#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9c n SER 2 N 0.00 0.00 -4.81 3.54 2.88 -1.26 -5.13 113.62 108.85 1a9c n SER 2 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 1a9c n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1a9c n SER 2 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a9c s LEU 3 N -1.51 4.45 0.75 2.46 1.43 -1.26 -4.92 118.68 120.07 1a9c s LEU 3 Ca 0.00 1.43 -0.11 0.00 -1.03 0.00 0.00 54.13 54.42 1a9c s LEU 3 Cb 0.00 -3.35 0.04 0.00 0.03 0.00 0.00 46.19 42.91 1a9c s LEU 3 CO 0.00 0.13 1.08 -0.94 0.23 0.00 0.00 176.35 176.85 1a9c s SER 4 N -1.41 4.89 0.24 2.29 1.04 -1.26 -4.80 113.70 114.68 1a9c s SER 4 Ca 0.38 1.53 -0.05 0.00 0.48 0.00 0.00 55.95 58.28 1a9c s SER 4 Cb -0.19 -2.33 0.37 0.00 0.10 0.00 0.00 66.02 63.97 1a9c s SER 4 CO 0.22 -1.74 1.79 0.11 0.98 0.00 0.00 173.24 174.60 1a9c h LYS 5 N -0.93 0.67 0.20 4.02 1.57 -1.99 -0.78 116.57 119.33 1a9c h LYS 5 Ca -0.45 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1a9c h LYS 5 Cb 1.24 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1a9c h LYS 5 CO 0.57 0.45 -0.11 0.93 -0.57 0.00 0.00 179.45 180.71 1a9c h GLU 6 N 0.69 -0.29 -0.36 3.15 3.07 -1.97 0.26 114.58 119.13 1a9c h GLU 6 Ca 0.38 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.32 1a9c h GLU 6 Cb 0.37 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.29 1a9c h GLU 6 CO -0.26 -0.19 -0.02 0.00 -1.40 0.00 0.00 179.01 177.14 1a9c h ALA 7 N 0.50 0.31 -0.16 3.43 0.00 -1.74 0.42 119.26 122.02 1a9c h ALA 7 Ca -0.02 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1a9c h ALA 7 Cb 0.24 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1a9c h ALA 7 CO 0.03 -0.41 0.03 0.00 0.00 0.00 0.00 179.25 178.90 1a9c h ALA 8 N 1.32 0.16 0.15 0.00 0.00 -0.94 -0.77 119.26 119.18 1a9c h ALA 8 Ca 0.18 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1a9c h ALA 8 Cb 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1a9c h ALA 8 CO -0.31 -0.41 -0.20 -0.07 0.00 0.00 0.00 179.25 178.26 1a9c h LEU 9 N 0.10 -0.55 -0.24 0.00 3.38 -0.29 -0.92 115.31 116.79 1a9c h LEU 9 Ca 0.07 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1a9c h LEU 9 Cb 0.06 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1a9c h LEU 9 CO -0.09 -0.29 0.06 0.58 0.09 0.00 0.00 178.44 178.80 1a9c h VAL 10 N -0.40 0.91 -0.22 1.22 2.07 -0.83 -0.64 116.25 118.36 1a9c h VAL 10 Ca 0.01 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1a9c h VAL 10 Cb 0.40 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1a9c h VAL 10 CO -0.08 0.03 -0.05 -0.74 0.02 0.00 0.00 177.57 176.74 1a9c h HIS 11 N 0.16 -0.11 -0.47 1.57 -0.00 -0.93 -0.75 115.15 114.62 1a9c h HIS 11 Ca 0.11 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 1a9c h HIS 11 Cb 0.09 0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.56 1a9c h HIS 11 CO -0.14 -0.09 0.29 0.93 -0.00 0.00 0.00 177.93 178.92 1a9c h GLU 12 N 0.00 0.58 -0.31 5.26 5.08 -0.89 -0.93 114.58 123.38 1a9c h GLU 12 Ca 0.11 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1a9c h GLU 12 Cb 0.16 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1a9c h GLU 12 CO -0.22 0.38 0.02 0.00 -1.00 0.00 0.00 179.01 178.19 1a9c h ALA 13 N 1.19 0.29 0.15 3.43 0.00 -0.62 0.16 119.26 123.86 1a9c h ALA 13 Ca 0.18 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1a9c h ALA 13 Cb -0.02 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1a9c h ALA 13 CO -0.06 -0.39 -0.08 -0.07 0.00 0.00 0.00 179.25 178.65 1a9c h LEU 14 N 0.12 -0.18 -0.72 0.00 3.38 -0.83 -1.42 115.31 115.65 1a9c h LEU 14 Ca 0.15 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.21 1a9c h LEU 14 Cb 0.18 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1a9c h LEU 14 CO -0.23 -0.13 0.39 0.58 0.09 0.00 0.00 178.44 179.14 1a9c h VAL 15 N -0.21 0.90 -0.50 1.22 2.07 -0.73 0.11 116.25 119.12 1a9c h VAL 15 Ca -0.02 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1a9c h VAL 15 Cb 0.16 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 1a9c h VAL 15 CO 0.03 0.12 0.27 0.00 0.02 0.00 0.00 177.57 178.01 1a9c h ALA 16 N 1.41 0.64 0.00 1.67 0.00 -0.32 -1.09 119.26 121.57 1a9c h ALA 16 Ca 0.34 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1a9c h ALA 16 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a9c h ALA 16 CO -0.23 -0.07 0.00 0.54 0.00 0.00 0.00 179.25 179.49 1a9c n ARG 17 N -4.86 0.09 -1.71 0.00 3.00 -0.57 -4.91 116.66 107.70 1a9c n ARG 17 Ca 0.04 0.11 -0.02 0.00 -0.01 0.00 0.00 57.85 57.96 1a9c n ARG 17 Cb 0.11 -1.62 -0.00 0.00 0.00 0.00 0.00 32.46 30.96 1a9c n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a9c n GLY 18 N 1.26 0.37 1.12 -0.13 0.00 0.22 -4.95 105.19 103.08 1a9c n GLY 18 Ca 0.06 -0.85 0.09 0.00 0.00 0.00 0.00 46.02 45.32 1a9c n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a9c n LEU 19 N -0.31 3.71 -4.82 0.99 4.77 -0.15 -4.99 117.00 116.19 1a9c n LEU 19 Ca -0.03 -2.10 -0.32 0.00 -0.03 0.00 0.00 56.01 53.53 1a9c n LEU 19 Cb 0.37 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1a9c n LEU 19 CO 0.03 0.87 0.70 -1.61 -1.33 0.00 0.00 177.39 176.05 1a9c s GLU 20 N -1.18 3.65 0.21 3.23 0.41 -1.24 -4.78 118.70 119.00 1a9c s GLU 20 Ca 0.40 1.07 -0.30 0.00 -0.41 0.00 0.00 54.97 55.73 1a9c s GLU 20 Cb 0.22 -2.09 -0.09 0.00 -1.78 0.00 0.00 34.13 30.40 1a9c s GLU 20 CO 0.25 -0.53 1.27 0.99 -0.49 0.00 0.00 175.26 176.76 1a9c s THR 21 N -2.55 3.25 -0.65 3.63 2.01 -1.26 -4.86 115.64 115.21 1a9c s THR 21 Ca 0.61 1.06 -0.28 0.00 0.31 0.00 0.00 61.69 63.39 1a9c s THR 21 Cb -0.13 -3.68 -0.12 0.00 0.01 0.00 0.00 72.50 68.58 1a9c s THR 21 CO 0.34 0.18 2.50 -2.65 -0.69 0.00 0.00 174.62 174.29 1a9c n PRO 22 N 2.36 0.71 -4.58 4.92 -0.02 -1.26 -4.92 135.00 132.21 1a9c n PRO 22 Ca 0.05 0.02 -0.23 0.00 -2.02 0.00 0.00 63.50 61.31 1a9c n PRO 22 Cb 0.43 -2.76 -0.14 0.00 -0.02 0.00 0.00 33.50 31.01 1a9c n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1a9c s LEU 23 N 10.91 2.13 -0.11 2.45 1.43 -1.26 -5.13 118.68 129.09 1a9c s LEU 23 Ca 1.11 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 53.75 1a9c s LEU 23 Cb -0.57 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 1a9c s LEU 23 CO 0.35 0.13 0.03 -0.13 0.23 0.00 0.00 176.35 176.95 1a9c s ARG 24 N -0.92 3.22 0.55 1.70 0.52 -1.26 -5.08 118.95 117.69 1a9c s ARG 24 Ca 0.05 -0.37 -0.20 0.00 -0.52 0.00 0.00 55.73 54.69 1a9c s ARG 24 Cb -0.08 -2.91 -0.06 0.00 0.52 0.00 0.00 34.95 32.42 1a9c s ARG 24 CO 0.01 0.63 1.00 -0.35 0.02 0.00 0.00 175.30 176.61 1a9c n PRO 25 N 2.39 1.09 -1.53 3.54 -0.04 -1.26 -4.69 135.00 134.51 1a9c n PRO 25 Ca -0.18 0.41 -0.28 0.00 -0.04 0.00 0.00 63.50 63.40 1a9c n PRO 25 Cb 0.54 -2.17 -0.13 0.00 -0.04 0.00 0.00 33.50 31.70 1a9c n PRO 25 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1a9c n PRO 26 N -0.69 0.36 -0.23 0.54 -0.04 -1.26 -4.77 135.00 128.92 1a9c n PRO 26 Ca 0.12 -0.20 0.15 0.00 -0.04 0.00 0.00 63.50 63.52 1a9c n PRO 26 Cb 0.45 -2.31 0.28 0.00 -0.04 0.00 0.00 33.50 31.88 1a9c n PRO 26 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1a9c n VAL 27 N 7.36 -0.29 -3.69 0.52 0.31 -1.26 -4.50 118.33 116.78 1a9c n VAL 27 Ca 0.56 1.46 -0.13 0.00 -0.01 0.00 0.00 64.34 66.21 1a9c n VAL 27 Cb 0.27 -2.21 -0.07 0.00 -0.91 0.00 0.00 33.84 30.91 1a9c n VAL 27 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1a9c s HIS 28 N -5.37 -0.26 -1.09 3.52 3.76 -1.26 -5.07 115.29 109.52 1a9c s HIS 28 Ca -0.08 0.28 -0.24 0.00 -0.15 0.00 0.00 55.06 54.87 1a9c s HIS 28 Cb 0.21 0.19 -0.11 0.00 1.11 0.00 0.00 32.58 33.99 1a9c s HIS 28 CO 0.53 -0.52 1.99 -1.21 -0.85 0.00 0.00 174.74 174.68 1a9c s GLU 29 N -2.10 2.23 -0.10 1.40 2.02 -1.26 -4.91 118.70 115.98 1a9c s GLU 29 Ca -0.08 -0.79 -0.05 0.00 0.02 0.00 0.00 54.97 54.07 1a9c s GLU 29 Cb -0.02 -5.14 -0.04 0.00 0.10 0.00 0.00 34.13 29.03 1a9c s GLU 29 CO 0.00 -4.16 0.11 -1.64 0.02 0.00 0.00 175.26 169.59 1a9c s MET 30 N 7.03 3.31 0.47 1.61 -1.94 -1.26 -5.09 119.30 123.44 1a9c s MET 30 Ca 0.72 -0.22 -0.21 0.00 -1.71 0.00 0.00 55.69 54.27 1a9c s MET 30 Cb -0.03 -3.08 -0.09 0.00 2.01 0.00 0.00 34.83 33.65 1a9c s MET 30 CO 0.11 0.75 1.04 -0.51 -0.01 0.00 0.00 175.02 176.41 1a9c s ASP 31 N -1.07 6.39 0.52 3.03 1.11 -1.26 -4.88 116.67 120.51 1a9c s ASP 31 Ca 0.16 1.95 0.18 0.00 0.18 0.00 0.00 52.55 55.01 1a9c s ASP 31 Cb -0.12 -2.56 1.32 0.00 1.07 0.00 0.00 42.92 42.63 1a9c s ASP 31 CO 0.05 -0.75 2.15 0.78 1.18 0.00 0.00 175.17 178.59 1a9c h ASN 32 N 1.70 0.00 -0.24 0.27 4.21 -1.99 -0.77 115.58 118.77 1a9c h ASN 32 Ca -0.49 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.02 1a9c h ASN 32 Cb 1.22 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.41 1a9c h ASN 32 CO 0.59 0.01 0.14 -0.33 -1.29 0.00 0.00 177.43 176.55 1a9c h GLU 33 N 0.00 0.28 -0.25 0.81 5.08 -1.99 0.20 114.58 118.71 1a9c h GLU 33 Ca -0.00 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1a9c h GLU 33 Cb 0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1a9c h GLU 33 CO 0.00 0.19 -0.42 1.79 -1.00 0.00 0.00 179.01 179.56 1a9c h THR 34 N 0.29 1.30 -0.23 1.13 1.35 -1.55 -1.63 112.91 113.56 1a9c h THR 34 Ca 0.09 -1.60 -0.01 0.00 -0.55 0.00 0.00 66.41 64.34 1a9c h THR 34 Cb -0.01 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1a9c h THR 34 CO -0.04 0.51 0.11 0.03 -0.25 0.00 0.00 175.52 175.88 1a9c h ARG 35 N 0.49 0.34 0.16 4.72 3.08 -0.80 -0.86 114.38 121.51 1a9c h ARG 35 Ca 0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1a9c h ARG 35 Cb 0.94 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1a9c h ARG 35 CO 0.08 0.34 -0.15 0.87 -1.07 0.00 0.00 179.97 180.05 1a9c h LYS 36 N 0.25 -0.32 -0.98 0.04 1.57 -0.49 0.79 116.57 117.42 1a9c h LYS 36 Ca 0.08 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.98 1a9c h LYS 36 Cb 0.11 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.42 1a9c h LYS 36 CO -0.01 -0.21 0.62 0.66 -0.57 0.00 0.00 179.45 179.94 1a9c h SER 37 N -0.33 0.94 -0.40 0.86 4.64 -1.16 0.29 113.55 118.38 1a9c h SER 37 Ca 0.00 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1a9c h SER 37 Cb 0.31 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1a9c h SER 37 CO -0.04 0.54 0.07 -0.07 -0.87 0.00 0.00 176.83 176.46 1a9c h LEU 38 N 1.04 0.64 -0.60 5.97 3.38 -0.52 -0.02 115.31 125.20 1a9c h LEU 38 Ca 0.46 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1a9c h LEU 38 Cb 0.36 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1a9c h LEU 38 CO -0.23 0.73 0.27 0.40 0.09 0.00 0.00 178.44 179.71 1a9c h ILE 39 N 0.52 1.22 -0.65 1.22 2.04 0.15 -1.80 117.51 120.21 1a9c h ILE 39 Ca 0.12 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1a9c h ILE 39 Cb 0.37 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1a9c h ILE 39 CO 0.01 0.25 0.43 0.00 0.00 0.00 0.00 178.15 178.84 1a9c h ALA 40 N 1.11 0.82 -0.17 1.87 0.00 -0.25 -0.55 119.26 122.09 1a9c h ALA 40 Ca 0.20 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1a9c h ALA 40 Cb 0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1a9c h ALA 40 CO -0.02 0.24 -0.10 0.78 0.00 0.00 0.00 179.25 180.15 1a9c h GLY 41 N 0.87 0.04 1.14 0.00 0.00 -0.37 0.75 103.07 105.50 1a9c h GLY 41 Ca 0.24 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1a9c h GLY 41 CO -0.05 -0.12 0.49 0.45 0.00 0.00 0.00 176.54 177.30 1a9c h HIS 42 N -0.10 1.11 -0.77 5.60 -0.00 -0.91 -1.69 115.15 118.39 1a9c h HIS 42 Ca 0.10 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.41 1a9c h HIS 42 Cb 0.25 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 27.26 1a9c h HIS 42 CO -0.25 0.75 0.29 0.52 -0.00 0.00 0.00 177.93 179.24 1a9c h MET 43 N 1.15 1.17 -0.29 2.45 2.86 -0.18 -0.29 114.93 121.80 1a9c h MET 43 Ca 0.30 -0.22 0.05 0.00 -2.06 0.00 0.00 59.70 57.76 1a9c h MET 43 Cb -0.02 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.41 1a9c h MET 43 CO -0.05 0.96 0.01 1.15 1.06 0.00 0.00 176.91 180.03 1a9c h THR 44 N 1.13 0.80 0.24 2.22 2.02 -0.03 0.16 112.91 119.45 1a9c h THR 44 Ca 0.26 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1a9c h THR 44 Cb 0.24 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1a9c h THR 44 CO -0.02 0.02 -0.24 -0.33 0.37 0.00 0.00 175.52 175.32 1a9c h GLU 45 N 0.10 -0.50 -0.51 6.66 4.39 -0.84 -0.66 114.58 123.21 1a9c h GLU 45 Ca 0.14 0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.95 1a9c h GLU 45 Cb 0.18 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 1a9c h GLU 45 CO -0.23 -0.33 0.17 0.82 -1.16 0.00 0.00 179.01 178.28 1a9c h ILE 46 N -0.52 0.80 -0.73 3.13 2.04 -0.47 0.99 117.51 122.75 1a9c h ILE 46 Ca -0.00 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1a9c h ILE 46 Cb 0.48 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1a9c h ILE 46 CO -0.06 0.06 0.36 0.24 0.00 0.00 0.00 178.15 178.75 1a9c h MET 47 N 0.34 1.03 -0.60 2.37 2.86 -0.47 -1.43 114.93 119.03 1a9c h MET 47 Ca 0.25 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.67 1a9c h MET 47 Cb 0.29 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1a9c h MET 47 CO -0.27 0.78 0.01 1.96 1.06 0.00 0.00 176.91 180.46 1a9c h GLN 48 N 1.03 1.03 0.00 1.72 4.20 0.13 -1.89 115.11 121.32 1a9c h GLN 48 Ca 0.25 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1a9c h GLN 48 Cb 0.08 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1a9c h GLN 48 CO -0.03 1.00 -0.04 -0.07 -0.67 0.00 0.00 178.83 179.02 1a9c h LEU 49 N 0.95 0.00 -0.82 1.46 3.38 0.13 0.95 115.31 121.36 1a9c h LEU 49 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1a9c h LEU 49 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1a9c h LEU 49 CO 0.03 0.04 -0.08 0.18 0.09 0.00 0.00 178.44 178.70 1a9c n LEU 50 N -3.35 1.35 -0.86 1.67 4.77 -0.63 -4.94 117.00 115.00 1a9c n LEU 50 Ca -0.02 -0.42 -0.09 0.00 -0.03 0.00 0.00 56.01 55.45 1a9c n LEU 50 Cb 0.17 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1a9c n LEU 50 CO 0.26 0.23 -0.10 0.59 -1.33 0.00 0.00 177.39 177.04 1a9c n ASN 51 N -0.08 -3.46 -4.73 -1.43 3.02 0.33 -5.01 115.26 103.89 1a9c n ASN 51 Ca 0.17 0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 54.39 1a9c n ASN 51 Cb 0.35 -2.34 -0.04 0.00 -0.61 0.00 0.00 39.78 37.14 1a9c n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a9c s LEU 52 N -2.29 4.51 -1.05 3.41 1.43 -0.81 -4.95 118.68 118.91 1a9c s LEU 52 Ca 0.00 1.85 -0.22 0.00 -1.03 0.00 0.00 54.13 54.73 1a9c s LEU 52 Cb 0.00 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.67 1a9c s LEU 52 CO 0.00 -0.08 1.56 -0.62 0.23 0.00 0.00 176.35 177.44 1a9c s ASP 53 N -0.08 6.37 0.00 2.29 2.15 -1.26 -4.59 116.67 121.54 1a9c s ASP 53 Ca 0.47 -1.52 0.03 0.00 0.43 0.00 0.00 52.55 51.96 1a9c s ASP 53 Cb -0.25 -2.57 0.19 0.00 -0.30 0.00 0.00 42.92 39.99 1a9c s ASP 53 CO 0.31 -1.63 0.85 0.18 -0.17 0.00 0.00 175.17 174.71 1a9c n LEU 54 N 9.49 0.00 0.04 -1.34 4.77 -1.26 -1.18 117.00 127.52 1a9c n LEU 54 Ca 0.36 0.19 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 1a9c n LEU 54 Cb 0.50 -0.19 0.38 0.00 -2.33 0.00 0.00 43.42 41.77 1a9c n LEU 54 CO 0.67 -0.17 0.68 0.00 -1.33 0.00 0.00 177.39 177.24 1a9c n ALA 55 N -1.19 2.72 -2.01 -1.18 0.00 -1.26 -3.51 120.51 114.08 1a9c n ALA 55 Ca 0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1a9c n ALA 55 Cb 0.02 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 1a9c n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1a9c s ASP 56 N -3.70 6.67 0.34 0.00 2.15 -0.32 -4.85 116.67 116.96 1a9c s ASP 56 Ca 0.11 2.52 0.14 0.00 0.43 0.00 0.00 52.55 55.75 1a9c s ASP 56 Cb 0.16 -2.59 1.12 0.00 -0.30 0.00 0.00 42.92 41.30 1a9c s ASP 56 CO 0.63 -0.75 1.61 -2.24 -0.17 0.00 0.00 175.17 174.25 1a9c h ASP 57 N 6.60 0.23 0.13 -0.34 2.03 -1.90 0.54 116.42 123.72 1a9c h ASP 57 Ca -0.43 0.24 -0.01 0.00 -0.73 0.00 0.00 57.03 56.10 1a9c h ASP 57 Cb 1.21 0.26 0.00 0.00 -0.83 0.00 0.00 39.33 39.97 1a9c h ASP 57 CO 0.88 -0.31 -0.06 -1.28 -1.03 0.00 0.00 179.24 177.44 1a9c h SER 58 N 0.12 -0.15 -0.73 4.15 0.87 -1.95 -3.35 113.55 112.50 1a9c h SER 58 Ca 0.75 0.01 0.20 0.00 -1.23 0.00 0.00 61.79 61.51 1a9c h SER 58 Cb 1.82 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 63.78 1a9c h SER 58 CO -0.73 0.21 0.52 -0.07 -0.53 0.00 0.00 176.83 176.22 1a9c h LEU 59 N -0.81 0.10 -0.96 2.23 3.38 -1.77 -3.02 115.31 114.45 1a9c h LEU 59 Ca -0.02 0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.24 1a9c h LEU 59 Cb 0.14 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 40.73 1a9c h LEU 59 CO 0.03 0.04 0.47 -0.03 0.09 0.00 0.00 178.44 179.04 1a9c h MET 60 N 0.10 0.34 -0.13 1.13 4.05 -0.94 -1.83 114.93 117.64 1a9c h MET 60 Ca 0.35 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.75 1a9c h MET 60 Cb 1.26 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1a9c h MET 60 CO -0.04 0.22 0.00 0.39 0.23 0.00 0.00 176.91 177.71 1a9c n GLU 61 N -5.07 2.31 -0.16 0.39 1.02 -1.14 -4.55 120.64 113.45 1a9c n GLU 61 Ca 0.27 -1.93 -0.03 0.00 -0.02 0.00 0.00 57.16 55.46 1a9c n GLU 61 Cb 0.84 -1.47 0.06 0.00 -0.02 0.00 0.00 31.44 30.84 1a9c n GLU 61 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1a9c h THR 62 N 4.40 0.82 -0.80 2.62 2.02 -1.49 -0.74 112.91 119.73 1a9c h THR 62 Ca 0.00 -0.11 0.09 0.00 0.77 0.00 0.00 66.41 67.15 1a9c h THR 62 Cb 0.94 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 1a9c h THR 62 CO 0.00 0.06 0.52 -0.65 0.37 0.00 0.00 175.52 175.82 1a9c h PRO 63 N 0.33 0.75 0.16 6.66 0.11 -1.80 0.13 132.00 138.35 1a9c h PRO 63 Ca 0.24 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1a9c h PRO 63 Cb 0.26 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1a9c h PRO 63 CO -0.25 0.50 -0.08 0.45 -0.21 0.00 0.00 178.00 178.41 1a9c h HIS 64 N 0.77 -0.20 -0.71 0.65 3.86 -1.58 -1.75 115.15 116.19 1a9c h HIS 64 Ca 0.36 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.67 1a9c h HIS 64 Cb 0.39 0.07 -0.07 0.00 1.06 0.00 0.00 27.41 28.85 1a9c h HIS 64 CO -0.00 0.14 0.34 0.00 0.86 0.00 0.00 177.93 179.27 1a9c h ARG 65 N -0.58 0.56 -0.41 2.45 3.08 -0.31 -0.80 114.38 118.37 1a9c h ARG 65 Ca -0.02 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1a9c h ARG 65 Cb 0.44 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1a9c h ARG 65 CO 0.04 0.37 0.07 0.82 -1.07 0.00 0.00 179.97 180.20 1a9c h ILE 66 N 0.57 1.24 -0.19 2.04 2.04 -0.75 0.27 117.51 122.73 1a9c h ILE 66 Ca 0.35 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.37 1a9c h ILE 66 Cb 0.39 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1a9c h ILE 66 CO -0.28 0.29 0.08 0.00 0.00 0.00 0.00 178.15 178.24 1a9c h ALA 67 N 0.93 0.21 -0.50 1.87 0.00 -0.53 0.18 119.26 121.43 1a9c h ALA 67 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1a9c h ALA 67 Cb 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1a9c h ALA 67 CO 0.01 -0.35 0.28 -0.22 0.00 0.00 0.00 179.25 178.97 1a9c h LYS 68 N 0.18 0.68 0.09 0.00 3.64 -1.08 -1.86 116.57 118.22 1a9c h LYS 68 Ca 0.08 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1a9c h LYS 68 Cb 0.03 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1a9c h LYS 68 CO -0.07 0.52 -0.15 1.98 -2.27 0.00 0.00 179.45 179.46 1a9c h MET 69 N 0.66 -0.28 0.44 1.90 4.05 -0.42 0.34 114.93 121.61 1a9c h MET 69 Ca 0.18 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 1a9c h MET 69 Cb 0.02 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1a9c h MET 69 CO -0.03 -0.19 -0.24 1.88 0.23 0.00 0.00 176.91 178.56 1a9c h TYR 70 N -0.29 -0.62 0.13 1.39 -1.99 -0.84 0.67 116.97 115.42 1a9c h TYR 70 Ca 0.02 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1a9c h TYR 70 Cb 0.31 0.21 0.00 0.00 2.00 0.00 0.00 36.73 39.26 1a9c h TYR 70 CO -0.16 -0.38 -0.06 0.28 -0.00 0.00 0.00 178.16 177.84 1a9c h VAL 71 N -0.63 1.04 0.14 -2.88 2.07 -1.30 -2.35 116.25 112.34 1a9c h VAL 71 Ca -0.05 -0.92 -0.32 0.00 0.82 0.00 0.00 66.70 66.23 1a9c h VAL 71 Cb 0.50 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1a9c h VAL 71 CO 0.08 0.21 -1.61 0.44 0.02 0.00 0.00 177.57 176.71 1a9c h ASP 72 N -0.63 0.46 0.00 0.57 3.32 -0.42 -3.35 116.42 116.36 1a9c h ASP 72 Ca -0.02 -0.66 0.00 0.00 0.02 0.00 0.00 57.03 56.38 1a9c h ASP 72 Cb 0.48 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1a9c h ASP 72 CO 0.03 1.55 0.00 -0.62 -1.72 0.00 0.00 179.24 178.48 1a9c n GLU 73 N -3.49 0.00 0.32 3.56 1.02 0.06 -4.49 120.64 117.62 1a9c n GLU 73 Ca -0.19 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.10 1a9c n GLU 73 Cb 1.05 0.00 0.81 0.00 -0.02 0.00 0.00 31.44 33.28 1a9c n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1a9c h ILE 74 N 0.00 0.03 -0.01 -3.67 3.07 -1.28 -1.68 117.51 113.97 1a9c h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1a9c h ILE 74 Cb 0.00 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 37.21 1a9c h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1a9c n PHE 75 N -2.94 0.02 0.32 0.16 3.72 -0.88 -2.85 117.46 115.01 1a9c n PHE 75 Ca -0.01 -0.83 0.20 0.00 -0.05 0.00 0.00 57.45 56.76 1a9c n PHE 75 Cb 0.40 -0.12 1.08 0.00 -0.94 0.00 0.00 39.48 39.90 1a9c n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1a9c h SER 76 N 0.05 0.00 0.32 4.37 4.64 -1.22 -1.85 113.55 119.86 1a9c h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a9c h SER 76 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1a9c h SER 76 CO 0.00 0.01 0.00 1.23 -0.87 0.00 0.00 176.83 177.20 1a9c h GLY 77 N 0.31 0.00 2.00 -0.77 0.00 -0.91 -2.02 103.07 101.68 1a9c h GLY 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a9c h GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1a9c h LEU 78 N 0.00 0.00 -8.41 3.11 3.38 -1.44 -3.41 115.31 108.54 1a9c h LEU 78 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1a9c h LEU 78 Cb 0.16 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.66 1a9c h LEU 78 CO 0.00 0.00 -0.55 -0.62 0.09 0.00 0.00 178.44 177.36 1a9c s ASP 79 N -5.40 5.54 0.00 -0.43 -1.08 -0.76 -4.95 116.67 109.59 1a9c s ASP 79 Ca 0.03 -0.83 0.07 0.00 -0.52 0.00 0.00 52.55 51.30 1a9c s ASP 79 Cb 0.09 -1.98 0.39 0.00 -1.46 0.00 0.00 42.92 39.96 1a9c s ASP 79 CO 0.52 -0.30 1.05 -1.22 0.52 0.00 0.00 175.17 175.74 1a9c n TYR 80 N 4.95 0.00 0.27 -5.34 4.02 -1.26 -0.58 117.16 119.22 1a9c n TYR 80 Ca -0.13 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 57.93 1a9c n TYR 80 Cb 0.47 -0.21 0.61 0.00 -0.02 0.00 0.00 39.34 40.19 1a9c n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a9c h ALA 81 N 2.38 1.00 -0.38 -0.72 0.00 -1.92 -2.22 119.26 117.39 1a9c h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a9c h ALA 81 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1a9c h ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1a9c n ASN 82 N -3.09 2.76 -4.77 0.00 3.02 0.25 -4.96 115.26 108.48 1a9c n ASN 82 Ca 0.01 -1.92 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 1a9c n ASN 82 Cb 0.34 -0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 39.24 1a9c n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1a9c s PHE 83 N -1.50 2.92 0.76 3.10 5.36 -0.84 -4.96 117.98 122.82 1a9c s PHE 83 Ca 0.36 1.31 -0.13 0.00 -0.96 0.00 0.00 56.93 57.52 1a9c s PHE 83 Cb 0.20 -3.78 0.05 0.00 -0.34 0.00 0.00 43.02 39.15 1a9c s PHE 83 CO 0.28 -2.23 1.14 -1.25 -1.46 0.00 0.00 175.22 171.69 1a9c s PRO 84 N -1.74 2.15 -0.23 10.12 0.04 -1.26 -4.97 135.00 139.10 1a9c s PRO 84 Ca 0.51 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 1a9c s PRO 84 Cb -0.42 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1a9c s PRO 84 CO 0.55 -1.76 1.03 0.15 0.04 0.00 0.00 177.00 177.00 1a9c s LYS 85 N -4.38 4.25 -0.05 4.56 1.02 -1.26 -4.92 119.74 118.96 1a9c s LYS 85 Ca 0.67 1.33 -0.15 0.00 0.02 0.00 0.00 55.97 57.84 1a9c s LYS 85 Cb -0.22 -3.64 -0.05 0.00 -0.52 0.00 0.00 37.83 33.39 1a9c s LYS 85 CO 0.49 -0.64 0.39 0.42 -0.92 0.00 0.00 175.35 175.10 1a9c s ILE 86 N 3.20 5.12 -0.07 2.17 1.09 -1.26 -4.95 121.20 126.50 1a9c s ILE 86 Ca 0.44 0.80 0.03 0.00 -1.10 0.00 0.00 60.65 60.81 1a9c s ILE 86 Cb -0.15 -3.71 0.01 0.00 -1.06 0.00 0.00 42.46 37.55 1a9c s ILE 86 CO 0.06 0.51 -0.14 0.42 -0.10 0.00 0.00 174.94 175.70 1a9c s THR 87 N -0.55 1.24 -0.02 2.92 -4.23 -1.26 -5.10 115.64 108.64 1a9c s THR 87 Ca 0.23 -0.54 0.06 0.00 -1.18 0.00 0.00 61.69 60.26 1a9c s THR 87 Cb -0.16 -1.12 -0.01 0.00 1.34 0.00 0.00 72.50 72.55 1a9c s THR 87 CO 0.11 0.38 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.60 1a9c s LEU 88 N 0.60 2.03 -0.03 4.79 1.43 -1.26 -1.85 118.68 124.39 1a9c s LEU 88 Ca -0.15 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1a9c s LEU 88 Cb -0.16 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 1a9c s LEU 88 CO 0.04 0.25 -0.03 0.27 0.23 0.00 0.00 176.35 177.11 1a9c s ILE 89 N -0.40 3.97 0.22 -0.59 -4.36 0.38 -4.94 121.20 115.49 1a9c s ILE 89 Ca 0.05 -0.56 -0.32 0.00 -0.26 0.00 0.00 60.65 59.57 1a9c s ILE 89 Cb -0.09 -2.71 -0.12 0.00 1.25 0.00 0.00 42.46 40.79 1a9c s ILE 89 CO 0.00 0.46 1.69 -0.70 0.24 0.00 0.00 174.94 176.63 1a9c s GLU 90 N -1.27 4.13 -1.08 0.37 2.12 -1.26 -0.79 118.70 120.92 1a9c s GLU 90 Ca 0.16 2.59 -0.15 0.00 0.36 0.00 0.00 54.97 57.94 1a9c s GLU 90 Cb -0.11 -3.07 -0.07 0.00 0.26 0.00 0.00 34.13 31.14 1a9c s GLU 90 CO 0.07 -0.72 2.18 -1.71 -0.54 0.00 0.00 175.26 174.53 1a9c n ASN 91 N 3.60 4.23 0.10 -1.70 5.15 -0.38 -4.53 115.26 121.73 1a9c n ASN 91 Ca 0.14 -2.62 -0.04 0.00 -0.60 0.00 0.00 54.58 51.47 1a9c n ASN 91 Cb 0.36 -1.30 0.05 0.00 -0.53 0.00 0.00 39.78 38.36 1a9c n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1a9c h LYS 92 N 6.68 0.01 0.00 1.20 1.57 -1.88 -3.03 116.57 121.12 1a9c h LYS 92 Ca 0.53 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1a9c h LYS 92 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1a9c h LYS 92 CO 1.80 0.78 0.00 -1.33 -0.57 0.00 0.00 179.45 180.13 1a9c n MET 93 N -3.62 0.03 -3.63 3.15 2.81 -1.26 -4.84 117.12 109.74 1a9c n MET 93 Ca -0.01 0.44 -0.22 0.00 -1.81 0.00 0.00 57.70 56.11 1a9c n MET 93 Cb 0.75 -1.57 0.06 0.00 -0.71 0.00 0.00 33.22 31.74 1a9c n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1a9c n LYS 94 N -1.63 -5.93 -2.34 0.03 5.02 -1.14 -4.92 118.16 107.25 1a9c n LYS 94 Ca 0.01 0.71 -0.42 0.00 -2.02 0.00 0.00 58.31 56.59 1a9c n LYS 94 Cb 0.06 -5.53 -0.03 0.00 -0.02 0.00 0.00 35.03 29.52 1a9c n LYS 94 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a9c s VAL 95 N -3.48 3.91 -0.03 -0.18 1.01 -1.26 -4.88 120.40 115.50 1a9c s VAL 95 Ca 0.17 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.51 1a9c s VAL 95 Cb -0.08 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.51 1a9c s VAL 95 CO 0.78 0.04 0.92 -0.90 0.00 0.00 0.00 175.10 175.94 1a9c n ASP 96 N 4.69 1.40 -4.46 3.32 5.68 -1.26 -4.52 116.55 121.40 1a9c n ASP 96 Ca 0.11 -2.01 -0.27 0.00 -0.50 0.00 0.00 54.79 52.13 1a9c n ASP 96 Cb 0.45 -0.11 -0.11 0.00 -1.14 0.00 0.00 41.12 40.20 1a9c n ASP 96 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1a9c s GLU 97 N -1.07 1.64 0.47 0.11 0.41 -1.26 -4.93 118.70 114.08 1a9c s GLU 97 Ca 0.07 -1.48 -0.23 0.00 -0.41 0.00 0.00 54.97 52.91 1a9c s GLU 97 Cb 0.06 -1.91 -0.07 0.00 -1.78 0.00 0.00 34.13 30.43 1a9c s GLU 97 CO 0.01 0.40 1.24 0.00 -0.49 0.00 0.00 175.26 176.42 1a9c s MET 98 N -2.75 3.63 -0.15 1.61 0.23 -1.26 -4.36 119.30 116.25 1a9c s MET 98 Ca 0.22 1.96 -0.04 0.00 -1.03 0.00 0.00 55.69 56.81 1a9c s MET 98 Cb -0.08 -2.43 -0.03 0.00 -1.53 0.00 0.00 34.83 30.76 1a9c s MET 98 CO 0.11 -0.71 -0.04 0.08 -2.03 0.00 0.00 175.02 172.44 1a9c s VAL 99 N -1.43 3.91 -0.12 5.16 1.01 0.34 -4.93 120.40 124.35 1a9c s VAL 99 Ca 0.64 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1a9c s VAL 99 Cb -0.33 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.34 1a9c s VAL 99 CO 0.41 0.49 -0.18 -0.89 0.00 0.00 0.00 175.10 174.93 1a9c s THR 100 N 0.34 1.75 -0.31 3.92 2.01 -1.26 -1.47 115.64 120.61 1a9c s THR 100 Ca -0.04 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 1a9c s THR 100 Cb -0.14 -1.57 0.02 0.00 0.01 0.00 0.00 72.50 70.83 1a9c s THR 100 CO 0.03 0.49 0.09 -0.69 -0.69 0.00 0.00 174.62 173.85 1a9c s VAL 101 N 0.89 3.89 0.25 3.82 1.01 0.42 -5.00 120.40 125.68 1a9c s VAL 101 Ca -0.07 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1a9c s VAL 101 Cb -0.15 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1a9c s VAL 101 CO -0.01 -0.04 0.08 0.00 0.00 0.00 0.00 175.10 175.13 1a9c s ARG 102 N 1.46 2.56 -1.36 2.72 1.70 -1.26 -1.08 118.95 123.69 1a9c s ARG 102 Ca 0.01 -1.23 -0.07 0.00 -0.47 0.00 0.00 55.73 53.97 1a9c s ARG 102 Cb -0.18 -2.35 0.03 0.00 -0.57 0.00 0.00 34.95 31.88 1a9c s ARG 102 CO 0.03 0.39 1.01 -0.25 -1.08 0.00 0.00 175.30 175.40 1a9c n ASP 103 N -0.91 -4.18 -4.68 -2.89 8.00 -1.10 -4.94 116.55 105.85 1a9c n ASP 103 Ca -0.07 -0.67 -0.42 0.00 0.71 0.00 0.00 54.79 54.33 1a9c n ASP 103 Cb 0.58 -4.58 -0.03 0.00 -0.02 0.00 0.00 41.12 37.07 1a9c n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a9c s ILE 104 N -3.38 4.25 0.18 0.53 1.01 0.48 -4.82 121.20 119.44 1a9c s ILE 104 Ca 0.39 1.56 -0.32 0.00 0.00 0.00 0.00 60.65 62.28 1a9c s ILE 104 Cb -0.18 -4.00 -0.11 0.00 0.01 0.00 0.00 42.46 38.17 1a9c s ILE 104 CO 0.77 -0.03 1.76 -0.89 0.00 0.00 0.00 174.94 176.55 1a9c s THR 105 N 2.50 2.23 -0.07 2.92 2.01 -1.26 -0.87 115.64 123.10 1a9c s THR 105 Ca 0.56 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.58 1a9c s THR 105 Cb -0.24 -3.03 0.03 0.00 0.01 0.00 0.00 72.50 69.27 1a9c s THR 105 CO 0.20 0.00 0.02 -0.22 -0.69 0.00 0.00 174.62 173.93 1a9c s LEU 106 N 1.77 0.49 -0.12 4.42 0.20 -0.57 -4.79 118.68 120.08 1a9c s LEU 106 Ca 0.77 -0.07 0.00 0.00 0.69 0.00 0.00 54.13 55.52 1a9c s LEU 106 Cb -0.48 -0.37 0.02 0.00 -0.43 0.00 0.00 46.19 44.93 1a9c s LEU 106 CO 0.34 -0.21 -0.10 0.42 -0.29 0.00 0.00 176.35 176.51 1a9c s THR 107 N 2.02 1.18 0.31 3.68 -4.23 -1.26 -0.53 115.64 116.81 1a9c s THR 107 Ca 0.05 -0.40 0.04 0.00 -1.18 0.00 0.00 61.69 60.20 1a9c s THR 107 Cb -0.12 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.54 1a9c s THR 107 CO -0.05 0.39 0.15 -0.24 -0.54 0.00 0.00 174.62 174.33 1a9c n SER 108 N 4.78 0.69 -4.11 3.99 2.88 -0.30 -4.46 113.62 117.09 1a9c n SER 108 Ca -0.15 -2.76 -0.25 0.00 -1.33 0.00 0.00 58.87 54.38 1a9c n SER 108 Cb 0.50 0.97 -0.16 0.00 -0.75 0.00 0.00 64.21 64.78 1a9c n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1a9c s THR 109 N -2.87 1.34 0.12 2.46 2.01 -1.24 -0.58 115.64 116.88 1a9c s THR 109 Ca 0.21 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 1a9c s THR 109 Cb 0.01 -1.16 -0.06 0.00 0.01 0.00 0.00 72.50 71.30 1a9c s THR 109 CO 0.15 0.39 1.08 -0.94 -0.69 0.00 0.00 174.62 174.61 1a9c s SER 110 N 0.08 7.28 0.52 3.53 1.04 0.37 -0.06 113.70 126.46 1a9c s SER 110 Ca -0.04 1.98 0.31 0.00 0.48 0.00 0.00 55.95 58.68 1a9c s SER 110 Cb -0.11 -2.59 1.14 0.00 0.10 0.00 0.00 66.02 64.55 1a9c s SER 110 CO 0.02 -0.25 1.90 1.05 0.98 0.00 0.00 173.24 176.94 1a9c h GLU 111 N 5.71 0.00 -0.14 4.02 4.11 -1.32 0.17 114.58 127.13 1a9c h GLU 111 Ca -0.43 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.84 1a9c h GLU 111 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1a9c h GLU 111 CO 0.74 0.02 -0.60 0.45 0.07 0.00 0.00 179.01 179.69 1a9c h HIS 112 N 0.00 0.58 0.00 2.06 3.86 -1.91 -3.37 115.15 116.37 1a9c h HIS 112 Ca -0.00 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1a9c h HIS 112 Cb 0.63 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1a9c h HIS 112 CO 0.00 0.94 0.00 0.72 0.86 0.00 0.00 177.93 180.45 1a9c n HIS 113 N -3.92 0.00 -3.63 2.45 8.25 -1.23 -5.02 115.22 112.12 1a9c n HIS 113 Ca -0.03 -0.01 -0.23 0.00 -0.26 0.00 0.00 57.72 57.20 1a9c n HIS 113 Cb 0.63 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.80 1a9c n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1a9c n PHE 114 N -0.01 -2.41 -4.39 4.41 3.01 0.58 -5.00 117.46 113.66 1a9c n PHE 114 Ca 0.00 0.94 -0.28 0.00 1.01 0.00 0.00 57.45 59.13 1a9c n PHE 114 Cb 0.18 -4.74 -0.12 0.00 -0.01 0.00 0.00 39.48 34.78 1a9c n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1a9c s VAL 115 N -3.39 2.47 0.27 -4.37 1.01 -1.23 -4.84 120.40 110.32 1a9c s VAL 115 Ca 0.33 -1.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.13 1a9c s VAL 115 Cb -0.15 -2.17 -0.14 0.00 0.00 0.00 0.00 36.38 33.92 1a9c s VAL 115 CO 0.76 -0.05 1.22 0.41 0.00 0.00 0.00 175.10 177.44 1a9c n THR 116 N 0.42 1.54 -4.03 3.92 -1.04 -1.26 -0.48 114.28 113.35 1a9c n THR 116 Ca -0.14 -0.38 -0.30 0.00 -2.04 0.00 0.00 64.05 61.19 1a9c n THR 116 Cb 0.55 -1.27 -0.16 0.00 -1.82 0.00 0.00 70.33 67.63 1a9c n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1a9c s ILE 117 N -0.66 1.59 -0.17 12.58 1.01 0.25 -1.23 121.20 134.58 1a9c s ILE 117 Ca 0.63 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.64 1a9c s ILE 117 Cb -0.67 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.33 1a9c s ILE 117 CO 0.56 0.46 -0.18 -0.62 0.00 0.00 0.00 174.94 175.17 1a9c s ASP 118 N 1.47 2.97 0.00 3.58 2.15 -0.45 -1.15 116.67 125.24 1a9c s ASP 118 Ca 0.05 -0.59 0.00 0.00 0.43 0.00 0.00 52.55 52.44 1a9c s ASP 118 Cb -0.13 -1.37 0.00 0.00 -0.30 0.00 0.00 42.92 41.12 1a9c s ASP 118 CO -0.11 -0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 1a9c n GLY 119 N 4.62 2.79 2.92 2.66 0.00 0.31 -0.56 105.19 117.92 1a9c n GLY 119 Ca -0.20 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 1a9c n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a9c s LYS 120 N -1.28 0.07 0.10 1.61 1.02 -0.09 -1.51 119.74 119.65 1a9c s LYS 120 Ca 0.00 0.18 0.05 0.00 0.02 0.00 0.00 55.97 56.22 1a9c s LYS 120 Cb 0.00 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.22 1a9c s LYS 120 CO 0.00 -0.07 -0.02 0.00 -0.92 0.00 0.00 175.35 174.34 1a9c s ALA 121 N 0.45 3.22 -0.14 5.17 0.00 -0.05 -1.75 121.76 128.66 1a9c s ALA 121 Ca -0.03 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1a9c s ALA 121 Cb -0.05 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.97 1a9c s ALA 121 CO -0.02 0.68 -0.13 0.99 0.00 0.00 0.00 175.76 177.29 1a9c s THR 122 N -1.31 1.44 -0.07 0.00 2.01 0.15 -0.39 115.64 117.46 1a9c s THR 122 Ca 0.25 -0.55 0.05 0.00 0.31 0.00 0.00 61.69 61.75 1a9c s THR 122 Cb -0.11 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.02 1a9c s THR 122 CO 0.17 0.44 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.61 1a9c s VAL 123 N 1.54 2.02 0.01 3.82 1.01 -0.24 -1.46 120.40 127.11 1a9c s VAL 123 Ca 0.05 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1a9c s VAL 123 Cb -0.13 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1a9c s VAL 123 CO -0.10 0.56 -0.03 0.00 0.00 0.00 0.00 175.10 175.53 1a9c s ALA 124 N 0.03 0.19 0.10 5.51 0.00 -0.60 -0.44 121.76 126.56 1a9c s ALA 124 Ca -0.09 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 1a9c s ALA 124 Cb -0.15 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.04 1a9c s ALA 124 CO 0.06 -0.04 0.36 1.52 0.00 0.00 0.00 175.76 177.66 1a9c s TYR 125 N -0.72 -0.15 -0.32 0.00 1.13 -0.54 -0.95 117.35 115.79 1a9c s TYR 125 Ca -0.07 -0.13 -0.07 0.00 -1.41 0.00 0.00 57.07 55.39 1a9c s TYR 125 Cb -0.05 0.19 0.02 0.00 -1.10 0.00 0.00 41.96 41.02 1a9c s TYR 125 CO -0.00 -0.64 0.11 0.42 -2.51 0.00 0.00 175.55 172.92 1a9c s ILE 126 N -3.53 4.02 0.26 -3.49 1.01 -1.00 -0.50 121.20 117.96 1a9c s ILE 126 Ca 0.01 -0.87 -0.31 0.00 0.00 0.00 0.00 60.65 59.49 1a9c s ILE 126 Cb 0.02 -3.17 -0.13 0.00 0.01 0.00 0.00 42.46 39.18 1a9c s ILE 126 CO -0.10 -0.06 1.41 -2.65 0.00 0.00 0.00 174.94 173.53 1a9c n PRO 127 N 4.87 2.09 0.00 2.79 -0.02 -1.26 -4.85 135.00 138.62 1a9c n PRO 127 Ca -0.13 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1a9c n PRO 127 Cb 0.46 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1a9c n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1a9c n LYS 128 N 1.86 0.00 0.04 -0.52 4.81 -1.26 -4.71 118.16 118.37 1a9c n LYS 128 Ca 0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1a9c n LYS 128 Cb 0.32 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.27 1a9c n LYS 128 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1a9c h ASP 129 N 0.00 0.00 -4.33 3.14 3.32 -1.90 -3.45 116.42 113.20 1a9c h ASP 129 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 1a9c h ASP 129 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1a9c h ASP 129 CO 0.00 0.88 -0.69 -0.94 -1.72 0.00 0.00 179.24 176.78 1a9c s SER 130 N -6.34 1.41 -0.13 6.45 1.04 -1.26 -1.25 113.70 113.60 1a9c s SER 130 Ca -0.01 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1a9c s SER 130 Cb 0.09 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 1a9c s SER 130 CO 0.81 -0.46 -0.14 -0.69 0.98 0.00 0.00 173.24 173.74 1a9c s VAL 131 N -3.53 2.88 0.26 5.02 1.01 0.03 -4.73 120.40 121.34 1a9c s VAL 131 Ca 0.18 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 1a9c s VAL 131 Cb 0.05 -2.21 -0.08 0.00 0.00 0.00 0.00 36.38 34.14 1a9c s VAL 131 CO 0.01 0.52 0.67 -0.51 0.00 0.00 0.00 175.10 175.79 1a9c s ILE 132 N 0.48 4.73 0.11 2.22 2.07 -1.26 -0.47 121.20 129.07 1a9c s ILE 132 Ca -0.10 0.91 -0.31 0.00 -1.41 0.00 0.00 60.65 59.74 1a9c s ILE 132 Cb -0.16 -3.68 -0.09 0.00 0.13 0.00 0.00 42.46 38.66 1a9c s ILE 132 CO 0.05 -0.02 1.63 -0.83 -1.91 0.00 0.00 174.94 173.85 1a9c s GLY 133 N -2.08 1.55 0.25 1.50 0.00 -0.77 -4.91 107.32 102.85 1a9c s GLY 133 Ca 0.48 1.28 -0.13 0.00 0.00 0.00 0.00 44.72 46.35 1a9c s GLY 133 CO 0.19 2.81 1.57 1.41 0.00 0.00 0.00 173.10 179.07 1a9c h LEU 134 N 7.91 -1.11 -2.09 0.66 3.38 -1.95 0.28 115.31 122.40 1a9c h LEU 134 Ca -0.43 0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1a9c h LEU 134 Cb 1.20 0.64 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 1a9c h LEU 134 CO 0.92 -0.30 0.04 0.77 0.09 0.00 0.00 178.44 179.96 1a9c h SER 135 N -0.02 0.00 -0.34 -0.43 4.64 -2.00 -2.27 113.55 113.13 1a9c h SER 135 Ca 0.39 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1a9c h SER 135 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1a9c h SER 135 CO -0.94 0.00 0.21 0.11 -0.87 0.00 0.00 176.83 175.34 1a9c h LYS 136 N 0.00 0.47 -0.38 4.77 1.79 -1.30 0.77 116.57 122.70 1a9c h LYS 136 Ca 0.02 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 1a9c h LYS 136 Cb 0.09 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1a9c h LYS 136 CO -0.00 0.33 0.14 0.82 -1.08 0.00 0.00 179.45 179.66 1a9c h ILE 137 N 0.48 1.20 0.14 1.86 2.04 -1.48 0.68 117.51 122.44 1a9c h ILE 137 Ca 0.13 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1a9c h ILE 137 Cb -0.02 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1a9c h ILE 137 CO -0.02 0.23 -0.07 0.78 0.00 0.00 0.00 178.15 179.06 1a9c h ASN 138 N 0.46 -0.16 -0.65 1.72 2.35 -1.31 -1.81 115.58 116.19 1a9c h ASN 138 Ca 0.12 -0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.92 1a9c h ASN 138 Cb 0.22 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.57 1a9c h ASN 138 CO -0.01 -0.09 0.34 0.03 -1.65 0.00 0.00 177.43 176.05 1a9c h ARG 139 N -0.22 0.61 -0.60 0.81 3.08 -0.56 -0.78 114.38 116.72 1a9c h ARG 139 Ca -0.02 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1a9c h ARG 139 Cb 0.17 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1a9c h ARG 139 CO 0.03 0.40 0.25 0.82 -1.07 0.00 0.00 179.97 180.40 1a9c h ILE 140 N 0.63 1.23 0.09 2.04 2.04 -0.71 0.49 117.51 123.31 1a9c h ILE 140 Ca 0.30 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1a9c h ILE 140 Cb 0.22 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1a9c h ILE 140 CO -0.20 0.28 -0.05 0.58 0.00 0.00 0.00 178.15 178.76 1a9c h VAL 141 N 0.83 0.89 -0.70 1.67 2.07 -0.65 -2.17 116.25 118.20 1a9c h VAL 141 Ca 0.20 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.73 1a9c h VAL 141 Cb 0.19 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1a9c h VAL 141 CO -0.02 0.00 0.46 -0.61 0.02 0.00 0.00 177.57 177.42 1a9c h GLN 142 N -0.13 0.91 0.54 1.57 4.15 -0.93 -1.14 115.11 120.07 1a9c h GLN 142 Ca -0.01 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1a9c h GLN 142 Cb 0.11 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1a9c h GLN 142 CO 0.01 0.60 -0.48 0.35 -1.93 0.00 0.00 178.83 177.38 1a9c h PHE 143 N 0.93 -1.32 0.00 3.99 3.57 -0.31 -0.99 116.94 122.81 1a9c h PHE 143 Ca 0.26 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1a9c h PHE 143 Cb -0.09 0.51 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1a9c h PHE 143 CO -0.00 -0.65 -0.11 0.74 -2.23 0.00 0.00 178.31 176.06 1a9c h PHE 144 N -1.00 0.00 -0.06 0.41 0.04 -1.22 -2.11 116.94 113.01 1a9c h PHE 144 Ca -0.07 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.58 1a9c h PHE 144 Cb 0.85 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 1a9c h PHE 144 CO -0.22 0.11 -0.52 0.00 -0.60 0.00 0.00 178.31 177.09 1a9c h ALA 145 N 1.89 1.03 0.00 2.45 0.00 -0.58 -3.32 119.26 120.74 1a9c h ALA 145 Ca -0.00 -0.48 -0.46 0.00 0.00 0.00 0.00 54.91 53.97 1a9c h ALA 145 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1a9c h ALA 145 CO 0.01 0.66 2.35 1.04 0.00 0.00 0.00 179.25 183.31 1a9c n GLN 146 N -3.93 2.79 -3.59 0.00 1.13 -0.43 -4.07 117.38 109.27 1a9c n GLN 146 Ca -0.02 -1.65 -0.11 0.00 -1.94 0.00 0.00 57.00 53.29 1a9c n GLN 146 Cb 0.55 -2.47 -0.04 0.00 0.11 0.00 0.00 30.24 28.39 1a9c n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1a9c s ARG 147 N 2.13 1.20 -0.32 -1.09 0.52 -1.13 -0.43 118.95 119.83 1a9c s ARG 147 Ca 0.61 -0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 54.86 1a9c s ARG 147 Cb 0.20 0.52 -0.00 0.00 0.52 0.00 0.00 34.95 36.18 1a9c s ARG 147 CO -0.04 -0.50 1.44 -2.14 0.02 0.00 0.00 175.30 174.09 1a9c s PRO 148 N -3.80 3.74 0.53 3.54 0.02 -1.26 -3.70 135.00 134.07 1a9c s PRO 148 Ca 0.04 1.26 0.04 0.00 0.02 0.00 0.00 61.00 62.36 1a9c s PRO 148 Cb 0.00 -3.98 0.02 0.00 0.02 0.00 0.00 34.50 30.56 1a9c s PRO 148 CO -0.10 -1.35 0.28 -0.65 -0.33 0.00 0.00 177.00 174.85 1a9c s GLN 149 N 4.62 2.24 -0.09 5.54 -1.52 0.92 -4.58 119.66 126.79 1a9c s GLN 149 Ca 0.63 -2.12 -0.03 0.00 -1.95 0.00 0.00 55.36 51.89 1a9c s GLN 149 Cb -0.18 -1.94 0.04 0.00 -0.22 0.00 0.00 33.01 30.72 1a9c s GLN 149 CO 0.28 -0.52 0.08 0.08 -0.25 0.00 0.00 175.29 174.96 1a9c s VAL 150 N -2.79 -0.12 0.28 1.09 1.01 -1.26 -1.00 120.40 117.61 1a9c s VAL 150 Ca 0.26 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 1a9c s VAL 150 Cb -0.01 -0.31 0.36 0.00 0.00 0.00 0.00 36.38 36.42 1a9c s VAL 150 CO 0.16 0.02 1.60 -0.61 0.00 0.00 0.00 175.10 176.27 1a9c h GLN 151 N 8.43 0.06 -0.88 2.72 4.15 -1.99 0.30 115.11 127.90 1a9c h GLN 151 Ca -0.13 -0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.42 1a9c h GLN 151 Cb 1.13 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.74 1a9c h GLN 151 CO 0.20 0.04 0.57 0.93 -1.93 0.00 0.00 178.83 178.64 1a9c h GLU 152 N 0.06 0.69 0.14 1.69 3.07 -1.99 -1.50 114.58 116.74 1a9c h GLU 152 Ca 0.52 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 59.15 1a9c h GLU 152 Cb 1.00 -0.15 0.02 0.00 -0.84 0.00 0.00 28.75 28.78 1a9c h GLU 152 CO -0.81 0.45 -0.81 -0.09 -1.40 0.00 0.00 179.01 176.35 1a9c h ARG 153 N 0.71 0.31 -0.61 2.33 2.43 -0.91 -3.25 114.38 115.39 1a9c h ARG 153 Ca 0.43 -0.51 0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1a9c h ARG 153 Cb 0.66 0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 30.31 1a9c h ARG 153 CO -0.19 1.24 0.11 1.25 -1.51 0.00 0.00 179.97 180.87 1a9c h LEU 154 N -0.36 -0.05 -0.19 3.80 5.85 -0.50 0.33 115.31 124.20 1a9c h LEU 154 Ca -0.14 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1a9c h LEU 154 Cb 1.64 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.82 1a9c h LEU 154 CO 0.15 -0.02 -0.00 0.74 -0.34 0.00 0.00 178.44 178.98 1a9c h THR 155 N 0.23 0.87 -0.21 1.05 2.02 -1.41 -1.72 112.91 113.74 1a9c h THR 155 Ca 0.32 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.50 1a9c h THR 155 Cb 0.50 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1a9c h THR 155 CO -0.43 0.01 0.07 1.56 0.37 0.00 0.00 175.52 177.10 1a9c h GLN 156 N 0.06 0.17 -0.16 6.66 1.08 -1.33 -1.47 115.11 120.12 1a9c h GLN 156 Ca 0.09 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 1a9c h GLN 156 Cb 0.11 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 1a9c h GLN 156 CO -0.15 0.11 -0.04 1.96 -0.95 0.00 0.00 178.83 179.76 1a9c h GLN 157 N 0.17 0.00 -0.42 1.46 4.20 -0.73 -1.08 115.11 118.71 1a9c h GLN 157 Ca 0.09 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.83 1a9c h GLN 157 Cb 0.06 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1a9c h GLN 157 CO -0.09 0.00 0.20 0.82 -0.67 0.00 0.00 178.83 179.09 1a9c h ILE 158 N 0.00 0.96 -0.07 2.54 2.04 -1.09 0.42 117.51 122.32 1a9c h ILE 158 Ca 0.08 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1a9c h ILE 158 Cb 0.12 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 1a9c h ILE 158 CO -0.16 0.08 -0.24 0.25 0.00 0.00 0.00 178.15 178.07 1a9c h LEU 159 N 0.41 -0.73 -0.59 1.44 5.85 -0.74 -1.80 115.31 119.15 1a9c h LEU 159 Ca 0.18 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1a9c h LEU 159 Cb 0.10 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1a9c h LEU 159 CO -0.13 -0.30 0.23 0.40 -0.34 0.00 0.00 178.44 178.29 1a9c h ILE 160 N -0.34 1.23 -0.47 4.05 2.04 -0.78 -0.82 117.51 122.43 1a9c h ILE 160 Ca 0.08 -0.73 0.07 0.00 1.00 0.00 0.00 64.86 65.28 1a9c h ILE 160 Cb 0.46 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1a9c h ILE 160 CO -0.26 0.28 0.15 0.00 0.00 0.00 0.00 178.15 178.32 1a9c h ALA 161 N 1.08 0.56 -0.13 1.87 0.00 -0.60 -0.58 119.26 121.45 1a9c h ALA 161 Ca 0.20 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1a9c h ALA 161 Cb 0.22 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a9c h ALA 161 CO -0.01 -0.25 -0.03 -0.07 0.00 0.00 0.00 179.25 178.89 1a9c h LEU 162 N 0.31 0.25 -0.88 0.00 3.38 -1.11 -1.62 115.31 115.64 1a9c h LEU 162 Ca 0.23 -0.36 0.12 0.00 0.09 0.00 0.00 57.88 57.96 1a9c h LEU 162 Cb 0.25 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1a9c h LEU 162 CO -0.25 0.56 0.50 1.56 0.09 0.00 0.00 178.44 180.90 1a9c h GLN 163 N -0.05 0.76 0.39 1.13 4.20 -0.82 0.14 115.11 120.86 1a9c h GLN 163 Ca 0.03 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1a9c h GLN 163 Cb 0.44 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1a9c h GLN 163 CO 0.01 0.50 -0.19 1.15 -0.67 0.00 0.00 178.83 179.64 1a9c h THR 164 N 0.78 0.60 -0.63 -0.54 2.02 -0.98 -1.43 112.91 112.73 1a9c h THR 164 Ca 0.45 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 1a9c h THR 164 Cb 0.50 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1a9c h THR 164 CO -0.29 0.07 0.12 -0.07 0.37 0.00 0.00 175.52 175.72 1a9c h LEU 165 N -0.74 0.96 0.00 2.58 3.38 -0.89 -3.12 115.31 117.49 1a9c h LEU 165 Ca -0.05 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1a9c h LEU 165 Cb 0.51 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1a9c h LEU 165 CO 0.09 0.95 -0.04 -0.07 0.09 0.00 0.00 178.44 179.46 1a9c h LEU 166 N 0.96 0.00 -0.31 1.67 3.38 -0.78 -3.48 115.31 116.75 1a9c h LEU 166 Ca 0.20 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.93 1a9c h LEU 166 Cb 0.39 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.20 1a9c h LEU 166 CO 0.01 0.00 -0.37 0.61 0.09 0.00 0.00 178.44 178.78 1a9c n GLY 167 N 1.18 0.04 3.27 0.83 0.00 -0.56 -4.66 105.19 105.31 1a9c n GLY 167 Ca 0.04 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 1a9c n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a9c s THR 168 N -3.05 0.05 -0.89 2.61 2.01 -1.11 -4.88 115.64 110.38 1a9c s THR 168 Ca 0.26 -0.43 0.23 0.00 0.31 0.00 0.00 61.69 62.06 1a9c s THR 168 Cb -0.11 -0.69 -0.09 0.00 0.01 0.00 0.00 72.50 71.62 1a9c s THR 168 CO 0.32 -0.24 1.17 0.59 -0.69 0.00 0.00 174.62 175.77 1a9c n ASN 169 N 1.17 0.67 -4.44 3.53 3.02 -1.26 -4.36 115.26 113.59 1a9c n ASN 169 Ca -0.21 -0.44 -0.38 0.00 -0.03 0.00 0.00 54.58 53.52 1a9c n ASN 169 Cb 0.56 0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 40.31 1a9c n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1a9c n ASN 170 N -1.63 4.07 -3.96 6.41 3.02 -1.26 -1.49 115.26 120.41 1a9c n ASN 170 Ca 0.04 -2.82 -0.09 0.00 -0.03 0.00 0.00 54.58 51.67 1a9c n ASN 170 Cb 0.36 -1.70 -0.11 0.00 -0.61 0.00 0.00 39.78 37.73 1a9c n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1a9c s VAL 171 N 6.43 0.11 -0.10 2.41 1.01 -1.23 -2.37 120.40 126.67 1a9c s VAL 171 Ca 0.58 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 1a9c s VAL 171 Cb 0.04 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 36.12 1a9c s VAL 171 CO 0.09 -0.50 0.24 0.00 0.00 0.00 0.00 175.10 174.93 1a9c s ALA 172 N -1.54 -0.56 -0.03 5.51 0.00 -0.13 -0.15 121.76 124.85 1a9c s ALA 172 Ca -0.15 0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.67 1a9c s ALA 172 Cb -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1a9c s ALA 172 CO -0.01 -0.15 -0.11 0.08 0.00 0.00 0.00 175.76 175.56 1a9c s VAL 173 N 0.71 0.96 -0.03 0.00 1.01 -0.26 -1.56 120.40 121.24 1a9c s VAL 173 Ca -0.05 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1a9c s VAL 173 Cb -0.06 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1a9c s VAL 173 CO -0.04 0.29 -0.04 -0.55 0.00 0.00 0.00 175.10 174.77 1a9c s SER 174 N 0.15 0.68 -0.06 3.32 0.15 -0.53 -0.27 113.70 117.14 1a9c s SER 174 Ca -0.03 -0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.55 1a9c s SER 174 Cb -0.09 -0.26 0.01 0.00 -1.71 0.00 0.00 66.02 63.96 1a9c s SER 174 CO 0.01 -0.03 -0.14 -0.63 1.20 0.00 0.00 173.24 173.65 1a9c s ILE 175 N 0.60 1.23 -0.17 6.45 1.01 0.58 -0.68 121.20 130.23 1a9c s ILE 175 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1a9c s ILE 175 Cb -0.10 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.27 1a9c s ILE 175 CO -0.00 0.37 -0.17 -0.62 0.00 0.00 0.00 174.94 174.52 1a9c s ASP 176 N 0.50 3.46 0.08 3.58 -1.08 -0.71 -1.07 116.67 121.43 1a9c s ASP 176 Ca -0.12 -0.54 -0.12 0.00 -0.52 0.00 0.00 52.55 51.24 1a9c s ASP 176 Cb -0.15 -1.53 0.01 0.00 -1.46 0.00 0.00 42.92 39.79 1a9c s ASP 176 CO 0.04 0.05 0.27 0.00 0.52 0.00 0.00 175.17 176.04 1a9c s ALA 177 N 1.04 -0.52 -0.18 3.66 0.00 0.35 -0.91 121.76 125.20 1a9c s ALA 177 Ca -0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 1a9c s ALA 177 Cb -0.15 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 1a9c s ALA 177 CO -0.05 -0.51 -0.04 0.08 0.00 0.00 0.00 175.76 175.25 1a9c s VAL 178 N -3.44 3.74 -0.29 0.00 1.01 0.27 -0.65 120.40 121.04 1a9c s VAL 178 Ca 0.01 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 1a9c s VAL 178 Cb 0.02 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1a9c s VAL 178 CO -0.09 0.46 0.18 -1.00 0.00 0.00 0.00 175.10 174.65 1a9c s HIS 179 N 0.73 3.20 -0.80 5.22 3.76 -1.26 -1.34 115.29 124.79 1a9c s HIS 179 Ca -0.02 -0.08 0.20 0.00 -0.15 0.00 0.00 55.06 55.02 1a9c s HIS 179 Cb -0.14 -2.37 0.83 0.00 1.11 0.00 0.00 32.58 32.00 1a9c s HIS 179 CO 0.02 -0.25 1.63 0.66 -0.85 0.00 0.00 174.74 175.95 1a9c n TYR 180 N 5.04 0.35 1.39 1.40 4.02 -0.36 -1.63 117.16 127.37 1a9c n TYR 180 Ca -0.14 0.13 0.02 0.00 -0.01 0.00 0.00 57.90 57.90 1a9c n TYR 180 Cb 0.51 -0.71 0.07 0.00 -0.02 0.00 0.00 39.34 39.19 1a9c n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a9c n VAL 182 N -0.02 0.00 -0.07 0.00 0.31 -0.73 -4.72 118.33 113.11 1a9c n VAL 182 Ca 0.05 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.30 1a9c n VAL 182 Cb 0.17 -0.38 -0.06 0.00 -0.91 0.00 0.00 33.84 32.66 1a9c n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1a9c h LYS 183 N 0.00 0.00 0.00 5.55 3.64 -1.23 -0.33 116.57 124.20 1a9c h LYS 183 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a9c h LYS 183 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1a9c h LYS 183 CO 0.00 0.45 0.00 0.00 -2.27 0.00 0.00 179.45 177.63 1a9c n ALA 184 N -2.96 1.87 -3.84 5.00 0.00 0.49 -4.13 120.51 116.95 1a9c n ALA 184 Ca -0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 1a9c n ALA 184 Cb 0.29 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.44 1a9c n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1a9c s ARG 185 N -2.98 1.24 7.72 0.00 3.00 -1.23 -4.97 118.95 121.72 1a9c s ARG 185 Ca 0.09 -0.77 0.00 0.00 -1.00 0.00 0.00 55.73 54.06 1a9c s ARG 185 Cb 0.12 0.37 0.00 0.00 0.00 0.00 0.00 34.95 35.44 1a9c s ARG 185 CO 0.34 -0.58 0.00 0.41 0.00 0.00 0.00 175.30 175.47 1a9c n GLY 186 N -0.63 2.61 0.16 8.12 0.00 -1.26 -2.27 105.19 111.91 1a9c n GLY 186 Ca -0.04 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.83 1a9c n GLY 186 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a9c h ILE 187 N 0.00 0.00 -6.27 -0.61 2.10 -1.88 -3.47 117.51 107.37 1a9c h ILE 187 Ca 0.00 -0.46 -0.45 0.00 1.08 0.00 0.00 64.86 65.03 1a9c h ILE 187 Cb 0.00 1.37 0.04 0.00 -1.09 0.00 0.00 36.82 37.14 1a9c h ILE 187 CO 0.00 0.00 -0.91 0.54 -1.08 0.00 0.00 178.15 176.70 1a9c n ARG 188 N -2.49 -2.44 -3.01 2.19 1.74 -0.50 -4.91 116.66 107.24 1a9c n ARG 188 Ca 0.03 0.47 -0.43 0.00 -0.77 0.00 0.00 57.85 57.15 1a9c n ARG 188 Cb 0.35 -4.44 -0.05 0.00 -1.02 0.00 0.00 32.46 27.30 1a9c n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1a9c s ASP 189 N -3.88 6.29 0.28 0.55 -1.08 -0.25 -4.90 116.67 113.68 1a9c s ASP 189 Ca 0.26 -0.58 0.26 0.00 -0.52 0.00 0.00 52.55 51.96 1a9c s ASP 189 Cb -0.09 -2.36 0.91 0.00 -1.46 0.00 0.00 42.92 39.92 1a9c s ASP 189 CO 0.86 -1.03 1.76 0.00 0.52 0.00 0.00 175.17 177.28 1a9c h ALA 190 N 9.12 1.00 0.00 3.66 0.00 -1.86 -3.36 119.26 127.83 1a9c h ALA 190 Ca -0.27 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 1a9c h ALA 190 Cb 1.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1a9c h ALA 190 CO 1.01 0.00 -1.85 0.25 0.00 0.00 0.00 179.25 178.66 1a9c n THR 191 N -2.40 0.63 -1.93 0.00 -2.24 -1.26 -5.04 114.28 102.04 1a9c n THR 191 Ca 0.03 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.97 1a9c n THR 191 Cb 0.34 -0.38 0.04 0.00 -2.10 0.00 0.00 70.33 68.23 1a9c n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a9c s SER 192 N -4.36 5.15 0.01 3.42 1.04 -1.26 -5.06 113.70 112.64 1a9c s SER 192 Ca -0.06 2.25 -0.06 0.00 0.48 0.00 0.00 55.95 58.56 1a9c s SER 192 Cb 0.06 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.59 1a9c s SER 192 CO 0.57 -1.61 0.10 0.00 0.98 0.00 0.00 173.24 173.28 1a9c s ALA 193 N -1.85 -0.23 -0.08 5.32 0.00 -1.26 -4.77 121.76 118.89 1a9c s ALA 193 Ca 0.74 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1a9c s ALA 193 Cb -0.26 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1a9c s ALA 193 CO 0.35 -0.20 -0.11 0.99 0.00 0.00 0.00 175.76 176.79 1a9c s THR 194 N -1.46 3.35 -0.13 0.00 2.01 0.17 -4.93 115.64 114.65 1a9c s THR 194 Ca -0.15 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1a9c s THR 194 Cb -0.08 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.08 1a9c s THR 194 CO 0.01 0.57 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.44 1a9c s THR 195 N -0.49 1.77 -0.00 -0.82 2.01 -1.26 -0.49 115.64 116.36 1a9c s THR 195 Ca 0.07 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.32 1a9c s THR 195 Cb -0.12 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 1a9c s THR 195 CO 0.02 0.49 -0.17 0.42 -0.69 0.00 0.00 174.62 174.70 1a9c s THR 196 N 0.95 1.32 0.02 -0.82 -4.23 -0.23 -4.98 115.64 107.66 1a9c s THR 196 Ca -0.06 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 59.70 1a9c s THR 196 Cb -0.15 -1.11 -0.01 0.00 1.34 0.00 0.00 72.50 72.57 1a9c s THR 196 CO -0.03 0.32 -0.06 0.42 -0.54 0.00 0.00 174.62 174.73 1a9c s THR 197 N -0.46 0.45 -0.10 3.99 -4.23 -1.26 -0.31 115.64 113.72 1a9c s THR 197 Ca 0.06 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1a9c s THR 197 Cb -0.07 -0.46 0.03 0.00 1.34 0.00 0.00 72.50 73.34 1a9c s THR 197 CO -0.00 -0.17 -0.03 -0.94 -0.54 0.00 0.00 174.62 172.93 1a9c s SER 198 N -0.92 1.95 -0.10 3.99 1.04 0.63 -4.99 113.70 115.31 1a9c s SER 198 Ca -0.05 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.14 1a9c s SER 198 Cb -0.06 -0.65 -0.03 0.00 0.10 0.00 0.00 66.02 65.38 1a9c s SER 198 CO 0.00 -0.16 -0.06 -0.76 0.98 0.00 0.00 173.24 173.24 1a9c s LEU 199 N 1.84 3.20 0.16 2.42 1.43 -1.26 -1.10 118.68 125.36 1a9c s LEU 199 Ca 0.05 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.17 1a9c s LEU 199 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1a9c s LEU 199 CO -0.07 0.30 -0.18 -0.83 0.23 0.00 0.00 176.35 175.81 1a9c s GLY 200 N -0.45 1.34 0.00 -3.19 0.00 0.78 -4.68 107.32 101.12 1a9c s GLY 200 Ca 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1a9c s GLY 200 CO 0.02 -1.50 0.00 0.61 0.00 0.00 0.00 173.10 172.23 1a9c n GLY 201 N 0.37 3.01 0.36 0.20 0.00 -0.55 -2.05 105.19 106.52 1a9c n GLY 201 Ca -0.14 -0.17 0.18 0.00 0.00 0.00 0.00 46.02 45.90 1a9c n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a9c h LEU 202 N 0.00 0.00 -1.27 0.99 3.38 -1.94 0.45 115.31 116.93 1a9c h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a9c h LEU 202 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1a9c h LEU 202 CO 0.00 0.00 0.00 -0.26 0.09 0.00 0.00 178.44 178.27 1a9c h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.68 0.63 116.94 117.06 1a9c h PHE 203 Ca 0.19 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.78 1a9c h PHE 203 Cb 0.83 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.95 1a9c h PHE 203 CO 0.00 0.00 -1.67 1.17 -0.60 0.00 0.00 178.31 177.21 1a9c n LYS 204 N -2.38 0.28 0.30 1.51 4.81 0.02 -4.05 118.16 118.65 1a9c n LYS 204 Ca 0.00 0.09 -0.14 0.00 -0.87 0.00 0.00 58.31 57.39 1a9c n LYS 204 Cb 0.14 -1.11 -0.07 0.00 0.02 0.00 0.00 35.03 34.00 1a9c n LYS 204 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1a9c h SER 205 N -0.18 -0.67 -3.48 3.14 0.02 -1.11 -3.43 113.55 107.84 1a9c h SER 205 Ca -0.28 -0.02 -0.58 0.00 -0.84 0.00 0.00 61.79 60.07 1a9c h SER 205 Cb 1.35 0.17 -0.08 0.00 0.14 0.00 0.00 62.40 63.98 1a9c h SER 205 CO -0.10 -0.29 0.72 -0.55 -1.14 0.00 0.00 176.83 175.47 1a9c s SER 206 N -4.64 6.74 0.47 3.07 0.15 0.20 -4.90 113.70 114.79 1a9c s SER 206 Ca -0.14 0.68 0.20 0.00 0.70 0.00 0.00 55.95 57.39 1a9c s SER 206 Cb 0.02 -2.50 1.18 0.00 -1.71 0.00 0.00 66.02 63.01 1a9c s SER 206 CO 0.44 -0.93 2.02 -0.61 1.20 0.00 0.00 173.24 175.35 1a9c h GLN 207 N 8.51 0.00 0.52 5.44 4.15 -1.83 0.69 115.11 132.59 1a9c h GLN 207 Ca -0.22 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.17 1a9c h GLN 207 Cb 1.07 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.77 1a9c h GLN 207 CO 1.02 0.17 -0.25 -0.97 -1.93 0.00 0.00 178.83 176.87 1a9c h ASN 208 N 0.00 -0.59 -0.05 -0.69 -1.24 -1.91 -1.47 115.58 109.63 1a9c h ASN 208 Ca -0.00 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 56.96 1a9c h ASN 208 Cb 0.35 0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.55 1a9c h ASN 208 CO 0.02 -0.30 0.03 0.74 -1.29 0.00 0.00 177.43 176.63 1a9c h THR 209 N -0.86 1.05 -0.35 -3.57 2.02 -1.71 -2.49 112.91 107.00 1a9c h THR 209 Ca -0.07 -0.13 0.07 0.00 0.77 0.00 0.00 66.41 67.05 1a9c h THR 209 Cb 0.60 1.04 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 1a9c h THR 209 CO 0.12 0.04 -0.29 -0.09 0.37 0.00 0.00 175.52 175.66 1a9c h ARG 210 N 0.03 -0.24 -0.08 6.66 2.43 -0.87 -1.68 114.38 120.63 1a9c h ARG 210 Ca 0.02 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1a9c h ARG 210 Cb 0.04 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1a9c h ARG 210 CO -0.00 -0.16 -0.36 0.45 -1.51 0.00 0.00 179.97 178.38 1a9c h HIS 211 N -0.25 0.18 -0.91 2.20 3.86 -1.20 -1.58 115.15 117.45 1a9c h HIS 211 Ca 0.16 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1a9c h HIS 211 Cb 0.52 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 1a9c h HIS 211 CO -0.49 0.51 0.51 0.93 0.86 0.00 0.00 177.93 180.25 1a9c h GLU 212 N 0.14 1.26 0.09 2.45 5.08 -0.86 0.33 114.58 123.06 1a9c h GLU 212 Ca 0.02 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1a9c h GLU 212 Cb 0.71 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1a9c h GLU 212 CO 0.05 0.91 -0.04 0.35 -1.00 0.00 0.00 179.01 179.28 1a9c h PHE 213 N 1.27 -0.11 -1.00 4.33 3.57 -1.06 -2.86 116.94 121.08 1a9c h PHE 213 Ca 0.32 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.91 1a9c h PHE 213 Cb 0.00 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.71 1a9c h PHE 213 CO 0.01 0.36 0.64 -0.07 -2.23 0.00 0.00 178.31 177.02 1a9c h LEU 214 N -0.64 0.98 -1.02 0.59 3.38 -1.13 -0.57 115.31 116.91 1a9c h LEU 214 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1a9c h LEU 214 Cb 0.52 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1a9c h LEU 214 CO 0.02 0.59 0.46 -0.09 0.09 0.00 0.00 178.44 179.50 1a9c h ARG 215 N 1.09 1.14 0.00 1.13 2.43 -0.98 -2.28 114.38 116.91 1a9c h ARG 215 Ca 0.45 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1a9c h ARG 215 Cb 0.30 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1a9c h ARG 215 CO -0.21 0.83 0.00 0.00 -1.51 0.00 0.00 179.97 179.08 1a9c h ALA 216 N 1.36 1.00 -2.80 2.80 0.00 -0.88 -3.45 119.26 117.27 1a9c h ALA 216 Ca 0.29 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.69 1a9c h ALA 216 Cb 0.01 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.86 1a9c h ALA 216 CO -0.05 0.00 0.55 0.08 0.00 0.00 0.00 179.25 179.83 1a9c s VAL 217 N -3.37 3.00 0.08 0.00 1.01 -0.79 -4.78 120.40 115.55 1a9c s VAL 217 Ca 0.05 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1a9c s VAL 217 Cb 0.09 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1a9c s VAL 217 CO 0.52 0.15 0.00 -1.14 0.00 0.00 0.00 175.10 174.62 1a9c n ARG 218 N 0.43 -1.65 -3.68 2.72 3.00 -1.26 -5.04 116.66 111.18 1a9c n ARG 218 Ca 0.02 1.41 -0.12 0.00 -0.00 0.00 0.00 57.85 59.16 1a9c n ARG 218 Cb 0.45 -1.27 -0.12 0.00 0.00 0.00 0.00 32.46 31.51 1a9c n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1a9c s HIS 219 N -0.54 -0.47 0.11 -0.14 3.76 -1.26 -5.13 115.29 111.61 1a9c s HIS 219 Ca 0.00 1.04 -0.31 0.00 -0.15 0.00 0.00 55.06 55.64 1a9c s HIS 219 Cb 0.00 0.05 -0.09 0.00 1.11 0.00 0.00 32.58 33.66 1a9c s HIS 219 CO 0.00 -0.35 1.59 -1.01 -0.85 0.00 0.00 174.74 174.12 1a9c s HIS 220 N 2.12 2.76 0.00 1.40 3.76 -1.26 -4.94 115.29 119.12 1a9c s HIS 220 Ca -0.02 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 1a9c s HIS 220 Cb -0.11 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.66 1a9c s HIS 220 CO -0.09 -3.52 0.00 0.09 -0.85 0.00 0.00 174.74 170.37