 129 Ca 0.32 -0.79 -0.21 0.00 -2.23 0.00 0.00 60.65 57.74 1nul s ILE 129 Cb -0.18 -1.38 -0.04 0.00 -1.58 0.00 0.00 42.46 39.28 1nul s ILE 129 CO 0.17 0.45 1.28 -2.84 -1.23 0.00 0.00 174.94 172.77 1nul s PRO 130 N 0.12 3.12 0.41 2.79 0.02 -1.26 -3.74 135.00 136.46 1nul s PRO 130 Ca -0.07 2.03 0.16 0.00 0.02 0.00 0.00 61.00 63.13 1nul s PRO 130 Cb -0.13 -2.14 1.03 0.00 0.02 0.00 0.00 34.50 33.28 1nul s PRO 130 CO 0.04 -1.14 1.87 0.37 -0.33 0.00 0.00 177.00 177.80 1nul h GLN 131 N 1.28 0.44 -0.00 5.54 5.75 -1.94 -0.77 115.11 125.41 1nul h GLN 131 Ca -0.51 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 57.97 1nul h GLN 131 Cb 1.30 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1nul h GLN 131 CO 0.57 0.29 -0.13 -0.40 -2.65 0.00 0.00 178.83 176.51 1nul n ASP 132 N -4.52 0.53 -4.70 -0.69 5.68 -1.26 -4.90 116.55 106.70 1nul n ASP 132 Ca 0.18 -0.58 -0.39 0.00 -0.50 0.00 0.00 54.79 53.49 1nul n ASP 132 Cb 0.63 -0.05 -0.05 0.00 -1.14 0.00 0.00 41.12 40.50 1nul n ASP 132 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1nul s THR 133 N -2.50 5.06 0.02 2.12 2.01 -0.30 -4.02 115.64 118.04 1nul s THR 133 Ca 0.28 1.27 -0.26 0.00 0.31 0.00 0.00 61.69 63.29 1nul s THR 133 Cb 0.20 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1nul s THR 133 CO 0.49 0.22 0.79 -1.66 -0.69 0.00 0.00 174.62 173.77 1nul s TRP 134 N 1.15 3.70 -0.14 4.92 -0.00 -0.54 -4.86 118.94 123.17 1nul s TRP 134 Ca 0.32 1.48 -0.01 0.00 -0.00 0.00 0.00 56.10 57.89 1nul s TRP 134 Cb -0.16 -2.87 -0.02 0.00 -0.00 0.00 0.00 33.47 30.42 1nul s TRP 134 CO 0.14 0.19 -0.10 -1.50 -0.00 0.00 0.00 176.95 175.68 1nul s ILE 135 N 0.26 3.32 -0.30 0.66 2.07 -1.26 0.29 121.20 126.24 1nul s ILE 135 Ca 0.41 -0.56 -0.10 0.00 -1.41 0.00 0.00 60.65 58.99 1nul s ILE 135 Cb -0.20 -2.42 -0.01 0.00 0.13 0.00 0.00 42.46 39.96 1nul s ILE 135 CO 0.23 0.51 0.15 -1.61 -1.91 0.00 0.00 174.94 172.32 1nul s GLU 136 N 0.37 3.45 0.38 3.50 0.41 0.68 -4.95 118.70 122.54 1nul s GLU 136 Ca -0.09 -0.64 -0.15 0.00 -0.41 0.00 0.00 54.97 53.69 1nul s GLU 136 Cb -0.15 -3.56 -0.08 0.00 -1.78 0.00 0.00 34.13 28.55 1nul s GLU 136 CO 0.05 -0.36 0.80 -0.65 -0.49 0.00 0.00 175.26 174.61 1nul s GLN 137 N 1.64 3.96 0.49 1.61 -1.52 -1.26 -1.35 119.66 123.22 1nul s GLN 137 Ca 0.05 0.70 0.17 0.00 -1.95 0.00 0.00 55.36 54.33 1nul s GLN 137 Cb -0.17 -2.35 1.19 0.00 -0.22 0.00 0.00 33.01 31.46 1nul s GLN 137 CO 0.07 0.03 2.06 -1.00 -0.25 0.00 0.00 175.29 176.19 1nul h PRO 138 N 1.77 0.17 0.00 2.91 0.13 -1.82 -1.34 132.00 133.82 1nul h PRO 138 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1nul h PRO 138 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1nul h PRO 138 CO 0.64 0.11 0.00 -2.67 -0.23 0.00 0.00 178.00 175.85 1nul n TRP 139 N -4.47 0.71 1.02 1.56 2.14 -1.26 -2.12 117.44 115.01 1nul n TRP 139 Ca 0.04 0.28 0.12 0.00 2.07 0.00 0.00 57.50 60.01 1nul n TRP 139 Cb 0.29 -0.95 0.19 0.00 -0.81 0.00 0.00 31.31 30.02 1nul n TRP 139 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1nul n ASP 140 N -2.15 2.78 -4.26 -0.67 8.00 -0.51 -4.98 116.55 114.76 1nul n ASP 140 Ca 0.02 -1.91 -0.28 0.00 0.71 0.00 0.00 54.79 53.33 1nul n ASP 140 Cb 0.22 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 1nul n ASP 140 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1nul n MET 141 N 1.15 0.94 -3.59 -1.24 2.81 -0.90 -5.00 117.12 111.29 1nul n MET 141 Ca 0.15 -3.16 -0.08 0.00 -1.81 0.00 0.00 57.70 52.81 1nul n MET 141 Cb 0.56 0.87 -0.02 0.00 -0.71 0.00 0.00 33.22 33.92 1nul n MET 141 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1nul s GLY 142 N -3.38 -0.40 -0.38 3.03 0.00 -1.26 -5.02 107.32 99.91 1nul s GLY 142 Ca 0.01 0.50 -0.19 0.00 0.00 0.00 0.00 44.72 45.04 1nul s GLY 142 CO 0.00 0.16 0.53 0.14 0.00 0.00 0.00 173.10 173.93 1nul s VAL 143 N -3.42 4.98 0.20 1.40 1.01 -1.26 -5.04 120.40 118.26 1nul s VAL 143 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1nul s VAL 143 Cb -0.02 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1nul s VAL 143 CO -0.05 -0.35 0.08 0.68 0.00 0.00 0.00 175.10 175.46 1nul s VAL 144 N 2.46 0.32 0.26 2.92 -7.23 -1.26 -5.13 120.40 112.74 1nul s VAL 144 Ca 0.19 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 58.07 1nul s VAL 144 Cb -0.15 -2.39 -0.11 0.00 0.56 0.00 0.00 36.38 34.29 1nul s VAL 144 CO 0.15 -0.18 1.62 0.12 -0.31 0.00 0.00 175.10 176.50 1nul s PHE 145 N -3.92 2.84 -0.12 2.82 5.36 -1.26 -5.01 117.98 118.69 1nul s PHE 145 Ca 0.33 0.67 0.01 0.00 -0.96 0.00 0.00 56.93 56.97 1nul s PHE 145 Cb 0.07 -4.06 0.02 0.00 -0.34 0.00 0.00 43.02 38.71 1nul s PHE 145 CO 0.09 -3.71 -0.12 0.08 -1.46 0.00 0.00 175.22 170.11 1nul s VAL 146 N 0.41 1.33 0.55 3.12 1.01 -1.26 -5.12 120.40 120.44 1nul s VAL 146 Ca 0.67 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 1nul s VAL 146 Cb -0.48 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1nul s VAL 146 CO 0.42 0.42 1.25 -2.84 0.00 0.00 0.00 175.10 174.34 1nul s PRO 147 N 1.39 3.18 0.57 2.72 0.02 -1.26 -4.96 135.00 136.66 1nul s PRO 147 Ca 0.01 1.95 -0.19 0.00 0.02 0.00 0.00 61.00 62.78 1nul s PRO 147 Cb -0.13 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.21 1nul s PRO 147 CO -0.07 -1.07 1.20 -1.25 -0.33 0.00 0.00 177.00 175.48 1nul s PRO 148 N -3.06 3.13 0.36 5.54 0.04 -1.26 -4.90 135.00 134.85 1nul s PRO 148 Ca 0.73 1.81 0.06 0.00 0.04 0.00 0.00 61.00 63.63 1nul s PRO 148 Cb -0.33 -2.01 0.73 0.00 0.04 0.00 0.00 34.50 32.93 1nul s PRO 148 CO 0.38 -1.07 1.95 0.82 0.04 0.00 0.00 177.00 179.12 1nul h ILE 149 N 1.08 1.01 -3.32 0.56 2.04 -2.03 -3.40 117.51 113.45 1nul h ILE 149 Ca -0.50 -0.26 -0.66 0.00 1.00 0.00 0.00 64.86 64.44 1nul h ILE 149 Cb 1.29 0.17 -0.27 0.00 -0.74 0.00 0.00 36.82 37.27 1nul h ILE 149 CO 0.56 0.14 -0.77 -0.55 0.00 0.00 0.00 178.15 177.53 1nul s SER 150 N -6.16 3.99 -0.04 1.72 0.15 -1.26 -5.00 113.70 107.09 1nul s SER 150 Ca -0.10 -0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.26 1nul s SER 150 Cb 0.20 -1.61 0.20 0.00 -1.71 0.00 0.00 66.02 63.09 1nul s SER 150 CO 0.77 0.16 0.90 0.61 1.20 0.00 0.00 173.24 176.89 1nul n GLY 151 N 3.56 1.33 0.00 9.45 0.00 -1.26 -5.20 105.19 113.07 1nul n GLY 151 Ca -0.18 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.63 1nul n GLY 151 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19