#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 -4.79 3.54 2.88 -1.26 -5.13 113.62 108.87 1a9c n SER 2 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 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 -1.39 4.57 0.77 2.46 1.43 -1.26 -4.91 118.68 120.35 1a9c s LEU 3 Ca 0.00 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 1a9c s LEU 3 Cb 0.00 -3.16 0.06 0.00 0.03 0.00 0.00 46.19 43.12 1a9c s LEU 3 CO 0.00 0.23 1.08 -0.94 0.23 0.00 0.00 176.35 176.95 1a9c s SER 4 N -1.12 4.59 0.23 2.29 1.04 -1.26 -4.79 113.70 114.68 1a9c s SER 4 Ca 0.33 1.61 -0.06 0.00 0.48 0.00 0.00 55.95 58.31 1a9c s SER 4 Cb -0.22 -2.36 0.36 0.00 0.10 0.00 0.00 66.02 63.90 1a9c s SER 4 CO 0.24 -1.95 1.76 0.11 0.98 0.00 0.00 173.24 174.38 1a9c h LYS 5 N -1.07 0.52 0.33 4.02 1.57 -1.99 -0.52 116.57 119.43 1a9c h LYS 5 Ca -0.45 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1a9c h LYS 5 Cb 1.24 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1a9c h LYS 5 CO 0.55 0.35 -0.21 0.93 -0.57 0.00 0.00 179.45 180.49 1a9c h GLU 6 N 0.54 -0.51 -0.62 3.15 3.07 -1.97 0.79 114.58 119.02 1a9c h GLU 6 Ca 0.36 0.03 0.10 0.00 -0.50 0.00 0.00 59.36 59.36 1a9c h GLU 6 Cb 0.44 0.12 -0.08 0.00 -0.84 0.00 0.00 28.75 28.39 1a9c h GLU 6 CO -0.31 -0.34 0.21 0.00 -1.40 0.00 0.00 179.01 177.17 1a9c h ALA 7 N 0.11 0.80 -0.00 3.43 0.00 -1.73 0.60 119.26 122.46 1a9c h ALA 7 Ca -0.03 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1a9c h ALA 7 Cb 0.44 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1a9c h ALA 7 CO 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 179.25 179.01 1a9c h ALA 8 N 1.45 -0.04 0.26 0.00 0.00 -0.72 -1.03 119.26 119.18 1a9c h ALA 8 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1a9c h ALA 8 Cb 0.43 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1a9c h ALA 8 CO -0.34 -0.53 -0.29 -0.07 0.00 0.00 0.00 179.25 178.01 1a9c h LEU 9 N -0.07 -0.78 -0.39 0.00 3.38 0.24 -0.98 115.31 116.72 1a9c h LEU 9 Ca 0.02 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1a9c h LEU 9 Cb 0.09 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1a9c h LEU 9 CO -0.04 -0.41 0.13 0.58 0.09 0.00 0.00 178.44 178.79 1a9c h VAL 10 N -0.59 0.88 -0.06 1.22 2.07 -0.88 -0.13 116.25 118.76 1a9c h VAL 10 Ca -0.00 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1a9c h VAL 10 Cb 0.55 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1a9c h VAL 10 CO -0.08 0.05 -0.15 -0.74 0.02 0.00 0.00 177.57 176.68 1a9c h HIS 11 N 0.29 -0.38 -0.36 1.57 -0.00 -0.94 -0.55 115.15 114.78 1a9c h HIS 11 Ca 0.18 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.59 1a9c h HIS 11 Cb 0.16 0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.72 1a9c h HIS 11 CO -0.15 -0.22 0.19 0.93 -0.00 0.00 0.00 177.93 178.68 1a9c h GLU 12 N -0.22 0.38 -0.46 5.26 5.08 -0.86 -0.97 114.58 122.79 1a9c h GLU 12 Ca 0.07 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1a9c h GLU 12 Cb 0.31 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 1a9c h GLU 12 CO -0.19 0.25 0.07 0.00 -1.00 0.00 0.00 179.01 178.14 1a9c h ALA 13 N 1.17 0.49 -0.24 3.43 0.00 -0.54 0.14 119.26 123.72 1a9c h ALA 13 Ca 0.15 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1a9c h ALA 13 Cb 0.03 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1a9c h ALA 13 CO -0.09 -0.33 0.14 -0.07 0.00 0.00 0.00 179.25 178.90 1a9c h LEU 14 N 0.20 0.29 -0.92 0.00 3.38 -0.70 -1.85 115.31 115.71 1a9c h LEU 14 Ca 0.23 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1a9c h LEU 14 Cb 0.31 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1a9c h LEU 14 CO -0.32 0.26 0.61 0.58 0.09 0.00 0.00 178.44 179.66 1a9c h VAL 15 N 0.29 1.21 -0.46 1.22 2.07 -0.38 0.14 116.25 120.33 1a9c h VAL 15 Ca 0.08 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1a9c h VAL 15 Cb 0.03 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.66 1a9c h VAL 15 CO -0.02 0.22 0.30 0.00 0.02 0.00 0.00 177.57 178.09 1a9c h ALA 16 N 1.35 0.59 -0.00 1.67 0.00 -0.37 -1.95 119.26 120.55 1a9c h ALA 16 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1a9c h ALA 16 Cb -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1a9c h ALA 16 CO -0.09 0.05 -0.00 0.54 0.00 0.00 0.00 179.25 179.75 1a9c n ARG 17 N -4.75 0.10 -1.81 0.00 3.00 -0.73 -4.90 116.66 107.57 1a9c n ARG 17 Ca 0.02 -0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.81 1a9c n ARG 17 Cb 0.03 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 30.99 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 1.45 0.34 1.20 -0.13 0.00 -0.17 -4.94 105.19 102.95 1a9c n GLY 18 Ca 0.09 -0.74 0.09 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.63 3.98 -4.84 0.99 4.77 0.32 -4.99 117.00 116.59 1a9c n LEU 19 Ca -0.05 -2.28 -0.32 0.00 -0.03 0.00 0.00 56.01 53.33 1a9c n LEU 19 Cb 0.43 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1a9c n LEU 19 CO 0.07 0.82 0.69 -1.61 -1.33 0.00 0.00 177.39 176.02 1a9c s GLU 20 N -1.52 3.90 0.23 3.23 0.41 -1.22 -4.77 118.70 118.97 1a9c s GLU 20 Ca 0.42 0.94 -0.30 0.00 -0.41 0.00 0.00 54.97 55.62 1a9c s GLU 20 Cb 0.26 -2.13 -0.09 0.00 -1.78 0.00 0.00 34.13 30.39 1a9c s GLU 20 CO 0.23 -0.31 1.28 0.99 -0.49 0.00 0.00 175.26 176.96 1a9c s THR 21 N -2.68 3.15 -0.49 3.63 2.01 -1.26 -4.87 115.64 115.14 1a9c s THR 21 Ca 0.59 1.00 -0.29 0.00 0.31 0.00 0.00 61.69 63.30 1a9c s THR 21 Cb -0.10 -3.64 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 1a9c s THR 21 CO 0.34 0.18 2.38 -2.65 -0.69 0.00 0.00 174.62 174.17 1a9c n PRO 22 N 2.10 1.06 -4.51 4.92 -0.02 -1.26 -4.93 135.00 132.37 1a9c n PRO 22 Ca 0.04 0.15 -0.21 0.00 -2.02 0.00 0.00 63.50 61.46 1a9c n PRO 22 Cb 0.43 -2.94 -0.15 0.00 -0.02 0.00 0.00 33.50 30.82 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 10.12 2.05 -0.10 2.45 1.43 -1.26 -5.14 118.68 128.23 1a9c s LEU 23 Ca 1.06 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 53.84 1a9c s LEU 23 Cb -0.49 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 1a9c s LEU 23 CO 0.36 0.12 0.10 -0.13 0.23 0.00 0.00 176.35 177.02 1a9c s ARG 24 N -0.47 3.28 0.53 1.70 0.52 -1.26 -5.07 118.95 118.19 1a9c s ARG 24 Ca 0.04 -0.24 -0.21 0.00 -0.52 0.00 0.00 55.73 54.80 1a9c s ARG 24 Cb -0.05 -3.05 -0.06 0.00 0.52 0.00 0.00 34.95 32.31 1a9c s ARG 24 CO -0.00 0.75 1.15 -0.35 0.02 0.00 0.00 175.30 176.87 1a9c n PRO 25 N 1.97 1.36 -1.52 3.54 -0.04 -1.26 -4.70 135.00 134.35 1a9c n PRO 25 Ca -0.19 0.50 -0.27 0.00 -0.04 0.00 0.00 63.50 63.51 1a9c n PRO 25 Cb 0.54 -2.32 -0.14 0.00 -0.04 0.00 0.00 33.50 31.54 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 -0.73 0.30 -0.23 0.54 -0.04 -1.26 -4.75 135.00 128.83 1a9c n PRO 26 Ca 0.11 -0.21 0.15 0.00 -0.04 0.00 0.00 63.50 63.51 1a9c n PRO 26 Cb 0.44 -2.16 0.28 0.00 -0.04 0.00 0.00 33.50 32.02 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 7.18 -0.29 -3.68 0.52 0.31 -1.26 -4.50 118.33 116.61 1a9c n VAL 27 Ca 0.58 1.45 -0.13 0.00 -0.01 0.00 0.00 64.34 66.23 1a9c n VAL 27 Cb 0.25 -2.22 -0.07 0.00 -0.91 0.00 0.00 33.84 30.89 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 -5.36 -0.26 -1.12 3.52 3.76 -1.26 -5.07 115.29 109.50 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 -0.53 1.98 -1.21 -0.85 0.00 0.00 174.74 174.66 1a9c s GLU 29 N -2.13 2.26 -0.09 1.40 2.02 -1.26 -4.91 118.70 115.99 1a9c s GLU 29 Ca -0.08 -0.90 -0.05 0.00 0.02 0.00 0.00 54.97 53.96 1a9c s GLU 29 Cb -0.02 -5.17 -0.04 0.00 0.10 0.00 0.00 34.13 29.01 1a9c s GLU 29 CO -0.00 -4.18 0.13 -1.64 0.02 0.00 0.00 175.26 169.59 1a9c s MET 30 N 6.92 3.38 0.51 1.61 -1.94 -1.26 -5.08 119.30 123.44 1a9c s MET 30 Ca 0.71 -0.21 -0.19 0.00 -1.71 0.00 0.00 55.69 54.29 1a9c s MET 30 Cb -0.02 -3.12 -0.07 0.00 2.01 0.00 0.00 34.83 33.62 1a9c s MET 30 CO 0.12 0.75 1.04 -0.51 -0.01 0.00 0.00 175.02 176.40 1a9c s ASP 31 N -1.23 6.24 0.53 3.03 1.11 -1.26 -4.87 116.67 120.21 1a9c s ASP 31 Ca 0.18 1.87 0.21 0.00 0.18 0.00 0.00 52.55 54.99 1a9c s ASP 31 Cb -0.12 -2.55 1.43 0.00 1.07 0.00 0.00 42.92 42.76 1a9c s ASP 31 CO 0.07 -0.85 2.16 0.78 1.18 0.00 0.00 175.17 178.50 1a9c h ASN 32 N 1.23 0.00 -0.31 0.27 4.21 -1.98 -0.84 115.58 118.16 1a9c h ASN 32 Ca -0.49 0.00 -0.00 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 38.40 1a9c h ASN 32 CO 0.59 0.04 0.18 -0.33 -1.29 0.00 0.00 177.43 176.62 1a9c h GLU 33 N 0.00 0.43 -0.18 0.81 5.08 -1.99 0.16 114.58 118.89 1a9c h GLU 33 Ca -0.00 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 1a9c h GLU 33 Cb 0.08 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1a9c h GLU 33 CO 0.01 0.34 -0.63 1.79 -1.00 0.00 0.00 179.01 179.52 1a9c h THR 34 N 0.39 1.31 -0.20 1.13 1.35 -1.64 -1.75 112.91 113.51 1a9c h THR 34 Ca 0.11 -1.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1a9c h THR 34 Cb 0.03 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1a9c h THR 34 CO -0.02 0.59 0.12 0.03 -0.25 0.00 0.00 175.52 175.99 1a9c h ARG 35 N 0.47 0.26 -0.05 4.72 3.08 -0.89 -1.16 114.38 120.81 1a9c h ARG 35 Ca -0.01 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1a9c h ARG 35 Cb 1.21 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 1a9c h ARG 35 CO 0.12 0.20 -0.07 0.87 -1.07 0.00 0.00 179.97 180.02 1a9c h LYS 36 N 0.25 -0.09 -0.66 0.04 1.57 -0.61 0.22 116.57 117.29 1a9c h LYS 36 Ca 0.07 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1a9c h LYS 36 Cb 0.00 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1a9c h LYS 36 CO -0.01 -0.06 0.44 0.66 -0.57 0.00 0.00 179.45 179.90 1a9c h SER 37 N -0.09 0.63 -0.22 0.86 4.64 -1.09 0.28 113.55 118.55 1a9c h SER 37 Ca 0.05 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.24 1a9c h SER 37 Cb 0.16 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1a9c h SER 37 CO -0.11 0.42 -0.36 -0.07 -0.87 0.00 0.00 176.83 175.84 1a9c h LEU 38 N 0.73 0.71 -0.29 5.97 3.38 -0.59 -0.91 115.31 124.31 1a9c h LEU 38 Ca 0.28 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1a9c h LEU 38 Cb 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1a9c h LEU 38 CO -0.08 1.10 0.17 0.40 0.09 0.00 0.00 178.44 180.11 1a9c h ILE 39 N 0.34 1.11 -0.85 1.22 2.04 -0.07 -1.42 117.51 119.88 1a9c h ILE 39 Ca 0.02 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.63 1a9c h ILE 39 Cb 0.95 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1a9c h ILE 39 CO 0.08 0.11 0.56 0.00 0.00 0.00 0.00 178.15 178.90 1a9c h ALA 40 N 1.05 1.44 0.22 1.87 0.00 -0.45 -0.20 119.26 123.19 1a9c h ALA 40 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1a9c h ALA 40 Cb 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1a9c h ALA 40 CO -0.02 0.49 -0.23 0.78 0.00 0.00 0.00 179.25 180.27 1a9c h GLY 41 N 1.09 -0.49 1.09 0.00 0.00 -0.23 0.43 103.07 104.95 1a9c h GLY 41 Ca 0.33 0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.94 1a9c h GLY 41 CO -0.09 -0.21 0.57 0.45 0.00 0.00 0.00 176.54 177.26 1a9c h HIS 42 N -0.48 1.06 -0.71 5.60 -0.00 -0.73 -1.81 115.15 118.07 1a9c h HIS 42 Ca -0.00 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 1a9c h HIS 42 Cb 0.45 -0.36 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 1a9c h HIS 42 CO -0.16 0.64 0.29 0.52 -0.00 0.00 0.00 177.93 179.22 1a9c h MET 43 N 1.12 1.06 -0.30 2.45 2.86 -0.43 -0.93 114.93 120.75 1a9c h MET 43 Ca 0.33 -0.19 0.05 0.00 -2.06 0.00 0.00 59.70 57.84 1a9c h MET 43 Cb -0.05 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.39 1a9c h MET 43 CO -0.09 0.87 -0.01 1.15 1.06 0.00 0.00 176.91 179.89 1a9c h THR 44 N 1.01 0.77 0.40 2.22 2.02 -0.12 0.11 112.91 119.33 1a9c h THR 44 Ca 0.24 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 1a9c h THR 44 Cb 0.20 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1a9c h THR 44 CO -0.02 0.01 -0.36 -0.33 0.37 0.00 0.00 175.52 175.19 1a9c h GLU 45 N 0.08 -0.75 -0.58 6.66 4.39 -1.06 -0.32 114.58 123.00 1a9c h GLU 45 Ca 0.14 0.05 0.11 0.00 0.34 0.00 0.00 59.36 60.00 1a9c h GLU 45 Cb 0.20 0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 28.93 1a9c h GLU 45 CO -0.25 -0.50 0.11 0.82 -1.16 0.00 0.00 179.01 178.03 1a9c h ILE 46 N -0.78 0.64 -0.58 3.13 2.04 -0.66 0.18 117.51 121.48 1a9c h ILE 46 Ca -0.03 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1a9c h ILE 46 Cb 0.69 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1a9c h ILE 46 CO -0.04 0.04 0.24 0.24 0.00 0.00 0.00 178.15 178.63 1a9c h MET 47 N 0.24 0.84 -0.55 2.37 2.86 -0.53 -1.84 114.93 118.32 1a9c h MET 47 Ca 0.30 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.70 1a9c h MET 47 Cb 0.44 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1a9c h MET 47 CO -0.40 0.69 -0.09 1.96 1.06 0.00 0.00 176.91 180.13 1a9c h GLN 48 N 0.83 1.02 0.00 1.72 4.20 0.89 -1.85 115.11 121.91 1a9c h GLN 48 Ca 0.20 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1a9c h GLN 48 Cb 0.16 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1a9c h GLN 48 CO -0.02 1.05 -0.08 -0.07 -0.67 0.00 0.00 178.83 179.04 1a9c h LEU 49 N 0.91 0.00 -0.73 1.46 3.38 0.02 -0.19 115.31 120.17 1a9c h LEU 49 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1a9c h LEU 49 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1a9c h LEU 49 CO 0.04 0.08 -0.00 0.18 0.09 0.00 0.00 178.44 178.83 1a9c n LEU 50 N -3.66 1.13 -1.02 1.67 4.77 -0.78 -4.92 117.00 114.19 1a9c n LEU 50 Ca -0.02 -0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 55.48 1a9c n LEU 50 Cb 0.19 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1a9c n LEU 50 CO 0.29 0.19 -0.12 0.59 -1.33 0.00 0.00 177.39 177.01 1a9c n ASN 51 N -0.12 -3.63 -4.75 -1.43 3.02 -0.08 -5.01 115.26 103.27 1a9c n ASN 51 Ca 0.20 0.07 -0.40 0.00 -0.03 0.00 0.00 54.58 54.42 1a9c n ASN 51 Cb 0.30 -2.60 -0.05 0.00 -0.61 0.00 0.00 39.78 36.81 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 -2.68 4.60 -1.02 3.41 1.43 -0.75 -4.96 118.68 118.71 1a9c s LEU 52 Ca 0.00 1.96 -0.22 0.00 -1.03 0.00 0.00 54.13 54.84 1a9c s LEU 52 Cb 0.00 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.68 1a9c s LEU 52 CO 0.00 0.06 1.40 -0.62 0.23 0.00 0.00 176.35 177.42 1a9c s ASP 53 N -0.84 6.55 0.00 2.29 2.15 -1.26 -4.62 116.67 120.95 1a9c s ASP 53 Ca 0.43 -1.65 0.08 0.00 0.43 0.00 0.00 52.55 51.84 1a9c s ASP 53 Cb -0.26 -2.53 0.45 0.00 -0.30 0.00 0.00 42.92 40.27 1a9c s ASP 53 CO 0.33 -1.39 0.90 0.18 -0.17 0.00 0.00 175.17 175.01 1a9c n LEU 54 N 8.36 0.00 -0.04 -1.34 4.77 -1.26 -1.47 117.00 126.01 1a9c n LEU 54 Ca 0.32 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.43 1a9c n LEU 54 Cb 0.50 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.94 1a9c n LEU 54 CO 0.64 0.00 0.58 0.00 -1.33 0.00 0.00 177.39 177.28 1a9c n ALA 55 N -0.97 3.26 -2.25 -1.18 0.00 -1.26 -3.67 120.51 114.43 1a9c n ALA 55 Ca 0.06 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 1a9c n ALA 55 Cb 0.03 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.89 6.90 0.34 0.00 2.15 -0.54 -4.88 116.67 117.75 1a9c s ASP 56 Ca 0.15 2.22 0.13 0.00 0.43 0.00 0.00 52.55 55.48 1a9c s ASP 56 Cb 0.18 -2.58 1.10 0.00 -0.30 0.00 0.00 42.92 41.32 1a9c s ASP 56 CO 0.64 -0.60 1.59 -2.24 -0.17 0.00 0.00 175.17 174.38 1a9c h ASP 57 N 6.85 0.06 0.17 -0.34 2.03 -1.90 0.71 116.42 124.01 1a9c h ASP 57 Ca -0.42 0.26 -0.01 0.00 -0.73 0.00 0.00 57.03 56.13 1a9c h ASP 57 Cb 1.21 0.33 0.00 0.00 -0.83 0.00 0.00 39.33 40.04 1a9c h ASP 57 CO 0.85 -0.37 -0.08 -1.28 -1.03 0.00 0.00 179.24 177.33 1a9c h SER 58 N 0.04 -0.19 -0.87 4.15 0.87 -1.96 -3.35 113.55 112.24 1a9c h SER 58 Ca 0.74 0.01 0.21 0.00 -1.23 0.00 0.00 61.79 61.52 1a9c h SER 58 Cb 1.81 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 63.76 1a9c h SER 58 CO -0.80 0.07 0.59 -0.07 -0.53 0.00 0.00 176.83 176.09 1a9c h LEU 59 N -0.64 0.29 -1.00 2.23 3.38 -1.76 -3.01 115.31 114.79 1a9c h LEU 59 Ca -0.02 0.03 0.32 0.00 0.09 0.00 0.00 57.88 58.30 1a9c h LEU 59 Cb 0.17 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 40.75 1a9c h LEU 59 CO 0.04 0.12 0.55 -0.03 0.09 0.00 0.00 178.44 179.20 1a9c h MET 60 N 0.29 0.29 -0.11 1.13 4.05 -0.94 -1.48 114.93 118.16 1a9c h MET 60 Ca 0.44 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.84 1a9c h MET 60 Cb 1.26 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1a9c h MET 60 CO -0.13 0.19 0.00 0.39 0.23 0.00 0.00 176.91 177.59 1a9c n GLU 61 N -5.08 2.30 -0.19 0.39 1.02 -1.14 -4.55 120.64 113.39 1a9c n GLU 61 Ca 0.32 -1.91 -0.02 0.00 -0.02 0.00 0.00 57.16 55.53 1a9c n GLU 61 Cb 0.99 -1.47 0.09 0.00 -0.02 0.00 0.00 31.44 31.03 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 4.42 0.86 -0.71 2.62 2.02 -1.43 -0.32 112.91 120.38 1a9c h THR 62 Ca 0.00 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.07 1a9c h THR 62 Cb 0.95 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1a9c h THR 62 CO 0.00 0.09 0.47 -0.65 0.37 0.00 0.00 175.52 175.80 1a9c h PRO 63 N 0.48 0.77 0.08 6.66 0.11 -1.80 0.12 132.00 138.42 1a9c h PRO 63 Ca 0.28 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.34 1a9c h PRO 63 Cb 0.27 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1a9c h PRO 63 CO -0.24 0.51 -0.04 0.45 -0.21 0.00 0.00 178.00 178.47 1a9c h HIS 64 N 0.79 -0.10 -0.68 0.65 3.86 -1.61 -1.70 115.15 116.36 1a9c h HIS 64 Ca 0.30 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.58 1a9c h HIS 64 Cb 0.18 0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.62 1a9c h HIS 64 CO -0.00 0.26 0.36 0.00 0.86 0.00 0.00 177.93 179.41 1a9c h ARG 65 N -0.48 0.62 -0.40 2.45 3.08 -0.32 -1.20 114.38 118.13 1a9c h ARG 65 Ca -0.01 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1a9c h ARG 65 Cb 0.41 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1a9c h ARG 65 CO 0.02 0.41 0.02 0.82 -1.07 0.00 0.00 179.97 180.17 1a9c h ILE 66 N 0.64 1.25 -0.16 2.04 2.04 -0.77 -0.47 117.51 122.09 1a9c h ILE 66 Ca 0.32 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.23 1a9c h ILE 66 Cb 0.26 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1a9c h ILE 66 CO -0.22 0.33 0.05 0.00 0.00 0.00 0.00 178.15 178.30 1a9c h ALA 67 N 0.90 0.17 -0.46 1.87 0.00 -0.79 -0.13 119.26 120.81 1a9c h ALA 67 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1a9c h ALA 67 Cb 0.44 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1a9c h ALA 67 CO 0.02 -0.39 0.26 -0.22 0.00 0.00 0.00 179.25 178.92 1a9c h LYS 68 N 0.12 0.64 -0.00 0.00 3.64 -1.18 -1.59 116.57 118.19 1a9c h LYS 68 Ca 0.07 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1a9c h LYS 68 Cb 0.05 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1a9c h LYS 68 CO -0.08 0.49 -0.06 1.98 -2.27 0.00 0.00 179.45 179.51 1a9c h MET 69 N 0.61 -0.10 0.25 1.90 4.05 -0.71 0.31 114.93 121.24 1a9c h MET 69 Ca 0.16 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.58 1a9c h MET 69 Cb 0.03 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1a9c h MET 69 CO -0.03 -0.07 -0.12 1.88 0.23 0.00 0.00 176.91 178.80 1a9c h TYR 70 N -0.11 -0.32 -0.05 1.39 -1.99 -0.90 0.15 116.97 115.14 1a9c h TYR 70 Ca 0.03 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 1a9c h TYR 70 Cb 0.14 0.10 -0.00 0.00 2.00 0.00 0.00 36.73 38.98 1a9c h TYR 70 CO -0.13 -0.17 -0.07 0.28 -0.00 0.00 0.00 178.16 178.07 1a9c h VAL 71 N -0.38 1.40 0.04 -2.88 2.07 -1.22 -2.63 116.25 112.65 1a9c h VAL 71 Ca -0.03 -1.30 -0.31 0.00 0.82 0.00 0.00 66.70 65.87 1a9c h VAL 71 Cb 0.29 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1a9c h VAL 71 CO 0.06 0.35 -1.79 0.47 0.02 0.00 0.00 177.57 176.68 1a9c n ASP 72 N -4.72 1.27 0.00 0.57 8.00 0.11 -4.19 116.55 117.59 1a9c n ASP 72 Ca -0.08 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1a9c n ASP 72 Cb 0.31 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1a9c n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1a9c n GLU 73 N -3.18 0.00 0.32 -1.24 1.02 -0.12 -4.54 120.64 112.90 1a9c n GLU 73 Ca -0.21 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.05 1a9c n GLU 73 Cb 1.05 0.00 0.64 0.00 -0.02 0.00 0.00 31.44 33.12 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 0.02 0.00 -3.67 3.07 -1.33 -1.19 117.51 114.41 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 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 37.07 1a9c h ILE 74 CO 0.00 0.00 -0.01 0.49 -1.05 0.00 0.00 178.15 177.58 1a9c n PHE 75 N -2.85 0.00 0.29 0.16 3.72 -0.99 -2.66 117.46 115.13 1a9c n PHE 75 Ca -0.01 -0.73 0.19 0.00 -0.05 0.00 0.00 57.45 56.85 1a9c n PHE 75 Cb 0.53 -0.10 1.00 0.00 -0.94 0.00 0.00 39.48 39.97 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 0.00 0.00 0.51 4.37 4.64 -1.22 -1.18 113.55 120.67 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 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1a9c h SER 76 CO 0.00 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.19 1a9c h GLY 77 N 0.17 0.00 2.00 -0.77 0.00 -0.84 -2.43 103.07 101.20 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 -8.20 3.11 3.38 -1.31 -3.41 115.31 108.88 1a9c h LEU 78 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 1a9c h LEU 78 Cb 0.26 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.72 1a9c h LEU 78 CO 0.00 0.00 -0.61 -0.62 0.09 0.00 0.00 178.44 177.30 1a9c s ASP 79 N -4.50 5.30 0.00 -0.43 -1.08 -0.92 -4.97 116.67 110.07 1a9c s ASP 79 Ca 0.05 -1.13 0.05 0.00 -0.52 0.00 0.00 52.55 51.00 1a9c s ASP 79 Cb 0.10 -1.86 0.25 0.00 -1.46 0.00 0.00 42.92 39.95 1a9c s ASP 79 CO 0.46 -0.32 0.88 -1.22 0.52 0.00 0.00 175.17 175.48 1a9c n TYR 80 N 4.81 0.00 0.26 -5.34 4.02 -1.26 -0.46 117.16 119.18 1a9c n TYR 80 Ca -0.13 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.92 1a9c n TYR 80 Cb 0.45 -0.16 0.51 0.00 -0.02 0.00 0.00 39.34 40.12 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 2.25 1.00 -0.29 -0.72 0.00 -1.92 -2.59 119.26 117.00 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 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 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 2.38 -4.77 0.00 3.02 0.39 -4.96 115.26 108.24 1a9c n ASN 82 Ca 0.02 -1.85 -0.41 0.00 -0.03 0.00 0.00 54.58 52.31 1a9c n ASN 82 Cb 0.38 -0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.63 2.83 0.78 3.10 5.36 -0.98 -4.95 117.98 122.50 1a9c s PHE 83 Ca 0.34 1.17 -0.12 0.00 -0.96 0.00 0.00 56.93 57.36 1a9c s PHE 83 Cb 0.19 -3.88 0.07 0.00 -0.34 0.00 0.00 43.02 39.05 1a9c s PHE 83 CO 0.27 -2.65 1.15 -1.25 -1.46 0.00 0.00 175.22 171.28 1a9c s PRO 84 N -1.48 1.94 -0.26 10.12 0.04 -1.26 -4.96 135.00 139.14 1a9c s PRO 84 Ca 0.54 1.50 -0.28 0.00 0.04 0.00 0.00 61.00 62.80 1a9c s PRO 84 Cb -0.44 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1a9c s PRO 84 CO 0.54 -1.93 0.99 0.15 0.04 0.00 0.00 177.00 176.79 1a9c s LYS 85 N -4.40 4.17 -0.05 4.56 1.02 -1.26 -4.93 119.74 118.86 1a9c s LYS 85 Ca 0.68 1.15 -0.17 0.00 0.02 0.00 0.00 55.97 57.64 1a9c s LYS 85 Cb -0.23 -3.67 -0.05 0.00 -0.52 0.00 0.00 37.83 33.36 1a9c s LYS 85 CO 0.51 -0.68 0.46 0.42 -0.92 0.00 0.00 175.35 175.14 1a9c s ILE 86 N 3.22 5.07 -0.07 2.17 1.09 -1.26 -4.95 121.20 126.46 1a9c s ILE 86 Ca 0.42 0.94 0.02 0.00 -1.10 0.00 0.00 60.65 60.93 1a9c s ILE 86 Cb -0.14 -3.79 0.01 0.00 -1.06 0.00 0.00 42.46 37.48 1a9c s ILE 86 CO 0.09 0.45 -0.13 0.42 -0.10 0.00 0.00 174.94 175.67 1a9c s THR 87 N -0.21 1.24 -0.01 2.92 -4.23 -1.26 -5.10 115.64 108.99 1a9c s THR 87 Ca 0.25 -0.53 0.07 0.00 -1.18 0.00 0.00 61.69 60.31 1a9c s THR 87 Cb -0.16 -1.13 -0.02 0.00 1.34 0.00 0.00 72.50 72.53 1a9c s THR 87 CO 0.12 0.38 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.60 1a9c s LEU 88 N 0.73 2.06 -0.06 4.79 1.43 -1.26 -1.77 118.68 124.60 1a9c s LEU 88 Ca -0.13 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1a9c s LEU 88 Cb -0.16 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 1a9c s LEU 88 CO 0.03 0.26 -0.07 0.27 0.23 0.00 0.00 176.35 177.08 1a9c s ILE 89 N -0.57 3.72 0.21 -0.59 -4.36 0.30 -4.94 121.20 114.98 1a9c s ILE 89 Ca 0.09 -0.51 -0.32 0.00 -0.26 0.00 0.00 60.65 59.65 1a9c s ILE 89 Cb -0.09 -2.53 -0.13 0.00 1.25 0.00 0.00 42.46 40.97 1a9c s ILE 89 CO -0.00 0.57 1.63 1.21 0.24 0.00 0.00 174.94 178.59 1a9c n GLU 90 N 2.14 2.54 -1.25 0.37 2.13 -1.26 -0.84 120.64 124.46 1a9c n GLU 90 Ca -0.18 0.91 -0.39 0.00 0.66 0.00 0.00 57.16 58.16 1a9c n GLU 90 Cb 0.53 -2.71 -0.03 0.00 0.27 0.00 0.00 31.44 29.50 1a9c n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1a9c n ASN 91 N 3.33 3.65 0.11 4.31 5.15 -0.34 -4.54 115.26 126.93 1a9c n ASN 91 Ca 0.14 -2.66 -0.02 0.00 -0.60 0.00 0.00 54.58 51.45 1a9c n ASN 91 Cb 0.33 -1.29 0.05 0.00 -0.53 0.00 0.00 39.78 38.34 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 6.95 0.00 0.00 1.20 1.57 -1.88 -3.06 116.57 121.35 1a9c h LYS 92 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1a9c h LYS 92 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1a9c h LYS 92 CO 1.85 0.72 0.00 -1.33 -0.57 0.00 0.00 179.45 180.12 1a9c n MET 93 N -3.47 0.01 -3.67 3.15 2.81 -1.26 -4.84 117.12 109.85 1a9c n MET 93 Ca 0.00 0.37 -0.22 0.00 -1.81 0.00 0.00 57.70 56.04 1a9c n MET 93 Cb 0.76 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.82 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 -1.47 -5.80 -2.33 0.03 5.02 -1.16 -4.91 118.16 107.55 1a9c n LYS 94 Ca 0.02 0.69 -0.42 0.00 -2.02 0.00 0.00 58.31 56.58 1a9c n LYS 94 Cb 0.07 -5.48 -0.03 0.00 -0.02 0.00 0.00 35.03 29.57 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 -3.49 3.99 -0.04 -0.18 1.01 -1.26 -4.88 120.40 115.56 1a9c s VAL 95 Ca 0.20 1.32 0.05 0.00 0.00 0.00 0.00 61.98 63.55 1a9c s VAL 95 Cb -0.09 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.52 1a9c s VAL 95 CO 0.79 -0.02 0.97 -0.90 0.00 0.00 0.00 175.10 175.94 1a9c n ASP 96 N 5.58 1.66 -4.42 3.32 5.68 -1.26 -4.47 116.55 122.63 1a9c n ASP 96 Ca 0.13 -2.17 -0.26 0.00 -0.50 0.00 0.00 54.79 51.99 1a9c n ASP 96 Cb 0.45 -0.14 -0.11 0.00 -1.14 0.00 0.00 41.12 40.18 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 -1.31 1.52 0.47 0.11 0.41 -1.26 -4.93 118.70 113.70 1a9c s GLU 97 Ca 0.09 -1.56 -0.23 0.00 -0.41 0.00 0.00 54.97 52.86 1a9c s GLU 97 Cb 0.08 -1.77 -0.07 0.00 -1.78 0.00 0.00 34.13 30.59 1a9c s GLU 97 CO 0.01 0.37 1.22 0.00 -0.49 0.00 0.00 175.26 176.37 1a9c s MET 98 N -2.84 3.65 -0.15 1.61 0.23 -1.26 -4.35 119.30 116.19 1a9c s MET 98 Ca 0.22 1.91 -0.05 0.00 -1.03 0.00 0.00 55.69 56.74 1a9c s MET 98 Cb -0.07 -2.41 -0.03 0.00 -1.53 0.00 0.00 34.83 30.78 1a9c s MET 98 CO 0.10 -0.67 0.00 0.08 -2.03 0.00 0.00 175.02 172.50 1a9c s VAL 99 N -1.46 4.27 -0.12 5.16 1.01 0.13 -4.93 120.40 124.45 1a9c s VAL 99 Ca 0.64 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.41 1a9c s VAL 99 Cb -0.32 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1a9c s VAL 99 CO 0.39 0.50 -0.17 -0.89 0.00 0.00 0.00 175.10 174.92 1a9c s THR 100 N 0.17 1.69 -0.29 3.92 2.01 -1.26 -1.81 115.64 120.08 1a9c s THR 100 Ca 0.01 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 1a9c s THR 100 Cb -0.13 -1.53 -0.00 0.00 0.01 0.00 0.00 72.50 70.84 1a9c s THR 100 CO 0.02 0.48 0.09 -0.69 -0.69 0.00 0.00 174.62 173.83 1a9c s VAL 101 N 1.00 4.17 0.21 3.82 1.01 0.80 -5.00 120.40 126.41 1a9c s VAL 101 Ca -0.05 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.49 1a9c s VAL 101 Cb -0.15 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1a9c s VAL 101 CO -0.03 0.13 -0.04 0.00 0.00 0.00 0.00 175.10 175.16 1a9c s ARG 102 N 1.55 2.22 -1.31 2.72 1.70 -1.26 -0.92 118.95 123.64 1a9c s ARG 102 Ca 0.04 -1.28 -0.04 0.00 -0.47 0.00 0.00 55.73 53.97 1a9c s ARG 102 Cb -0.17 -2.21 0.01 0.00 -0.57 0.00 0.00 34.95 32.02 1a9c s ARG 102 CO 0.03 0.42 0.98 -0.25 -1.08 0.00 0.00 175.30 175.40 1a9c n ASP 103 N -0.31 -3.37 -4.68 -2.89 8.00 -1.08 -4.94 116.55 107.28 1a9c n ASP 103 Ca -0.09 -0.67 -0.42 0.00 0.71 0.00 0.00 54.79 54.32 1a9c n ASP 103 Cb 0.57 -4.68 -0.03 0.00 -0.02 0.00 0.00 41.12 36.96 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 -3.41 4.26 0.18 0.53 1.01 0.46 -4.82 121.20 119.41 1a9c s ILE 104 Ca 0.25 1.57 -0.32 0.00 0.00 0.00 0.00 60.65 62.16 1a9c s ILE 104 Cb -0.12 -4.01 -0.11 0.00 0.01 0.00 0.00 42.46 38.23 1a9c s ILE 104 CO 0.76 -0.03 1.74 -0.89 0.00 0.00 0.00 174.94 176.53 1a9c s THR 105 N 2.47 2.20 -0.11 2.92 2.01 -1.26 -0.93 115.64 122.95 1a9c s THR 105 Ca 0.56 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.58 1a9c s THR 105 Cb -0.24 -3.03 0.04 0.00 0.01 0.00 0.00 72.50 69.28 1a9c s THR 105 CO 0.20 0.00 0.02 -0.22 -0.69 0.00 0.00 174.62 173.94 1a9c s LEU 106 N 1.62 0.65 -0.16 4.42 0.20 -0.30 -4.80 118.68 120.31 1a9c s LEU 106 Ca 0.76 -0.29 0.01 0.00 0.69 0.00 0.00 54.13 55.29 1a9c s LEU 106 Cb -0.48 -0.42 0.03 0.00 -0.43 0.00 0.00 46.19 44.88 1a9c s LEU 106 CO 0.33 -0.24 -0.14 0.42 -0.29 0.00 0.00 176.35 176.43 1a9c s THR 107 N 1.98 1.65 0.12 3.68 -4.23 -1.26 -0.49 115.64 117.09 1a9c s THR 107 Ca 0.03 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.82 1a9c s THR 107 Cb -0.14 -1.56 -0.00 0.00 1.34 0.00 0.00 72.50 72.13 1a9c s THR 107 CO -0.06 0.42 0.04 -0.24 -0.54 0.00 0.00 174.62 174.24 1a9c n SER 108 N 4.74 1.18 -3.96 3.99 2.88 0.34 -4.48 113.62 118.31 1a9c n SER 108 Ca -0.17 -1.62 -0.18 0.00 -1.33 0.00 0.00 58.87 55.57 1a9c n SER 108 Cb 0.49 0.27 -0.15 0.00 -0.75 0.00 0.00 64.21 64.07 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 -1.92 0.57 0.09 2.46 2.01 -1.25 -1.40 115.64 116.20 1a9c s THR 109 Ca 0.05 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 1a9c s THR 109 Cb 0.00 -0.52 -0.06 0.00 0.01 0.00 0.00 72.50 71.94 1a9c s THR 109 CO 0.04 0.19 1.06 -0.94 -0.69 0.00 0.00 174.62 174.27 1a9c s SER 110 N 0.24 7.30 0.43 3.53 1.04 0.00 0.10 113.70 126.35 1a9c s SER 110 Ca -0.03 1.90 0.29 0.00 0.48 0.00 0.00 55.95 58.59 1a9c s SER 110 Cb -0.07 -2.59 1.09 0.00 0.10 0.00 0.00 66.02 64.55 1a9c s SER 110 CO -0.00 -0.25 1.85 1.05 0.98 0.00 0.00 173.24 176.87 1a9c h GLU 111 N 6.01 0.00 -0.01 4.02 4.11 -1.38 0.28 114.58 127.61 1a9c h GLU 111 Ca -0.43 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 58.80 1a9c h GLU 111 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1a9c h GLU 111 CO 0.75 0.00 -0.88 0.45 0.07 0.00 0.00 179.01 179.39 1a9c h HIS 112 N 0.00 0.49 0.00 2.06 3.86 -1.91 -3.39 115.15 116.26 1a9c h HIS 112 Ca 0.00 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1a9c h HIS 112 Cb 0.56 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1a9c h HIS 112 CO 0.00 1.06 0.00 0.72 0.86 0.00 0.00 177.93 180.57 1a9c n HIS 113 N -3.73 0.00 -3.68 2.45 8.25 -1.21 -5.02 115.22 112.28 1a9c n HIS 113 Ca -0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 1a9c n HIS 113 Cb 0.80 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.97 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 -0.05 -2.29 -4.47 4.41 3.01 0.97 -4.99 117.46 114.05 1a9c n PHE 114 Ca 0.00 0.92 -0.28 0.00 1.01 0.00 0.00 57.45 59.10 1a9c n PHE 114 Cb 0.14 -4.58 -0.13 0.00 -0.01 0.00 0.00 39.48 34.89 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 -3.43 2.10 0.26 -4.37 1.01 -1.24 -4.84 120.40 109.88 1a9c s VAL 115 Ca 0.30 -1.62 -0.29 0.00 0.00 0.00 0.00 61.98 60.37 1a9c s VAL 115 Cb -0.14 -1.85 -0.14 0.00 0.00 0.00 0.00 36.38 34.24 1a9c s VAL 115 CO 0.78 0.11 1.08 0.41 0.00 0.00 0.00 175.10 177.49 1a9c n THR 116 N 1.15 1.66 -3.94 3.92 -1.04 -1.26 -0.82 114.28 113.94 1a9c n THR 116 Ca -0.18 -0.41 -0.30 0.00 -2.04 0.00 0.00 64.05 61.12 1a9c n THR 116 Cb 0.53 -1.01 -0.16 0.00 -1.82 0.00 0.00 70.33 67.86 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 -0.78 1.39 -0.17 12.58 1.01 -0.49 -0.78 121.20 133.96 1a9c s ILE 117 Ca 0.63 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 1a9c s ILE 117 Cb -0.73 -1.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.18 1a9c s ILE 117 CO 0.57 0.08 -0.12 -0.62 0.00 0.00 0.00 174.94 174.86 1a9c s ASP 118 N 1.49 3.86 0.03 3.58 2.15 -0.54 -0.50 116.67 126.74 1a9c s ASP 118 Ca -0.02 -0.44 -0.01 0.00 0.43 0.00 0.00 52.55 52.51 1a9c s ASP 118 Cb -0.16 -1.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 1a9c s ASP 118 CO -0.08 0.06 0.06 0.61 -0.17 0.00 0.00 175.17 175.65 1a9c n GLY 119 N 4.25 2.12 2.89 2.66 0.00 0.36 -0.54 105.19 116.94 1a9c n GLY 119 Ca -0.19 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.02 0.15 0.11 1.61 1.02 0.13 -1.15 119.74 119.60 1a9c s LYS 120 Ca 0.01 -0.05 0.06 0.00 0.02 0.00 0.00 55.97 56.02 1a9c s LYS 120 Cb -0.00 -0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.10 1a9c s LYS 120 CO 0.01 0.02 -0.05 0.00 -0.92 0.00 0.00 175.35 174.41 1a9c s ALA 121 N 0.06 3.12 -0.14 5.17 0.00 -0.11 -1.49 121.76 128.38 1a9c s ALA 121 Ca -0.00 -1.21 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 1a9c s ALA 121 Cb -0.02 -1.02 0.03 0.00 0.00 0.00 0.00 23.12 22.11 1a9c s ALA 121 CO -0.00 0.64 -0.09 0.99 0.00 0.00 0.00 175.76 177.30 1a9c s THR 122 N -1.33 1.19 -0.05 0.00 2.01 0.14 -0.40 115.64 117.20 1a9c s THR 122 Ca 0.24 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.83 1a9c s THR 122 Cb -0.11 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 1a9c s THR 122 CO 0.16 0.33 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.49 1a9c s VAL 123 N 1.63 2.22 -0.01 3.82 1.01 -0.10 -1.27 120.40 127.71 1a9c s VAL 123 Ca 0.04 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1a9c s VAL 123 Cb -0.13 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 1a9c s VAL 123 CO -0.09 0.57 0.08 0.00 0.00 0.00 0.00 175.10 175.67 1a9c s ALA 124 N -0.32 -0.19 0.12 5.51 0.00 -0.58 -0.14 121.76 126.17 1a9c s ALA 124 Ca 0.01 -0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 1a9c s ALA 124 Cb -0.12 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.07 1a9c s ALA 124 CO 0.02 -0.15 0.42 1.52 0.00 0.00 0.00 175.76 177.58 1a9c s TYR 125 N -0.95 -0.25 -0.34 0.00 1.13 -0.75 -1.11 117.35 115.08 1a9c s TYR 125 Ca -0.10 -0.04 -0.06 0.00 -1.41 0.00 0.00 57.07 55.45 1a9c s TYR 125 Cb -0.06 0.29 0.04 0.00 -1.10 0.00 0.00 41.96 41.13 1a9c s TYR 125 CO 0.00 -0.71 0.10 0.42 -2.51 0.00 0.00 175.55 172.86 1a9c s ILE 126 N -3.71 3.78 0.17 -3.49 1.01 -0.97 -0.69 121.20 117.31 1a9c s ILE 126 Ca 0.02 -1.12 -0.33 0.00 0.00 0.00 0.00 60.65 59.22 1a9c s ILE 126 Cb 0.01 -3.13 -0.15 0.00 0.01 0.00 0.00 42.46 39.20 1a9c s ILE 126 CO -0.12 -0.17 1.32 -2.65 0.00 0.00 0.00 174.94 173.33 1a9c n PRO 127 N 4.81 1.55 0.00 2.79 -0.02 -1.26 -4.87 135.00 138.00 1a9c n PRO 127 Ca -0.13 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1a9c n PRO 127 Cb 0.45 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 2.21 0.00 0.05 -0.52 4.81 -1.26 -4.69 118.16 118.76 1a9c n LYS 128 Ca 0.15 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.54 1a9c n LYS 128 Cb 0.26 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.22 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 -4.74 3.14 3.32 -1.90 -3.45 116.42 112.78 1a9c h ASP 129 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 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 0.84 -0.70 -0.94 -1.72 0.00 0.00 179.24 176.73 1a9c s SER 130 N -6.38 0.98 -0.16 6.45 1.04 -1.26 -1.20 113.70 113.17 1a9c s SER 130 Ca -0.00 -0.96 -0.02 0.00 0.48 0.00 0.00 55.95 55.45 1a9c s SER 130 Cb 0.09 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 1a9c s SER 130 CO 0.81 -0.47 -0.09 -0.69 0.98 0.00 0.00 173.24 173.78 1a9c s VAL 131 N -3.48 3.27 0.33 5.02 1.01 -0.02 -4.75 120.40 121.79 1a9c s VAL 131 Ca 0.09 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 1a9c s VAL 131 Cb 0.04 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 1a9c s VAL 131 CO -0.05 0.49 0.80 -0.51 0.00 0.00 0.00 175.10 175.83 1a9c s ILE 132 N 0.73 4.56 0.14 2.22 2.07 -1.26 -0.54 121.20 129.11 1a9c s ILE 132 Ca -0.04 1.19 -0.31 0.00 -1.41 0.00 0.00 60.65 60.08 1a9c s ILE 132 Cb -0.15 -3.67 -0.10 0.00 0.13 0.00 0.00 42.46 38.67 1a9c s ILE 132 CO 0.02 -0.13 1.60 -0.83 -1.91 0.00 0.00 174.94 173.69 1a9c s GLY 133 N -2.11 1.55 0.24 1.50 0.00 -0.73 -4.90 107.32 102.86 1a9c s GLY 133 Ca 0.54 1.33 -0.12 0.00 0.00 0.00 0.00 44.72 46.47 1a9c s GLY 133 CO 0.17 2.73 1.60 1.41 0.00 0.00 0.00 173.10 179.01 1a9c h LEU 134 N 7.38 -0.73 -1.72 0.66 3.38 -1.94 -1.32 115.31 121.01 1a9c h LEU 134 Ca -0.43 0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1a9c h LEU 134 Cb 1.20 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 1a9c h LEU 134 CO 0.92 -0.26 0.19 0.77 0.09 0.00 0.00 178.44 180.16 1a9c h SER 135 N -0.00 0.32 -0.54 -0.43 4.64 -2.00 -2.30 113.55 113.25 1a9c h SER 135 Ca 0.37 -0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.76 1a9c h SER 135 Cb 0.56 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1a9c h SER 135 CO -0.80 0.23 0.36 0.11 -0.87 0.00 0.00 176.83 175.87 1a9c h LYS 136 N 0.38 0.39 -0.41 4.77 1.79 -1.60 0.91 116.57 122.80 1a9c h LYS 136 Ca 0.11 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1a9c h LYS 136 Cb -0.02 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 1a9c h LYS 136 CO -0.02 0.26 0.12 0.82 -1.08 0.00 0.00 179.45 179.55 1a9c h ILE 137 N 0.40 1.22 -0.08 1.86 2.04 -1.49 0.25 117.51 121.71 1a9c h ILE 137 Ca 0.24 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 1a9c h ILE 137 Cb 0.44 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1a9c h ILE 137 CO -0.06 0.25 0.04 0.78 0.00 0.00 0.00 178.15 179.16 1a9c h ASN 138 N 0.51 0.10 -0.48 1.72 2.35 -1.16 -2.06 115.58 116.56 1a9c h ASN 138 Ca 0.13 -0.12 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1a9c h ASN 138 Cb 0.27 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.56 1a9c h ASN 138 CO -0.00 0.19 0.20 0.03 -1.65 0.00 0.00 177.43 176.20 1a9c h ARG 139 N 0.01 0.39 -0.78 0.81 3.08 -0.50 -0.68 114.38 116.72 1a9c h ARG 139 Ca 0.03 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1a9c h ARG 139 Cb 0.11 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 1a9c h ARG 139 CO -0.00 0.26 0.41 0.82 -1.07 0.00 0.00 179.97 180.39 1a9c h ILE 140 N 0.41 1.24 0.07 2.04 2.04 -0.37 -0.29 117.51 122.64 1a9c h ILE 140 Ca 0.22 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1a9c h ILE 140 Cb 0.19 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1a9c h ILE 140 CO -0.19 0.27 -0.03 0.58 0.00 0.00 0.00 178.15 178.77 1a9c h VAL 141 N 1.08 0.96 -0.98 1.67 2.07 -0.63 -2.46 116.25 117.96 1a9c h VAL 141 Ca 0.27 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1a9c h VAL 141 Cb 0.06 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1a9c h VAL 141 CO -0.04 0.03 0.63 -0.61 0.02 0.00 0.00 177.57 177.60 1a9c h GLN 142 N -0.14 1.30 0.33 1.57 4.15 -0.85 -0.87 115.11 120.60 1a9c h GLN 142 Ca -0.01 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 1a9c h GLN 142 Cb 0.12 -0.29 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 1a9c h GLN 142 CO 0.02 0.87 -0.52 0.35 -1.93 0.00 0.00 178.83 177.62 1a9c h PHE 143 N 1.33 -1.47 0.00 3.99 3.57 -0.66 -0.01 116.94 123.69 1a9c h PHE 143 Ca 0.36 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 1a9c h PHE 143 Cb -0.13 0.60 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1a9c h PHE 143 CO 0.00 -0.64 -0.11 0.74 -2.23 0.00 0.00 178.31 176.07 1a9c h PHE 144 N -0.90 0.00 -0.19 0.41 0.04 -1.31 -2.42 116.94 112.57 1a9c h PHE 144 Ca -0.04 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.59 1a9c h PHE 144 Cb 0.83 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 1a9c h PHE 144 CO -0.35 0.11 -0.48 0.00 -0.60 0.00 0.00 178.31 176.99 1a9c h ALA 145 N 1.89 0.81 0.00 2.45 0.00 -0.18 -3.34 119.26 120.89 1a9c h ALA 145 Ca -0.00 -0.48 -0.58 0.00 0.00 0.00 0.00 54.91 53.86 1a9c h ALA 145 Cb 0.38 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1a9c h ALA 145 CO 0.01 0.67 2.99 1.04 0.00 0.00 0.00 179.25 183.96 1a9c n GLN 146 N -3.99 2.56 -3.46 0.00 1.13 -0.11 -4.14 117.38 109.36 1a9c n GLN 146 Ca -0.02 -1.95 -0.10 0.00 -1.94 0.00 0.00 57.00 52.98 1a9c n GLN 146 Cb 0.56 -2.80 -0.02 0.00 0.11 0.00 0.00 30.24 28.09 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 3.35 1.04 -0.33 -1.09 0.52 -1.09 -0.35 118.95 121.00 1a9c s ARG 147 Ca 0.53 -0.38 -0.29 0.00 -0.52 0.00 0.00 55.73 55.07 1a9c s ARG 147 Cb 0.14 0.48 -0.01 0.00 0.52 0.00 0.00 34.95 36.08 1a9c s ARG 147 CO -0.02 -0.45 1.53 -2.14 0.02 0.00 0.00 175.30 174.23 1a9c s PRO 148 N -3.42 3.63 0.48 3.54 0.02 -1.26 -3.79 135.00 134.21 1a9c s PRO 148 Ca 0.03 1.28 0.06 0.00 0.02 0.00 0.00 61.00 62.39 1a9c s PRO 148 Cb -0.01 -4.04 -0.00 0.00 0.02 0.00 0.00 34.50 30.46 1a9c s PRO 148 CO -0.11 -1.49 0.26 -0.65 -0.33 0.00 0.00 177.00 174.69 1a9c s GLN 149 N 4.90 2.26 -0.09 5.54 -1.52 0.11 -4.56 119.66 126.30 1a9c s GLN 149 Ca 0.67 -1.98 -0.02 0.00 -1.95 0.00 0.00 55.36 52.08 1a9c s GLN 149 Cb -0.19 -1.99 0.04 0.00 -0.22 0.00 0.00 33.01 30.64 1a9c s GLN 149 CO 0.30 -0.38 0.05 0.08 -0.25 0.00 0.00 175.29 175.09 1a9c s VAL 150 N -2.71 0.10 0.27 1.09 1.01 -1.26 -1.15 120.40 117.75 1a9c s VAL 150 Ca 0.33 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1a9c s VAL 150 Cb 0.00 -0.42 0.32 0.00 0.00 0.00 0.00 36.38 36.27 1a9c s VAL 150 CO 0.19 0.08 1.63 -0.61 0.00 0.00 0.00 175.10 176.39 1a9c h GLN 151 N 8.38 0.12 -0.93 2.72 4.15 -1.99 0.17 115.11 127.75 1a9c h GLN 151 Ca -0.15 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.38 1a9c h GLN 151 Cb 1.13 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.72 1a9c h GLN 151 CO 0.23 0.08 0.59 0.93 -1.93 0.00 0.00 178.83 178.73 1a9c h GLU 152 N 0.13 0.83 0.13 1.69 3.07 -1.99 -1.53 114.58 116.92 1a9c h GLU 152 Ca 0.50 -0.05 -0.25 0.00 -0.50 0.00 0.00 59.36 59.06 1a9c h GLU 152 Cb 0.97 -0.19 0.03 0.00 -0.84 0.00 0.00 28.75 28.72 1a9c h GLU 152 CO -0.71 0.55 -1.08 -0.09 -1.40 0.00 0.00 179.01 176.28 1a9c h ARG 153 N 0.86 0.49 -0.57 2.33 2.43 -1.17 -3.20 114.38 115.55 1a9c h ARG 153 Ca 0.45 -0.71 0.10 0.00 -0.81 0.00 0.00 59.98 59.01 1a9c h ARG 153 Cb 0.53 0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 30.25 1a9c h ARG 153 CO -0.21 1.32 0.16 1.25 -1.51 0.00 0.00 179.97 180.97 1a9c h LEU 154 N 0.02 0.09 -0.10 3.80 5.85 -0.45 -0.32 115.31 124.20 1a9c h LEU 154 Ca -0.17 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1a9c h LEU 154 Cb 1.80 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 1a9c h LEU 154 CO 0.21 0.06 0.02 0.74 -0.34 0.00 0.00 178.44 179.12 1a9c h THR 155 N 0.31 0.95 -0.53 1.05 2.02 -1.40 -2.00 112.91 113.32 1a9c h THR 155 Ca 0.29 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.48 1a9c h THR 155 Cb 0.39 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1a9c h THR 155 CO -0.34 0.01 0.30 1.56 0.37 0.00 0.00 175.52 177.42 1a9c h GLN 156 N 0.06 0.57 -0.09 6.66 1.08 -1.36 -1.46 115.11 120.56 1a9c h GLN 156 Ca 0.04 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1a9c h GLN 156 Cb 0.04 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.34 1a9c h GLN 156 CO -0.06 0.38 0.05 1.96 -0.95 0.00 0.00 178.83 180.21 1a9c h GLN 157 N 0.59 0.11 -0.59 1.46 4.20 -0.89 -1.43 115.11 118.56 1a9c h GLN 157 Ca 0.22 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.95 1a9c h GLN 157 Cb 0.07 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1a9c h GLN 157 CO -0.12 0.09 0.36 0.82 -0.67 0.00 0.00 178.83 179.32 1a9c h ILE 158 N 0.10 1.07 0.09 2.54 2.04 -1.14 0.03 117.51 122.25 1a9c h ILE 158 Ca 0.03 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.66 1a9c h ILE 158 Cb 0.01 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1a9c h ILE 158 CO -0.01 0.13 -0.22 0.25 0.00 0.00 0.00 178.15 178.31 1a9c h LEU 159 N 0.72 -0.61 -0.36 1.44 5.85 -0.91 -1.90 115.31 119.52 1a9c h LEU 159 Ca 0.24 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1a9c h LEU 159 Cb 0.02 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1a9c h LEU 159 CO -0.10 -0.30 0.20 0.40 -0.34 0.00 0.00 178.44 178.31 1a9c h ILE 160 N -0.40 1.14 -0.47 4.05 2.04 -0.95 -0.64 117.51 122.28 1a9c h ILE 160 Ca 0.03 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.65 1a9c h ILE 160 Cb 0.43 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 37.13 1a9c h ILE 160 CO -0.13 0.14 -0.04 0.00 0.00 0.00 0.00 178.15 178.11 1a9c h ALA 161 N 1.07 0.40 -0.22 1.87 0.00 -0.81 0.14 119.26 121.71 1a9c h ALA 161 Ca 0.13 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1a9c h ALA 161 Cb 0.04 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1a9c h ALA 161 CO -0.02 -0.41 -0.02 -0.07 0.00 0.00 0.00 179.25 178.73 1a9c h LEU 162 N 0.07 0.40 -0.64 0.00 3.38 -1.07 -1.56 115.31 115.90 1a9c h LEU 162 Ca 0.24 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1a9c h LEU 162 Cb 0.36 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1a9c h LEU 162 CO -0.43 0.64 0.34 1.56 0.09 0.00 0.00 178.44 180.63 1a9c h GLN 163 N 0.16 0.60 0.57 1.13 4.20 -0.63 0.81 115.11 121.96 1a9c h GLN 163 Ca 0.06 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1a9c h GLN 163 Cb 0.44 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.09 1a9c h GLN 163 CO 0.01 0.40 -0.27 1.15 -0.67 0.00 0.00 178.83 179.45 1a9c h THR 164 N 0.62 0.43 -0.75 -0.54 2.02 -0.87 -0.53 112.91 113.28 1a9c h THR 164 Ca 0.29 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.37 1a9c h THR 164 Cb 0.21 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1a9c h THR 164 CO -0.19 0.01 0.33 -0.07 0.37 0.00 0.00 175.52 175.97 1a9c h LEU 165 N -0.81 1.01 0.00 2.58 3.38 -1.04 -3.06 115.31 117.37 1a9c h LEU 165 Ca -0.08 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1a9c h LEU 165 Cb 0.61 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1a9c h LEU 165 CO 0.13 0.89 -0.03 -0.07 0.09 0.00 0.00 178.44 179.45 1a9c h LEU 166 N 1.07 0.00 0.63 1.67 3.38 -0.84 -3.48 115.31 117.74 1a9c h LEU 166 Ca 0.25 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.00 1a9c h LEU 166 Cb 0.17 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.94 1a9c h LEU 166 CO -0.03 0.00 -0.32 0.61 0.09 0.00 0.00 178.44 178.79 1a9c n GLY 167 N 1.21 -0.01 3.18 0.83 0.00 -0.23 -4.67 105.19 105.50 1a9c n GLY 167 Ca 0.05 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.81 0.05 -0.98 2.61 2.01 -1.09 -4.90 115.64 110.52 1a9c s THR 168 Ca 0.13 -0.39 0.24 0.00 0.31 0.00 0.00 61.69 61.98 1a9c s THR 168 Cb -0.06 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 1a9c s THR 168 CO 0.16 -0.22 1.33 0.59 -0.69 0.00 0.00 174.62 175.79 1a9c n ASN 169 N 1.81 0.58 -4.00 3.53 3.02 -1.26 -4.31 115.26 114.62 1a9c n ASN 169 Ca -0.19 -0.35 -0.41 0.00 -0.03 0.00 0.00 54.58 53.60 1a9c n ASN 169 Cb 0.56 0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 40.08 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 -1.52 3.63 -4.04 6.41 3.02 -1.26 -1.12 115.26 120.38 1a9c n ASN 170 Ca 0.05 -2.79 -0.13 0.00 -0.03 0.00 0.00 54.58 51.68 1a9c n ASN 170 Cb 0.34 -1.54 -0.12 0.00 -0.61 0.00 0.00 39.78 37.85 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 5.00 0.48 -0.08 2.41 1.01 -1.23 -2.28 120.40 125.71 1a9c s VAL 171 Ca 0.54 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1a9c s VAL 171 Cb 0.10 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.97 1a9c s VAL 171 CO 0.03 -0.32 0.20 0.00 0.00 0.00 0.00 175.10 175.01 1a9c s ALA 172 N -1.20 -0.46 -0.03 5.51 0.00 -0.27 0.08 121.76 125.39 1a9c s ALA 172 Ca -0.09 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.57 1a9c s ALA 172 Cb -0.09 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1a9c s ALA 172 CO 0.00 -0.13 -0.11 0.08 0.00 0.00 0.00 175.76 175.61 1a9c s VAL 173 N 0.54 0.90 -0.03 0.00 1.01 -0.48 -1.52 120.40 120.82 1a9c s VAL 173 Ca -0.04 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1a9c s VAL 173 Cb -0.05 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1a9c s VAL 173 CO -0.03 0.28 -0.05 -0.55 0.00 0.00 0.00 175.10 174.75 1a9c s SER 174 N 0.14 0.81 -0.06 3.32 0.15 -0.39 -0.66 113.70 117.02 1a9c s SER 174 Ca -0.03 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.53 1a9c s SER 174 Cb -0.09 -0.27 0.01 0.00 -1.71 0.00 0.00 66.02 63.96 1a9c s SER 174 CO 0.01 0.00 -0.11 -0.63 1.20 0.00 0.00 173.24 173.71 1a9c s ILE 175 N 0.44 1.02 -0.15 6.45 1.01 0.27 -0.68 121.20 129.56 1a9c s ILE 175 Ca -0.06 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1a9c s ILE 175 Cb -0.09 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.44 1a9c s ILE 175 CO -0.00 0.33 -0.18 -0.62 0.00 0.00 0.00 174.94 174.47 1a9c s ASP 176 N 0.63 3.45 0.06 3.58 -1.08 -0.56 -1.04 116.67 121.71 1a9c s ASP 176 Ca -0.13 -0.53 -0.16 0.00 -0.52 0.00 0.00 52.55 51.22 1a9c s ASP 176 Cb -0.15 -1.52 0.03 0.00 -1.46 0.00 0.00 42.92 39.82 1a9c s ASP 176 CO 0.03 0.07 0.37 0.00 0.52 0.00 0.00 175.17 176.16 1a9c s ALA 177 N 0.88 -0.86 -0.18 3.66 0.00 0.18 -0.69 121.76 124.75 1a9c s ALA 177 Ca -0.05 0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 1a9c s ALA 177 Cb -0.15 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1a9c s ALA 177 CO -0.02 -0.48 0.00 0.08 0.00 0.00 0.00 175.76 175.34 1a9c s VAL 178 N -2.83 4.10 -0.32 0.00 1.01 0.30 -0.84 120.40 121.82 1a9c s VAL 178 Ca -0.03 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 1a9c s VAL 178 Cb 0.00 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1a9c s VAL 178 CO -0.05 0.45 0.21 -1.00 0.00 0.00 0.00 175.10 174.71 1a9c s HIS 179 N 0.71 3.21 -0.69 5.22 3.76 -1.26 -1.47 115.29 124.78 1a9c s HIS 179 Ca 0.00 -0.23 0.18 0.00 -0.15 0.00 0.00 55.06 54.86 1a9c s HIS 179 Cb -0.14 -2.43 0.78 0.00 1.11 0.00 0.00 32.58 31.90 1a9c s HIS 179 CO 0.02 -0.34 1.55 0.66 -0.85 0.00 0.00 174.74 175.78 1a9c n TYR 180 N 5.07 0.44 1.42 1.40 4.02 0.04 -1.38 117.16 128.16 1a9c n TYR 180 Ca -0.13 0.18 0.03 0.00 -0.01 0.00 0.00 57.90 57.97 1a9c n TYR 180 Cb 0.50 -0.79 0.08 0.00 -0.02 0.00 0.00 39.34 39.11 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 0.01 0.00 -0.06 0.00 0.31 -0.48 -4.71 118.33 113.41 1a9c n VAL 182 Ca 0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.34 1a9c n VAL 182 Cb 0.16 -0.38 -0.04 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 -1.16 -0.52 116.57 124.08 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 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1a9c h LYS 183 CO 0.00 0.27 0.00 0.00 -2.27 0.00 0.00 179.45 177.45 1a9c n ALA 184 N -2.93 1.76 -3.82 5.00 0.00 0.76 -4.12 120.51 117.16 1a9c n ALA 184 Ca -0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 1a9c n ALA 184 Cb 0.19 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.96 1.17 7.40 0.00 3.00 -1.24 -4.96 118.95 121.35 1a9c s ARG 185 Ca 0.08 -0.71 0.00 0.00 -1.00 0.00 0.00 55.73 54.10 1a9c s ARG 185 Cb 0.11 0.35 0.00 0.00 0.00 0.00 0.00 34.95 35.41 1a9c s ARG 185 CO 0.29 -0.54 0.00 0.41 0.00 0.00 0.00 175.30 175.46 1a9c n GLY 186 N -0.62 2.32 0.17 8.12 0.00 -1.26 -2.45 105.19 111.46 1a9c n GLY 186 Ca -0.04 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -6.31 -0.61 2.10 -1.88 -3.48 117.51 107.34 1a9c h ILE 187 Ca 0.00 -0.56 -0.46 0.00 1.08 0.00 0.00 64.86 64.92 1a9c h ILE 187 Cb 0.00 1.51 0.03 0.00 -1.09 0.00 0.00 36.82 37.26 1a9c h ILE 187 CO 0.00 0.00 -0.90 0.54 -1.08 0.00 0.00 178.15 176.71 1a9c n ARG 188 N -2.60 -2.61 -2.91 2.19 1.74 -0.51 -4.91 116.66 107.05 1a9c n ARG 188 Ca 0.04 0.46 -0.43 0.00 -0.77 0.00 0.00 57.85 57.15 1a9c n ARG 188 Cb 0.39 -4.45 -0.04 0.00 -1.02 0.00 0.00 32.46 27.34 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 -3.96 6.25 0.18 0.55 -1.08 -0.32 -4.89 116.67 113.40 1a9c s ASP 189 Ca 0.22 -0.71 0.22 0.00 -0.52 0.00 0.00 52.55 51.76 1a9c s ASP 189 Cb -0.08 -2.40 0.89 0.00 -1.46 0.00 0.00 42.92 39.88 1a9c s ASP 189 CO 0.86 -1.23 1.68 0.00 0.52 0.00 0.00 175.17 177.00 1a9c n ALA 190 N 7.26 1.81 -0.05 3.66 0.00 -1.26 -4.10 120.51 127.83 1a9c n ALA 190 Ca -0.02 0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1a9c n ALA 190 Cb 0.46 -1.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.45 1a9c n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a9c n THR 191 N -2.03 0.67 -1.76 0.00 -2.24 -1.26 -5.05 114.28 102.61 1a9c n THR 191 Ca 0.03 -0.44 -0.35 0.00 -2.27 0.00 0.00 64.05 61.02 1a9c n THR 191 Cb 0.26 -0.62 0.06 0.00 -2.10 0.00 0.00 70.33 67.93 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 -4.23 4.79 0.01 3.42 1.04 -1.26 -5.06 113.70 112.41 1a9c s SER 192 Ca -0.05 2.34 -0.06 0.00 0.48 0.00 0.00 55.95 58.66 1a9c s SER 192 Cb 0.04 -2.59 -0.00 0.00 0.10 0.00 0.00 66.02 63.56 1a9c s SER 192 CO 0.45 -1.86 0.11 0.00 0.98 0.00 0.00 173.24 172.92 1a9c s ALA 193 N -1.81 -0.25 -0.07 5.32 0.00 -1.26 -4.77 121.76 118.91 1a9c s ALA 193 Ca 0.75 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.51 1a9c s ALA 193 Cb -0.29 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1a9c s ALA 193 CO 0.39 -0.20 -0.09 0.99 0.00 0.00 0.00 175.76 176.84 1a9c s THR 194 N -1.43 3.47 -0.09 0.00 2.01 -0.02 -4.93 115.64 114.64 1a9c s THR 194 Ca -0.15 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.32 1a9c s THR 194 Cb -0.08 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 70.03 1a9c s THR 194 CO 0.01 0.58 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.45 1a9c s THR 195 N -0.62 1.63 0.00 -0.82 2.01 -1.26 -0.65 115.64 115.94 1a9c s THR 195 Ca 0.09 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.38 1a9c s THR 195 Cb -0.11 -1.44 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 1a9c s THR 195 CO 0.02 0.46 -0.13 0.42 -0.69 0.00 0.00 174.62 174.70 1a9c s THR 196 N 0.62 1.00 0.01 -0.82 -4.23 -0.21 -4.99 115.64 107.02 1a9c s THR 196 Ca -0.14 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1a9c s THR 196 Cb -0.16 -0.85 -0.01 0.00 1.34 0.00 0.00 72.50 72.81 1a9c s THR 196 CO 0.04 0.20 -0.06 0.42 -0.54 0.00 0.00 174.62 174.69 1a9c s THR 197 N -0.44 0.40 -0.13 3.99 -4.23 -1.26 -0.56 115.64 113.41 1a9c s THR 197 Ca 0.04 -0.56 -0.01 0.00 -1.18 0.00 0.00 61.69 59.98 1a9c s THR 197 Cb -0.06 -0.41 0.03 0.00 1.34 0.00 0.00 72.50 73.41 1a9c s THR 197 CO -0.00 -0.12 -0.06 -0.94 -0.54 0.00 0.00 174.62 172.97 1a9c s SER 198 N -0.73 2.43 -0.09 3.99 1.04 0.17 -5.00 113.70 115.50 1a9c s SER 198 Ca -0.04 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 1a9c s SER 198 Cb -0.05 -0.84 -0.03 0.00 0.10 0.00 0.00 66.02 65.20 1a9c s SER 198 CO -0.00 -0.16 -0.03 -0.76 0.98 0.00 0.00 173.24 173.28 1a9c s LEU 199 N 1.70 3.39 0.17 2.42 1.43 -1.26 -1.38 118.68 125.15 1a9c s LEU 199 Ca 0.03 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1a9c s LEU 199 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1a9c s LEU 199 CO -0.08 0.33 -0.17 -0.83 0.23 0.00 0.00 176.35 175.84 1a9c s GLY 200 N -0.63 1.38 0.00 -3.19 0.00 0.11 -4.70 107.32 100.29 1a9c s GLY 200 Ca 0.10 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1a9c s GLY 200 CO 0.02 -1.57 0.00 0.61 0.00 0.00 0.00 173.10 172.16 1a9c n GLY 201 N 0.16 2.69 0.40 0.20 0.00 -0.27 -1.87 105.19 106.50 1a9c n GLY 201 Ca -0.12 -0.21 0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 0.30 -1.24 0.99 3.38 -1.94 0.83 115.31 117.63 1a9c h LEU 202 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1a9c h LEU 202 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1a9c h LEU 202 CO 0.00 0.14 0.00 0.49 0.09 0.00 0.00 178.44 179.16 1a9c n PHE 203 N -4.45 0.63 -0.05 1.13 3.72 -0.78 -0.52 117.46 117.14 1a9c n PHE 203 Ca 0.16 0.33 -0.07 0.00 -0.05 0.00 0.00 57.45 57.82 1a9c n PHE 203 Cb 0.66 -1.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.14 1a9c n PHE 203 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1a9c n LYS 204 N -2.15 0.22 0.24 -1.08 4.81 0.18 -4.08 118.16 116.29 1a9c n LYS 204 Ca -0.01 0.06 -0.13 0.00 -0.87 0.00 0.00 58.31 57.36 1a9c n LYS 204 Cb 0.03 -1.09 -0.07 0.00 0.02 0.00 0.00 35.03 33.92 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 -0.09 -0.54 -3.61 3.14 0.02 -1.00 -3.43 113.55 108.05 1a9c h SER 205 Ca -0.21 -0.08 -0.58 0.00 -0.84 0.00 0.00 61.79 60.08 1a9c h SER 205 Cb 1.28 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.88 1a9c h SER 205 CO -0.06 -0.14 0.75 -0.55 -1.14 0.00 0.00 176.83 175.69 1a9c s SER 206 N -4.84 6.64 0.51 3.07 0.15 0.32 -4.91 113.70 114.64 1a9c s SER 206 Ca -0.13 0.45 0.23 0.00 0.70 0.00 0.00 55.95 57.20 1a9c s SER 206 Cb 0.02 -2.50 1.38 0.00 -1.71 0.00 0.00 66.02 63.21 1a9c s SER 206 CO 0.44 -1.07 2.10 -0.61 1.20 0.00 0.00 173.24 175.30 1a9c h GLN 207 N 8.90 0.00 0.54 5.44 4.15 -1.83 0.62 115.11 132.94 1a9c h GLN 207 Ca -0.23 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 1a9c h GLN 207 Cb 1.07 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.76 1a9c h GLN 207 CO 1.06 0.10 -0.26 -0.97 -1.93 0.00 0.00 178.83 176.83 1a9c h ASN 208 N 0.00 -0.62 0.06 -0.69 -1.24 -1.92 -1.75 115.58 109.43 1a9c h ASN 208 Ca -0.00 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 56.96 1a9c h ASN 208 Cb 0.22 0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1a9c h ASN 208 CO 0.01 -0.32 -0.03 0.74 -1.29 0.00 0.00 177.43 176.54 1a9c h THR 209 N -0.91 0.97 -0.42 -3.57 2.02 -1.70 -2.53 112.91 106.76 1a9c h THR 209 Ca -0.07 -0.10 0.08 0.00 0.77 0.00 0.00 66.41 67.08 1a9c h THR 209 Cb 0.62 1.04 -0.09 0.00 -1.74 0.00 0.00 68.15 67.98 1a9c h THR 209 CO 0.12 0.03 -0.37 -0.09 0.37 0.00 0.00 175.52 175.58 1a9c h ARG 210 N -0.13 -0.26 -0.12 6.66 2.43 -0.90 -1.39 114.38 120.67 1a9c h ARG 210 Ca -0.01 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1a9c h ARG 210 Cb 0.11 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1a9c h ARG 210 CO 0.01 -0.18 -0.28 0.45 -1.51 0.00 0.00 179.97 178.47 1a9c h HIS 211 N -0.27 0.24 -0.89 2.20 3.86 -1.28 -0.95 115.15 118.06 1a9c h HIS 211 Ca 0.17 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1a9c h HIS 211 Cb 0.56 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.93 1a9c h HIS 211 CO -0.58 0.48 0.53 0.93 0.86 0.00 0.00 177.93 180.14 1a9c h GLU 212 N 0.19 1.21 0.24 2.45 5.08 -0.83 0.12 114.58 123.04 1a9c h GLU 212 Ca 0.03 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1a9c h GLU 212 Cb 0.60 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1a9c h GLU 212 CO 0.04 0.86 -0.12 0.35 -1.00 0.00 0.00 179.01 179.15 1a9c h PHE 213 N 1.23 -0.30 -0.94 4.33 3.57 -0.96 -2.77 116.94 121.09 1a9c h PHE 213 Ca 0.32 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.91 1a9c h PHE 213 Cb -0.03 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.74 1a9c h PHE 213 CO 0.00 0.06 0.60 -0.07 -2.23 0.00 0.00 178.31 176.68 1a9c h LEU 214 N -0.76 0.87 -0.92 0.59 3.38 -1.00 -0.85 115.31 116.62 1a9c h LEU 214 Ca -0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1a9c h LEU 214 Cb 0.50 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1a9c h LEU 214 CO 0.05 0.50 0.48 -0.09 0.09 0.00 0.00 178.44 179.48 1a9c h ARG 215 N 0.95 1.24 0.00 1.13 2.43 -0.79 -2.54 114.38 116.80 1a9c h ARG 215 Ca 0.44 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1a9c h ARG 215 Cb 0.41 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1a9c h ARG 215 CO -0.20 0.91 -0.10 0.00 -1.51 0.00 0.00 179.97 179.07 1a9c h ALA 216 N 1.28 1.01 -2.88 2.80 0.00 -0.88 -3.46 119.26 117.13 1a9c h ALA 216 Ca 0.31 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.61 1a9c h ALA 216 Cb 0.03 -0.02 0.09 0.00 0.00 0.00 0.00 17.79 17.90 1a9c h ALA 216 CO -0.05 0.12 0.61 0.08 0.00 0.00 0.00 179.25 180.01 1a9c s VAL 217 N -3.61 2.56 0.07 0.00 1.01 -0.81 -4.76 120.40 114.86 1a9c s VAL 217 Ca 0.01 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1a9c s VAL 217 Cb 0.09 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1a9c s VAL 217 CO 0.59 0.06 0.00 -1.14 0.00 0.00 0.00 175.10 174.61 1a9c n ARG 218 N -0.06 -1.71 -3.68 2.72 3.00 -1.26 -5.05 116.66 110.63 1a9c n ARG 218 Ca 0.05 1.49 -0.12 0.00 -0.00 0.00 0.00 57.85 59.27 1a9c n ARG 218 Cb 0.44 -1.31 -0.13 0.00 0.00 0.00 0.00 32.46 31.46 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 -0.38 -0.46 0.11 -0.14 3.76 -1.26 -5.13 115.29 111.79 1a9c s HIS 219 Ca 0.00 1.01 -0.31 0.00 -0.15 0.00 0.00 55.06 55.61 1a9c s HIS 219 Cb 0.00 0.04 -0.09 0.00 1.11 0.00 0.00 32.58 33.64 1a9c s HIS 219 CO 0.00 -0.34 1.58 -1.01 -0.85 0.00 0.00 174.74 174.12 1a9c s HIS 220 N 2.11 2.76 0.00 1.40 3.76 -1.26 -4.94 115.29 119.12 1a9c s HIS 220 Ca -0.02 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.41 1a9c s HIS 220 Cb -0.11 -3.91 0.00 0.00 1.11 0.00 0.00 32.58 29.67 1a9c s HIS 220 CO -0.09 -3.48 0.00 0.09 -0.85 0.00 0.00 174.74 170.40