#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fbx n SER 2 N 0.00 0.00 -4.28 3.54 2.88 -1.26 -5.16 113.62 109.34 1fbx n SER 2 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1fbx n SER 2 Cb 0.00 0.31 -0.10 0.00 -0.75 0.00 0.00 64.21 63.67 1fbx n SER 2 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1fbx s LEU 3 N -3.85 2.52 0.26 2.46 1.43 -1.26 -4.74 118.68 115.49 1fbx s LEU 3 Ca 0.00 -1.03 0.07 0.00 -1.03 0.00 0.00 54.13 52.13 1fbx s LEU 3 Cb 0.00 -0.44 -0.03 0.00 0.03 0.00 0.00 46.19 45.75 1fbx s LEU 3 CO 0.00 -0.30 0.26 -0.94 0.23 0.00 0.00 176.35 175.60 1fbx s SER 4 N -3.22 5.71 0.12 2.29 1.04 -1.26 -4.97 113.70 113.41 1fbx s SER 4 Ca 0.19 -0.19 -0.29 0.00 0.48 0.00 0.00 55.95 56.14 1fbx s SER 4 Cb 0.02 -1.47 -0.09 0.00 0.10 0.00 0.00 66.02 64.58 1fbx s SER 4 CO 0.03 -0.09 1.48 0.11 0.98 0.00 0.00 173.24 175.75 1fbx h LYS 5 N 1.36 -0.25 -0.11 4.02 1.57 -2.02 -1.85 116.57 119.29 1fbx h LYS 5 Ca -0.49 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.35 1fbx h LYS 5 Cb 1.24 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.54 1fbx h LYS 5 CO 0.60 -0.17 -0.39 0.93 -0.57 0.00 0.00 179.45 179.85 1fbx h GLU 6 N -0.26 -0.47 -0.40 3.15 3.07 -1.97 -0.22 114.58 117.48 1fbx h GLU 6 Ca 0.08 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 59.05 1fbx h GLU 6 Cb 0.49 0.11 -0.09 0.00 -0.84 0.00 0.00 28.75 28.41 1fbx h GLU 6 CO -0.61 -0.31 -0.37 0.00 -1.40 0.00 0.00 179.01 176.32 1fbx h ALA 7 N 0.17 -0.28 -0.42 3.43 0.00 -1.86 -1.00 119.26 119.29 1fbx h ALA 7 Ca 0.08 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1fbx h ALA 7 Cb 0.61 0.78 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 1fbx h ALA 7 CO -0.37 -0.78 -0.04 0.00 0.00 0.00 0.00 179.25 178.05 1fbx h ALA 8 N 0.62 0.35 -0.65 0.00 0.00 -0.82 0.00 119.26 118.75 1fbx h ALA 8 Ca 0.16 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1fbx h ALA 8 Cb 0.56 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1fbx h ALA 8 CO -0.55 -0.42 0.34 -0.07 0.00 0.00 0.00 179.25 178.55 1fbx h LEU 9 N 0.06 0.83 0.08 0.00 3.38 -0.29 -1.36 115.31 118.01 1fbx h LEU 9 Ca 0.21 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1fbx h LEU 9 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1fbx h LEU 9 CO -0.38 0.70 -0.04 0.58 0.09 0.00 0.00 178.44 179.39 1fbx h VAL 10 N 0.90 1.00 -0.15 1.22 2.07 -0.76 0.03 116.25 120.56 1fbx h VAL 10 Ca 0.23 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1fbx h VAL 10 Cb 0.07 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1fbx h VAL 10 CO -0.03 0.07 -0.08 -0.74 0.02 0.00 0.00 177.57 176.80 1fbx h HIS 11 N -0.22 -0.19 -0.45 1.57 -0.00 -0.88 0.17 115.15 115.13 1fbx h HIS 11 Ca -0.01 0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.46 1fbx h HIS 11 Cb 0.19 0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 27.64 1fbx h HIS 11 CO -0.03 -0.13 0.06 0.93 -0.00 0.00 0.00 177.93 178.76 1fbx h GLU 12 N -0.07 0.18 -0.97 5.26 5.08 -1.13 -0.25 114.58 122.68 1fbx h GLU 12 Ca 0.09 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1fbx h GLU 12 Cb 0.20 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1fbx h GLU 12 CO -0.20 0.12 0.63 0.00 -1.00 0.00 0.00 179.01 178.56 1fbx h ALA 13 N 1.37 1.42 0.01 3.43 0.00 0.24 0.12 119.26 125.85 1fbx h ALA 13 Ca 0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1fbx h ALA 13 Cb 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fbx h ALA 13 CO -0.32 0.46 -0.01 -0.07 0.00 0.00 0.00 179.25 179.31 1fbx h LEU 14 N 1.16 -0.02 -0.54 0.00 3.38 -0.07 -3.02 115.31 116.21 1fbx h LEU 14 Ca 0.40 -0.66 0.09 0.00 0.09 0.00 0.00 57.88 57.80 1fbx h LEU 14 Cb 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1fbx h LEU 14 CO -0.14 0.67 0.14 0.58 0.09 0.00 0.00 178.44 179.77 1fbx h VAL 15 N -0.71 0.72 -0.83 1.22 2.07 -0.81 0.36 116.25 118.28 1fbx h VAL 15 Ca -0.00 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.53 1fbx h VAL 15 Cb 0.68 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 1fbx h VAL 15 CO 0.00 0.05 0.47 0.00 0.02 0.00 0.00 177.57 178.11 1fbx h ALA 16 N 1.41 1.20 -0.00 1.67 0.00 -0.82 0.42 119.26 123.14 1fbx h ALA 16 Ca 0.27 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1fbx h ALA 16 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1fbx h ALA 16 CO -0.33 0.06 -0.17 0.54 0.00 0.00 0.00 179.25 179.34 1fbx n ARG 17 N -4.77 0.55 -2.98 0.00 3.00 -0.49 -4.95 116.66 107.01 1fbx n ARG 17 Ca 0.14 -0.22 -0.12 0.00 -0.01 0.00 0.00 57.85 57.64 1fbx n ARG 17 Cb 0.31 -1.50 0.06 0.00 0.00 0.00 0.00 32.46 31.34 1fbx n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fbx n GLY 18 N 1.34 -0.42 0.00 -0.13 0.00 0.12 -4.94 105.19 101.16 1fbx n GLY 18 Ca 0.12 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1fbx n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fbx n LEU 19 N -3.14 0.95 -4.79 0.99 4.77 -0.60 -5.01 117.00 110.17 1fbx n LEU 19 Ca -0.14 -0.95 -0.33 0.00 -0.03 0.00 0.00 56.01 54.55 1fbx n LEU 19 Cb 0.61 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.71 1fbx n LEU 19 CO 0.46 0.24 0.74 -1.61 -1.33 0.00 0.00 177.39 175.89 1fbx s GLU 20 N -0.48 3.30 0.20 3.23 0.41 -1.26 -4.83 118.70 119.28 1fbx s GLU 20 Ca 0.00 1.36 -0.31 0.00 -0.41 0.00 0.00 54.97 55.60 1fbx s GLU 20 Cb 0.00 -2.02 -0.10 0.00 -1.78 0.00 0.00 34.13 30.23 1fbx s GLU 20 CO 0.00 -0.84 1.55 0.99 -0.49 0.00 0.00 175.26 176.47 1fbx s THR 21 N -2.20 2.54 -0.21 3.63 2.01 -1.26 -4.83 115.64 115.32 1fbx s THR 21 Ca 0.67 0.40 -0.32 0.00 0.31 0.00 0.00 61.69 62.75 1fbx s THR 21 Cb -0.19 -3.26 -0.09 0.00 0.01 0.00 0.00 72.50 68.97 1fbx s THR 21 CO 0.33 0.04 2.09 -2.65 -0.69 0.00 0.00 174.62 173.74 1fbx n PRO 22 N 3.46 1.80 -4.28 4.92 -0.02 -1.26 -4.96 135.00 134.67 1fbx n PRO 22 Ca 0.12 0.57 -0.17 0.00 -2.02 0.00 0.00 63.50 62.00 1fbx n PRO 22 Cb 0.39 -2.80 -0.10 0.00 -0.02 0.00 0.00 33.50 30.96 1fbx n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1fbx s LEU 23 N 6.48 2.50 -0.12 2.45 1.02 -1.26 -5.15 118.68 124.60 1fbx s LEU 23 Ca 1.00 -0.95 0.03 0.00 0.02 0.00 0.00 54.13 54.24 1fbx s LEU 23 Cb -0.61 -0.53 0.00 0.00 0.02 0.00 0.00 46.19 45.07 1fbx s LEU 23 CO 0.45 -0.21 -0.23 -0.13 0.02 0.00 0.00 176.35 176.25 1fbx s ARG 24 N -3.35 3.05 0.00 1.70 0.52 -1.26 -5.08 118.95 114.53 1fbx s ARG 24 Ca 0.16 -0.87 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 1fbx s ARG 24 Cb -0.01 -2.36 -0.16 0.00 0.52 0.00 0.00 34.95 32.95 1fbx s ARG 24 CO 0.03 0.11 0.83 -2.30 0.02 0.00 0.00 175.30 174.00 1fbx n PRO 25 N 3.72 0.00 -0.21 3.54 -0.02 -1.26 -4.69 135.00 136.09 1fbx n PRO 25 Ca -0.19 0.00 0.29 0.00 -2.02 0.00 0.00 63.50 61.58 1fbx n PRO 25 Cb 0.52 -1.17 0.56 0.00 -0.02 0.00 0.00 33.50 33.39 1fbx n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1fbx h PRO 26 N 2.32 0.00 0.00 0.52 0.11 -2.04 -3.45 132.00 129.46 1fbx h PRO 26 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1fbx h PRO 26 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1fbx h PRO 26 CO 0.51 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.58 1fbx n VAL 27 N -3.45 0.00 -4.81 3.15 0.31 -1.26 -4.73 118.33 107.53 1fbx n VAL 27 Ca 0.22 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.24 1fbx n VAL 27 Cb 1.38 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 34.18 1fbx n VAL 27 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1fbx s HIS 28 N 0.00 2.59 -0.84 3.52 -3.43 -1.26 -5.03 115.29 110.84 1fbx s HIS 28 Ca 0.00 -0.24 -0.22 0.00 -0.80 0.00 0.00 55.06 53.81 1fbx s HIS 28 Cb 0.00 -1.53 -0.19 0.00 -1.43 0.00 0.00 32.58 29.43 1fbx s HIS 28 CO 0.00 0.20 2.21 0.39 -2.00 0.00 0.00 174.74 175.54 1fbx n GLU 29 N 1.92 0.32 -3.51 -0.38 1.02 -1.26 -4.90 120.64 113.85 1fbx n GLU 29 Ca -0.16 -0.85 -0.37 0.00 -0.02 0.00 0.00 57.16 55.75 1fbx n GLU 29 Cb 0.52 -3.14 -0.09 0.00 -0.02 0.00 0.00 31.44 28.72 1fbx n GLU 29 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1fbx s MET 30 N 8.27 4.12 0.82 3.49 1.75 -1.26 -5.06 119.30 131.42 1fbx s MET 30 Ca 0.90 -0.03 -0.15 0.00 -1.25 0.00 0.00 55.69 55.17 1fbx s MET 30 Cb -0.22 -3.55 -0.00 0.00 2.84 0.00 0.00 34.83 33.90 1fbx s MET 30 CO 0.18 -0.01 0.51 -3.47 -0.65 0.00 0.00 175.02 171.58 1fbx n ASP 31 N 4.44 -1.45 -0.05 1.11 2.03 -1.26 -4.84 116.55 116.53 1fbx n ASP 31 Ca -0.11 0.48 -0.15 0.00 0.52 0.00 0.00 54.79 55.53 1fbx n ASP 31 Cb 0.51 -1.23 -0.13 0.00 -0.72 0.00 0.00 41.12 39.56 1fbx n ASP 31 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1fbx h ASN 32 N -0.88 0.07 -0.86 1.67 4.21 -1.98 -1.44 115.58 116.36 1fbx h ASN 32 Ca -0.45 -0.98 0.13 0.00 1.21 0.00 0.00 56.30 56.21 1fbx h ASN 32 Cb 1.32 -0.02 -0.07 0.00 -1.12 0.00 0.00 38.32 38.43 1fbx h ASN 32 CO 0.39 1.04 0.56 -0.33 -1.29 0.00 0.00 177.43 177.80 1fbx h GLU 33 N -0.90 0.67 0.60 0.81 5.08 -2.00 0.16 114.58 119.01 1fbx h GLU 33 Ca -0.02 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1fbx h GLU 33 Cb 1.08 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.18 1fbx h GLU 33 CO 0.02 0.45 -0.29 1.15 -1.00 0.00 0.00 179.01 179.34 1fbx h THR 34 N 0.69 0.22 -0.93 1.13 2.02 -1.95 -2.65 112.91 111.44 1fbx h THR 34 Ca 0.42 -0.34 0.22 0.00 0.77 0.00 0.00 66.41 67.48 1fbx h THR 34 Cb 0.66 0.30 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 1fbx h THR 34 CO -0.19 0.03 0.62 0.03 0.37 0.00 0.00 175.52 176.38 1fbx h ARG 35 N -1.09 0.38 0.38 6.66 3.08 0.03 -0.80 114.38 123.03 1fbx h ARG 35 Ca -0.08 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1fbx h ARG 35 Cb 0.67 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1fbx h ARG 35 CO 0.14 0.25 -0.18 0.87 -1.07 0.00 0.00 179.97 179.98 1fbx h LYS 36 N 0.39 -0.49 -0.34 0.04 1.57 -0.68 -2.72 116.57 114.35 1fbx h LYS 36 Ca 0.49 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.40 1fbx h LYS 36 Cb 1.26 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 1fbx h LYS 36 CO -0.19 -0.18 0.24 0.66 -0.57 0.00 0.00 179.45 179.41 1fbx h SER 37 N -0.86 0.03 -0.46 0.86 4.64 -0.89 0.25 113.55 117.12 1fbx h SER 37 Ca -0.05 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 1fbx h SER 37 Cb 0.54 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1fbx h SER 37 CO 0.09 0.02 -0.07 -0.07 -0.87 0.00 0.00 176.83 175.93 1fbx h LEU 38 N 0.03 0.85 -0.31 5.97 3.38 -1.16 -1.88 115.31 122.19 1fbx h LEU 38 Ca 0.16 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1fbx h LEU 38 Cb 0.60 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1fbx h LEU 38 CO -0.01 0.99 -0.11 0.40 0.09 0.00 0.00 178.44 179.80 1fbx h ILE 39 N 0.70 1.29 -0.22 1.22 2.04 -0.60 -2.73 117.51 119.21 1fbx h ILE 39 Ca 0.12 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 64.83 1fbx h ILE 39 Cb 0.60 1.41 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 1fbx h ILE 39 CO 0.04 0.38 -0.52 0.00 0.00 0.00 0.00 178.15 178.05 1fbx h ALA 40 N 0.78 -0.84 -0.89 1.87 0.00 -0.46 0.23 119.26 119.95 1fbx h ALA 40 Ca 0.07 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.08 1fbx h ALA 40 Cb 0.62 1.03 -0.14 0.00 0.00 0.00 0.00 17.79 19.30 1fbx h ALA 40 CO 0.04 -1.05 -0.40 0.78 0.00 0.00 0.00 179.25 178.62 1fbx h GLY 41 N -0.50 -0.08 0.72 0.00 0.00 -1.24 1.32 103.07 103.29 1fbx h GLY 41 Ca 0.04 0.53 0.10 0.00 0.00 0.00 0.00 47.33 48.01 1fbx h GLY 41 CO -0.47 -0.18 0.56 0.45 0.00 0.00 0.00 176.54 176.90 1fbx h HIS 42 N -0.05 0.89 -0.35 5.60 -0.00 -0.78 0.67 115.15 121.13 1fbx h HIS 42 Ca 0.30 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.61 1fbx h HIS 42 Cb 0.57 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 1fbx h HIS 42 CO -0.83 0.40 -0.09 0.52 -0.00 0.00 0.00 177.93 177.93 1fbx h MET 43 N 0.81 0.67 -0.89 2.45 2.86 0.47 -1.07 114.93 120.24 1fbx h MET 43 Ca 0.41 -0.26 0.11 0.00 -2.06 0.00 0.00 59.70 57.90 1fbx h MET 43 Cb 0.47 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.01 1fbx h MET 43 CO -0.17 0.84 0.52 1.15 1.06 0.00 0.00 176.91 180.31 1fbx h THR 44 N 0.46 0.89 -0.61 2.22 2.02 0.11 0.24 112.91 118.24 1fbx h THR 44 Ca 0.09 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1fbx h THR 44 Cb 0.59 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1fbx h THR 44 CO 0.04 0.15 0.16 -0.33 0.37 0.00 0.00 175.52 175.91 1fbx h GLU 45 N 0.84 0.96 -0.26 6.66 4.39 -0.54 -1.99 114.58 124.64 1fbx h GLU 45 Ca 0.44 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.81 1fbx h GLU 45 Cb 0.44 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1fbx h GLU 45 CO -0.27 0.87 -0.24 0.82 -1.16 0.00 0.00 179.01 179.03 1fbx h ILE 46 N 0.88 1.31 -0.92 3.13 2.04 0.14 -2.10 117.51 121.98 1fbx h ILE 46 Ca 0.19 -1.40 0.02 0.00 1.00 0.00 0.00 64.86 64.67 1fbx h ILE 46 Cb 0.33 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 1fbx h ILE 46 CO -0.00 0.44 0.61 0.24 0.00 0.00 0.00 178.15 179.44 1fbx h MET 47 N 0.34 1.19 0.00 2.37 2.86 -0.51 -0.98 114.93 120.20 1fbx h MET 47 Ca 0.04 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 1fbx h MET 47 Cb 0.80 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1fbx h MET 47 CO 0.06 0.79 -0.45 1.96 1.06 0.00 0.00 176.91 180.33 1fbx h GLN 48 N 1.23 0.00 0.00 1.72 4.20 -1.27 -0.88 115.11 120.11 1fbx h GLN 48 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1fbx h GLN 48 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1fbx h GLN 48 CO -0.09 0.45 0.00 1.28 -0.67 0.00 0.00 178.83 179.80 1fbx n LEU 49 N -3.88 0.03 -0.55 1.46 4.77 -0.43 -1.59 117.00 116.81 1fbx n LEU 49 Ca -0.01 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.58 1fbx n LEU 49 Cb 0.49 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1fbx n LEU 49 CO 0.39 -0.22 0.35 0.18 -1.33 0.00 0.00 177.39 176.76 1fbx n LEU 50 N -1.53 2.11 -0.82 2.23 4.77 -0.36 -4.99 117.00 118.42 1fbx n LEU 50 Ca 0.04 -0.80 -0.04 0.00 -0.03 0.00 0.00 56.01 55.18 1fbx n LEU 50 Cb 0.20 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1fbx n LEU 50 CO 0.16 0.39 0.01 0.59 -1.33 0.00 0.00 177.39 177.20 1fbx n ASN 51 N 0.19 -2.45 -4.78 -1.43 3.02 -0.62 -5.04 115.26 104.14 1fbx n ASN 51 Ca 0.09 -0.06 -0.38 0.00 -0.03 0.00 0.00 54.58 54.21 1fbx n ASN 51 Cb 0.46 -1.34 -0.06 0.00 -0.61 0.00 0.00 39.78 38.23 1fbx n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fbx s LEU 52 N -1.75 4.36 -1.16 3.41 1.43 -1.07 -4.99 118.68 118.91 1fbx s LEU 52 Ca 0.06 0.79 -0.21 0.00 -1.03 0.00 0.00 54.13 53.75 1fbx s LEU 52 Cb -0.03 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.68 1fbx s LEU 52 CO 0.08 0.18 1.69 -0.62 0.23 0.00 0.00 176.35 177.91 1fbx s ASP 53 N -0.21 6.37 0.00 2.29 2.15 -1.26 -4.64 116.67 121.37 1fbx s ASP 53 Ca 0.22 -1.89 0.00 0.00 0.43 0.00 0.00 52.55 51.32 1fbx s ASP 53 Cb -0.15 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1fbx s ASP 53 CO 0.10 -1.64 0.72 0.18 -0.17 0.00 0.00 175.17 174.36 1fbx n LEU 54 N 9.73 0.00 0.00 -1.34 4.77 -1.26 -0.47 117.00 128.43 1fbx n LEU 54 Ca 0.43 0.25 0.12 0.00 -0.03 0.00 0.00 56.01 56.77 1fbx n LEU 54 Cb 0.48 -0.25 0.58 0.00 -2.33 0.00 0.00 43.42 41.90 1fbx n LEU 54 CO 0.71 -0.25 0.89 0.00 -1.33 0.00 0.00 177.39 177.41 1fbx n ALA 55 N -1.22 2.19 -1.78 -1.18 0.00 -1.26 -4.11 120.51 113.15 1fbx n ALA 55 Ca 0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 53.44 52.96 1fbx n ALA 55 Cb 0.04 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 1fbx n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1fbx s ASP 56 N -2.69 6.74 0.03 0.00 2.15 0.38 -4.92 116.67 118.36 1fbx s ASP 56 Ca 0.20 2.15 0.19 0.00 0.43 0.00 0.00 52.55 55.51 1fbx s ASP 56 Cb 0.16 -2.60 0.79 0.00 -0.30 0.00 0.00 42.92 40.97 1fbx s ASP 56 CO 0.39 -0.51 1.59 -0.90 -0.17 0.00 0.00 175.17 175.57 1fbx n ASP 57 N 0.11 0.09 -0.11 -0.34 5.75 -1.26 -0.47 116.55 120.32 1fbx n ASP 57 Ca 0.04 0.52 -0.19 0.00 -0.01 0.00 0.00 54.79 55.15 1fbx n ASP 57 Cb 0.48 -0.54 -0.09 0.00 -1.03 0.00 0.00 41.12 39.94 1fbx n ASP 57 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1fbx n SER 58 N -1.59 2.01 0.00 -1.12 2.88 -1.26 -4.41 113.62 110.12 1fbx n SER 58 Ca 0.04 0.06 0.14 0.00 -1.33 0.00 0.00 58.87 57.78 1fbx n SER 58 Cb 0.22 -0.48 0.71 0.00 -0.75 0.00 0.00 64.21 63.91 1fbx n SER 58 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1fbx n LEU 59 N -3.53 0.00 0.53 2.46 4.77 -1.19 -4.12 117.00 115.92 1fbx n LEU 59 Ca -0.41 0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 55.61 1fbx n LEU 59 Cb 0.86 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 1fbx n LEU 59 CO 0.13 -0.02 0.54 -0.03 -1.33 0.00 0.00 177.39 176.67 1fbx h MET 60 N 0.00 -1.30 0.00 3.23 4.05 -0.92 -3.30 114.93 116.69 1fbx h MET 60 Ca 0.00 0.09 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 1fbx h MET 60 Cb 0.22 0.30 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 1fbx h MET 60 CO 0.00 -0.87 -0.18 0.93 0.23 0.00 0.00 176.91 177.02 1fbx h GLU 61 N -1.35 0.00 -0.79 0.39 4.39 -1.85 -3.39 114.58 111.98 1fbx h GLU 61 Ca -0.14 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.67 1fbx h GLU 61 Cb 1.04 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.57 1fbx h GLU 61 CO 0.22 0.18 -0.36 2.41 -1.16 0.00 0.00 179.01 180.30 1fbx n THR 62 N -3.26 -0.46 -0.14 1.13 -1.04 -1.24 -0.24 114.28 109.02 1fbx n THR 62 Ca 0.01 1.87 0.20 0.00 -2.04 0.00 0.00 64.05 64.09 1fbx n THR 62 Cb 0.46 -2.41 0.59 0.00 -1.82 0.00 0.00 70.33 67.16 1fbx n THR 62 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1fbx h PRO 63 N 0.00 0.22 0.03 -2.82 0.11 -1.82 0.41 132.00 128.13 1fbx h PRO 63 Ca 0.22 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.13 1fbx h PRO 63 Cb 0.42 -0.05 0.02 0.00 0.11 0.00 0.00 31.00 31.50 1fbx h PRO 63 CO -0.77 0.15 -0.74 1.25 -0.21 0.00 0.00 178.00 177.68 1fbx h HIS 64 N 0.23 0.69 -0.68 0.65 2.76 -0.93 -2.52 115.15 115.35 1fbx h HIS 64 Ca 0.37 -0.40 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 1fbx h HIS 64 Cb 1.12 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.98 1fbx h HIS 64 CO -0.00 1.23 0.26 0.00 -1.30 0.00 0.00 177.93 178.12 1fbx h ARG 65 N -0.04 1.03 0.00 5.26 3.08 -0.38 0.04 114.38 123.37 1fbx h ARG 65 Ca -0.10 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 1fbx h ARG 65 Cb 1.46 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 1fbx h ARG 65 CO 0.14 0.87 -0.14 0.82 -1.07 0.00 0.00 179.97 180.59 1fbx h ILE 66 N 0.98 0.41 0.04 2.04 2.04 -0.30 -1.06 117.51 121.66 1fbx h ILE 66 Ca 0.23 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 1fbx h ILE 66 Cb 0.23 1.59 0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1fbx h ILE 66 CO -0.02 0.14 -0.23 0.00 0.00 0.00 0.00 178.15 178.05 1fbx h ALA 67 N 1.86 -0.02 0.01 1.87 0.00 -0.90 -2.90 119.26 119.16 1fbx h ALA 67 Ca -0.00 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.37 1fbx h ALA 67 Cb 0.58 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1fbx h ALA 67 CO 0.02 0.10 -0.08 -0.22 0.00 0.00 0.00 179.25 179.07 1fbx h LYS 68 N -0.81 -0.14 -0.30 0.00 3.64 -0.89 -2.64 116.57 115.43 1fbx h LYS 68 Ca -0.04 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1fbx h LYS 68 Cb 1.17 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 1fbx h LYS 68 CO 0.04 -0.09 -0.27 1.98 -2.27 0.00 0.00 179.45 178.84 1fbx h MET 69 N -0.15 -0.24 -0.61 1.90 4.05 -1.31 0.50 114.93 119.07 1fbx h MET 69 Ca 0.03 0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.58 1fbx h MET 69 Cb 0.18 0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 30.95 1fbx h MET 69 CO -0.08 -0.16 0.15 1.88 0.23 0.00 0.00 176.91 178.93 1fbx h TYR 70 N -0.25 0.25 0.00 1.39 -1.99 -1.31 -1.09 116.97 113.97 1fbx h TYR 70 Ca 0.15 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.85 1fbx h TYR 70 Cb 0.50 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 1fbx h TYR 70 CO -0.45 -0.01 -0.41 0.28 -0.00 0.00 0.00 178.16 177.58 1fbx h VAL 71 N 0.29 1.07 -0.00 -2.88 2.07 -0.96 -2.89 116.25 112.95 1fbx h VAL 71 Ca 0.32 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.90 1fbx h VAL 71 Cb 0.47 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1fbx h VAL 71 CO -0.39 0.36 -0.24 0.47 0.02 0.00 0.00 177.57 177.80 1fbx n ASP 72 N -4.59 0.33 0.00 0.57 9.92 0.17 -3.90 116.55 119.05 1fbx n ASP 72 Ca -0.14 -0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.05 1fbx n ASP 72 Cb 0.43 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 1fbx n ASP 72 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1fbx n GLU 73 N -1.36 0.00 0.00 -1.24 1.02 -0.48 -4.75 120.64 113.83 1fbx n GLU 73 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1fbx n GLU 73 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.75 1fbx n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1fbx n ILE 74 N 0.00 1.25 -0.44 -3.67 -5.35 -0.79 -1.02 119.36 109.34 1fbx n ILE 74 Ca 0.00 0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.90 1fbx n ILE 74 Cb 0.00 -1.42 0.00 0.00 -1.74 0.00 0.00 39.64 36.48 1fbx n ILE 74 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1fbx n PHE 75 N -1.29 0.00 0.07 4.28 3.72 -1.09 -3.26 117.46 119.89 1fbx n PHE 75 Ca 0.00 -0.31 0.02 0.00 -0.05 0.00 0.00 57.45 57.11 1fbx n PHE 75 Cb 0.11 -0.03 0.09 0.00 -0.94 0.00 0.00 39.48 38.71 1fbx n PHE 75 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1fbx n SER 76 N -0.32 0.06 -0.03 4.37 3.41 -0.19 -1.32 113.62 119.61 1fbx n SER 76 Ca 0.00 0.53 0.08 0.00 -0.26 0.00 0.00 58.87 59.22 1fbx n SER 76 Cb 0.36 -0.54 0.47 0.00 -0.26 0.00 0.00 64.21 64.25 1fbx n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fbx n GLY 77 N -1.31 -0.94 0.00 5.00 0.00 -0.20 -2.48 105.19 105.26 1fbx n GLY 77 Ca 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1fbx n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fbx n LEU 78 N -0.70 0.46 -4.06 0.99 4.77 -0.44 -4.69 117.00 113.33 1fbx n LEU 78 Ca 0.12 0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.82 1fbx n LEU 78 Cb 0.07 -0.27 -0.14 0.00 -2.33 0.00 0.00 43.42 40.74 1fbx n LEU 78 CO 0.09 0.11 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.31 1fbx s ASP 79 N -3.00 4.80 0.00 -1.43 2.15 -1.03 -4.95 116.67 113.20 1fbx s ASP 79 Ca 0.11 -1.90 0.00 0.00 0.43 0.00 0.00 52.55 51.19 1fbx s ASP 79 Cb 0.18 -1.65 0.00 0.00 -0.30 0.00 0.00 42.92 41.14 1fbx s ASP 79 CO 0.68 -0.36 0.54 -1.22 -0.17 0.00 0.00 175.17 174.65 1fbx n TYR 80 N 4.38 0.00 0.30 -5.34 4.02 -1.26 0.42 117.16 119.67 1fbx n TYR 80 Ca -0.02 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.03 1fbx n TYR 80 Cb 0.42 -0.14 0.65 0.00 -0.02 0.00 0.00 39.34 40.25 1fbx n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fbx h ALA 81 N 1.26 1.00 -0.39 -0.72 0.00 -1.91 -2.82 119.26 115.68 1fbx h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fbx h ALA 81 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1fbx h ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1fbx n ASN 82 N -2.97 3.01 -4.60 0.00 3.02 0.17 -4.98 115.26 108.91 1fbx n ASN 82 Ca 0.01 -1.94 -0.37 0.00 -0.03 0.00 0.00 54.58 52.25 1fbx n ASN 82 Cb 0.30 -0.25 0.06 0.00 -0.61 0.00 0.00 39.78 39.27 1fbx n ASN 82 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1fbx n PHE 83 N 1.19 0.59 -2.03 3.10 7.35 -1.07 -4.95 117.46 121.64 1fbx n PHE 83 Ca 0.19 0.43 -0.32 0.00 -0.76 0.00 0.00 57.45 56.99 1fbx n PHE 83 Cb 0.52 -2.10 -0.00 0.00 0.35 0.00 0.00 39.48 38.25 1fbx n PHE 83 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1fbx s PRO 84 N -2.77 3.60 0.07 -7.13 0.04 -1.26 -5.01 135.00 122.54 1fbx s PRO 84 Ca 0.75 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1fbx s PRO 84 Cb -0.41 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 1fbx s PRO 84 CO 0.48 -0.56 0.99 0.15 0.04 0.00 0.00 177.00 178.10 1fbx s LYS 85 N -4.65 4.62 -0.16 4.56 1.02 -1.26 -4.94 119.74 118.92 1fbx s LYS 85 Ca 0.58 1.48 -0.06 0.00 0.02 0.00 0.00 55.97 57.99 1fbx s LYS 85 Cb -0.12 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1fbx s LYS 85 CO 0.44 0.07 0.02 0.42 -0.92 0.00 0.00 175.35 175.39 1fbx s ILE 86 N 0.44 4.46 -0.09 2.17 -1.09 -1.26 -4.97 121.20 120.85 1fbx s ILE 86 Ca 0.50 -0.16 0.03 0.00 -2.23 0.00 0.00 60.65 58.79 1fbx s ILE 86 Cb -0.23 -2.98 -0.01 0.00 -1.58 0.00 0.00 42.46 37.65 1fbx s ILE 86 CO 0.29 0.49 -0.18 0.42 -1.23 0.00 0.00 174.94 174.73 1fbx s THR 87 N 0.24 2.67 0.04 2.92 -4.23 -1.26 -5.10 115.64 110.91 1fbx s THR 87 Ca 0.02 -0.83 0.06 0.00 -1.18 0.00 0.00 61.69 59.76 1fbx s THR 87 Cb -0.13 -2.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 1fbx s THR 87 CO 0.01 0.56 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.72 1fbx s LEU 88 N -0.01 2.17 0.04 4.79 1.43 -1.26 -2.75 118.68 123.09 1fbx s LEU 88 Ca -0.05 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.61 1fbx s LEU 88 Cb -0.15 -0.74 -0.02 0.00 0.03 0.00 0.00 46.19 45.31 1fbx s LEU 88 CO 0.05 0.08 -0.14 0.27 0.23 0.00 0.00 176.35 176.83 1fbx s ILE 89 N -0.84 1.12 0.13 -0.59 -4.36 -0.32 -4.96 121.20 111.38 1fbx s ILE 89 Ca 0.04 -1.03 -0.35 0.00 -0.26 0.00 0.00 60.65 59.05 1fbx s ILE 89 Cb -0.08 -1.02 -0.15 0.00 1.25 0.00 0.00 42.46 42.46 1fbx s ILE 89 CO 0.02 -0.01 1.50 1.21 0.24 0.00 0.00 174.94 177.90 1fbx n GLU 90 N 1.85 1.81 -0.80 0.37 2.13 -1.26 -0.57 120.64 124.17 1fbx n GLU 90 Ca -0.18 0.65 -0.23 0.00 0.66 0.00 0.00 57.16 58.06 1fbx n GLU 90 Cb 0.55 -2.38 -0.02 0.00 0.27 0.00 0.00 31.44 29.85 1fbx n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1fbx n ASN 91 N 3.13 5.33 -0.19 4.31 5.15 -0.04 -4.52 115.26 128.44 1fbx n ASN 91 Ca 0.17 -2.34 -0.07 0.00 -0.60 0.00 0.00 54.58 51.74 1fbx n ASN 91 Cb 0.25 -1.14 0.07 0.00 -0.53 0.00 0.00 39.78 38.43 1fbx n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1fbx h LYS 92 N 6.02 1.01 0.00 1.20 1.57 -1.88 -0.53 116.57 123.96 1fbx h LYS 92 Ca 0.52 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1fbx h LYS 92 Cb 0.22 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1fbx h LYS 92 CO 1.42 0.98 0.00 -1.33 -0.57 0.00 0.00 179.45 179.95 1fbx n MET 93 N -4.19 0.05 -4.04 3.15 2.81 -1.26 -4.79 117.12 108.84 1fbx n MET 93 Ca 0.03 0.26 -0.32 0.00 -1.81 0.00 0.00 57.70 55.87 1fbx n MET 93 Cb 0.33 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.33 1fbx n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1fbx n LYS 94 N -1.30 -4.18 -1.80 0.03 5.02 -0.21 -4.83 118.16 110.89 1fbx n LYS 94 Ca 0.02 0.48 -0.43 0.00 -2.02 0.00 0.00 58.31 56.35 1fbx n LYS 94 Cb 0.03 -5.17 -0.03 0.00 -0.02 0.00 0.00 35.03 29.84 1fbx n LYS 94 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fbx s VAL 95 N -3.41 3.25 -0.62 -0.18 1.01 -1.26 -4.87 120.40 114.32 1fbx s VAL 95 Ca 0.57 0.26 0.11 0.00 0.00 0.00 0.00 61.98 62.92 1fbx s VAL 95 Cb -0.30 -3.30 0.31 0.00 0.00 0.00 0.00 36.38 33.09 1fbx s VAL 95 CO 0.88 -0.17 1.25 -0.90 0.00 0.00 0.00 175.10 176.16 1fbx n ASP 96 N 10.42 2.98 -4.78 3.32 5.75 -1.26 -4.35 116.55 128.62 1fbx n ASP 96 Ca 0.25 -2.24 -0.23 0.00 -0.01 0.00 0.00 54.79 52.56 1fbx n ASP 96 Cb 0.45 -0.27 -0.06 0.00 -1.03 0.00 0.00 41.12 40.21 1fbx n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1fbx s GLU 97 N -1.44 2.39 0.53 0.11 0.41 -1.26 -4.94 118.70 114.50 1fbx s GLU 97 Ca 0.24 -1.62 -0.19 0.00 -0.41 0.00 0.00 54.97 53.00 1fbx s GLU 97 Cb 0.15 -2.18 -0.06 0.00 -1.78 0.00 0.00 34.13 30.26 1fbx s GLU 97 CO 0.12 -0.03 1.05 0.00 -0.49 0.00 0.00 175.26 175.91 1fbx s MET 98 N -3.94 3.58 -0.19 1.61 0.23 -1.26 -4.46 119.30 114.87 1fbx s MET 98 Ca 0.41 1.33 -0.02 0.00 -1.03 0.00 0.00 55.69 56.38 1fbx s MET 98 Cb -0.01 -2.06 -0.01 0.00 -1.53 0.00 0.00 34.83 31.22 1fbx s MET 98 CO 0.24 -0.61 -0.09 0.08 -2.03 0.00 0.00 175.02 172.61 1fbx s VAL 99 N -2.13 3.12 -0.11 5.16 1.01 0.77 -4.93 120.40 123.29 1fbx s VAL 99 Ca 0.67 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1fbx s VAL 99 Cb -0.17 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1fbx s VAL 99 CO 0.27 0.47 -0.11 -0.89 0.00 0.00 0.00 175.10 174.83 1fbx s THR 100 N 1.11 3.26 -0.24 3.92 2.01 -1.26 -1.91 115.64 122.54 1fbx s THR 100 Ca 0.01 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 1fbx s THR 100 Cb -0.15 -2.36 0.03 0.00 0.01 0.00 0.00 72.50 70.04 1fbx s THR 100 CO -0.02 0.54 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.67 1fbx s VAL 101 N 0.01 2.66 0.26 3.82 1.01 0.85 -5.00 120.40 124.01 1fbx s VAL 101 Ca -0.03 -1.09 0.09 0.00 0.00 0.00 0.00 61.98 60.95 1fbx s VAL 101 Cb -0.14 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1fbx s VAL 101 CO 0.04 0.22 0.07 0.00 0.00 0.00 0.00 175.10 175.44 1fbx s ARG 102 N 1.29 2.53 -1.46 2.72 1.70 -1.26 -1.38 118.95 123.08 1fbx s ARG 102 Ca -0.00 -1.28 -0.08 0.00 -0.47 0.00 0.00 55.73 53.89 1fbx s ARG 102 Cb -0.16 -2.31 0.03 0.00 -0.57 0.00 0.00 34.95 31.93 1fbx s ARG 102 CO -0.06 0.37 0.83 -0.25 -1.08 0.00 0.00 175.30 175.12 1fbx n ASP 103 N -1.01 -5.72 -4.70 -2.89 8.00 -1.02 -4.94 116.55 104.27 1fbx n ASP 103 Ca -0.07 -0.45 -0.42 0.00 0.71 0.00 0.00 54.79 54.56 1fbx n ASP 103 Cb 0.59 -4.58 -0.03 0.00 -0.02 0.00 0.00 41.12 37.08 1fbx n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1fbx s ILE 104 N -3.21 3.01 0.08 0.53 1.01 -0.17 -4.78 121.20 117.67 1fbx s ILE 104 Ca 0.46 0.60 -0.31 0.00 0.00 0.00 0.00 60.65 61.40 1fbx s ILE 104 Cb -0.21 -3.39 -0.08 0.00 0.01 0.00 0.00 42.46 38.79 1fbx s ILE 104 CO 0.57 0.02 1.53 -0.89 0.00 0.00 0.00 174.94 176.17 1fbx s THR 105 N 1.89 3.14 -0.09 2.92 2.01 -1.26 -1.11 115.64 123.14 1fbx s THR 105 Ca 0.70 0.69 -0.02 0.00 0.31 0.00 0.00 61.69 63.37 1fbx s THR 105 Cb -0.40 -3.44 0.04 0.00 0.01 0.00 0.00 72.50 68.71 1fbx s THR 105 CO 0.31 0.02 0.03 -0.22 -0.69 0.00 0.00 174.62 174.07 1fbx s LEU 106 N 1.98 0.55 -0.13 4.42 0.20 -1.00 -4.81 118.68 119.90 1fbx s LEU 106 Ca 0.69 -0.21 0.03 0.00 0.69 0.00 0.00 54.13 55.33 1fbx s LEU 106 Cb -0.38 -0.38 0.01 0.00 -0.43 0.00 0.00 46.19 45.01 1fbx s LEU 106 CO 0.30 -0.24 -0.22 0.42 -0.29 0.00 0.00 176.35 176.33 1fbx s THR 107 N 2.02 2.02 0.00 3.68 -4.23 -1.26 -0.05 115.64 117.81 1fbx s THR 107 Ca 0.04 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 1fbx s THR 107 Cb -0.13 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1fbx s THR 107 CO -0.06 0.54 0.00 -0.24 -0.54 0.00 0.00 174.62 174.33 1fbx n SER 108 N 3.96 0.37 -3.83 3.99 2.88 0.71 -4.52 113.62 117.18 1fbx n SER 108 Ca -0.20 -0.27 -0.13 0.00 -1.33 0.00 0.00 58.87 56.95 1fbx n SER 108 Cb 0.52 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.84 1fbx n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1fbx s THR 109 N -0.94 -0.01 -0.06 2.46 2.01 -1.26 -1.45 115.64 116.39 1fbx s THR 109 Ca 0.00 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 1fbx s THR 109 Cb 0.00 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.36 1fbx s THR 109 CO 0.00 0.01 0.96 0.00 -0.69 0.00 0.00 174.62 174.90 1fbx h GLU 111 N 6.95 0.00 0.00 0.00 4.11 -1.32 1.00 114.58 125.32 1fbx h GLU 111 Ca -0.36 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.04 1fbx h GLU 111 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1fbx h GLU 111 CO 0.80 0.17 -0.13 0.45 0.07 0.00 0.00 179.01 180.37 1fbx h HIS 112 N 0.00 0.00 0.00 2.06 3.86 -1.91 -3.35 115.15 115.81 1fbx h HIS 112 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1fbx h HIS 112 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1fbx h HIS 112 CO 0.00 0.13 0.00 0.72 0.86 0.00 0.00 177.93 179.64 1fbx n HIS 113 N -4.25 0.00 -1.37 2.45 8.25 -1.03 -5.00 115.22 114.27 1fbx n HIS 113 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 1fbx n HIS 113 Cb 0.20 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.26 1fbx n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1fbx n PHE 114 N 0.00 0.00 -3.29 4.41 3.01 0.34 -4.98 117.46 116.95 1fbx n PHE 114 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.19 1fbx n PHE 114 Cb 0.14 -2.34 -0.02 0.00 -0.01 0.00 0.00 39.48 37.25 1fbx n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1fbx s VAL 115 N -2.43 5.05 0.37 -4.37 1.01 -1.25 -4.77 120.40 114.00 1fbx s VAL 115 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.59 1fbx s VAL 115 Cb 0.00 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 1fbx s VAL 115 CO 0.00 -0.45 1.37 0.41 0.00 0.00 0.00 175.10 176.43 1fbx n THR 116 N -1.34 2.08 -4.10 3.92 -1.04 -1.26 -0.86 114.28 111.67 1fbx n THR 116 Ca -0.03 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.19 1fbx n THR 116 Cb 0.55 -1.75 -0.17 0.00 -1.82 0.00 0.00 70.33 67.15 1fbx n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1fbx s ILE 117 N -1.12 1.47 -0.30 12.58 1.01 -0.53 -1.09 121.20 133.23 1fbx s ILE 117 Ca 0.55 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.65 1fbx s ILE 117 Cb -0.52 -1.39 0.08 0.00 0.01 0.00 0.00 42.46 40.65 1fbx s ILE 117 CO 0.62 0.44 -0.00 -0.62 0.00 0.00 0.00 174.94 175.38 1fbx s ASP 118 N 1.41 4.45 0.00 3.58 2.15 -0.47 -0.21 116.67 127.58 1fbx s ASP 118 Ca 0.02 -1.75 0.00 0.00 0.43 0.00 0.00 52.55 51.26 1fbx s ASP 118 Cb -0.13 -1.45 0.00 0.00 -0.30 0.00 0.00 42.92 41.04 1fbx s ASP 118 CO -0.08 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 1fbx n GLY 119 N 4.43 6.48 2.92 2.66 0.00 0.92 -2.09 105.19 120.51 1fbx n GLY 119 Ca -0.04 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 1fbx n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fbx s LYS 120 N 0.84 0.07 0.14 1.61 3.01 0.11 -2.37 119.74 123.14 1fbx s LYS 120 Ca 0.00 0.16 0.10 0.00 -1.01 0.00 0.00 55.97 55.23 1fbx s LYS 120 Cb 0.00 -0.04 -0.04 0.00 -1.01 0.00 0.00 37.83 36.74 1fbx s LYS 120 CO 0.00 -0.06 -0.22 0.00 0.51 0.00 0.00 175.35 175.57 1fbx s ALA 121 N 0.41 2.54 -0.13 5.17 0.00 -0.27 -0.54 121.76 128.94 1fbx s ALA 121 Ca -0.03 -1.46 -0.01 0.00 0.00 0.00 0.00 51.96 50.46 1fbx s ALA 121 Cb -0.04 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1fbx s ALA 121 CO -0.02 0.54 -0.06 0.99 0.00 0.00 0.00 175.76 177.21 1fbx s THR 122 N -1.23 0.99 -0.04 0.00 2.01 0.13 -1.00 115.64 116.50 1fbx s THR 122 Ca 0.17 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.88 1fbx s THR 122 Cb -0.10 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 1fbx s THR 122 CO 0.09 0.28 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.37 1fbx s VAL 123 N 1.71 2.23 -0.01 3.82 1.01 -0.48 -0.84 120.40 127.84 1fbx s VAL 123 Ca 0.04 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 1fbx s VAL 123 Cb -0.13 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1fbx s VAL 123 CO -0.08 0.58 0.09 0.00 0.00 0.00 0.00 175.10 175.68 1fbx s ALA 124 N -0.42 -0.20 0.13 5.51 0.00 -0.62 -0.11 121.76 126.06 1fbx s ALA 124 Ca 0.04 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 1fbx s ALA 124 Cb -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 1fbx s ALA 124 CO 0.01 -0.13 0.27 1.52 0.00 0.00 0.00 175.76 177.43 1fbx s TYR 125 N -0.81 0.24 -0.26 0.00 1.13 -0.80 0.18 117.35 117.02 1fbx s TYR 125 Ca -0.09 -0.63 0.00 0.00 -1.41 0.00 0.00 57.07 54.94 1fbx s TYR 125 Cb -0.05 -0.02 0.04 0.00 -1.10 0.00 0.00 41.96 40.83 1fbx s TYR 125 CO 0.00 -0.66 -0.07 0.42 -2.51 0.00 0.00 175.55 172.73 1fbx s ILE 126 N -3.91 2.62 0.30 -3.49 1.01 -0.96 -0.16 121.20 116.60 1fbx s ILE 126 Ca 0.11 -1.34 -0.30 0.00 0.00 0.00 0.00 60.65 59.13 1fbx s ILE 126 Cb 0.04 -2.44 -0.12 0.00 0.01 0.00 0.00 42.46 39.95 1fbx s ILE 126 CO -0.05 0.05 1.51 -2.65 0.00 0.00 0.00 174.94 173.80 1fbx n PRO 127 N 4.57 2.50 0.00 2.79 -0.02 -1.26 -4.82 135.00 138.76 1fbx n PRO 127 Ca -0.15 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1fbx n PRO 127 Cb 0.44 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1fbx n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1fbx n LYS 128 N 1.74 0.00 0.02 -0.52 4.81 -1.26 -4.78 118.16 118.16 1fbx n LYS 128 Ca 0.08 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.57 1fbx n LYS 128 Cb 0.36 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.30 1fbx n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1fbx n ASP 129 N 0.00 0.43 -4.31 3.14 8.00 -1.26 -4.79 116.55 117.76 1fbx n ASP 129 Ca 0.00 0.18 -0.22 0.00 0.71 0.00 0.00 54.79 55.46 1fbx n ASP 129 Cb 0.00 1.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.98 1fbx n ASP 129 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1fbx s SER 130 N -5.19 2.58 -0.10 -2.24 0.01 -1.26 -0.86 113.70 106.63 1fbx s SER 130 Ca -0.05 -0.81 0.03 0.00 1.31 0.00 0.00 55.95 56.43 1fbx s SER 130 Cb 0.10 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 1fbx s SER 130 CO 0.84 -0.02 -0.22 -0.69 0.41 0.00 0.00 173.24 173.57 1fbx s VAL 131 N -1.83 2.31 0.12 3.43 1.01 0.26 -4.69 120.40 121.00 1fbx s VAL 131 Ca 0.13 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1fbx s VAL 131 Cb -0.07 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1fbx s VAL 131 CO 0.06 0.56 0.24 -0.51 0.00 0.00 0.00 175.10 175.45 1fbx s ILE 132 N 0.22 5.27 -0.07 2.22 2.07 -1.26 -1.18 121.20 128.48 1fbx s ILE 132 Ca -0.14 -0.61 -0.29 0.00 -1.41 0.00 0.00 60.65 58.19 1fbx s ILE 132 Cb -0.17 -3.66 -0.06 0.00 0.13 0.00 0.00 42.46 38.70 1fbx s ILE 132 CO 0.07 -0.01 1.86 -0.83 -1.91 0.00 0.00 174.94 174.12 1fbx s GLY 133 N -2.96 1.30 0.27 1.50 0.00 -1.11 -4.89 107.32 101.42 1fbx s GLY 133 Ca 0.34 1.00 -0.11 0.00 0.00 0.00 0.00 44.72 45.95 1fbx s GLY 133 CO 0.28 3.33 1.56 1.41 0.00 0.00 0.00 173.10 179.68 1fbx h LEU 134 N 11.36 -1.06 -2.23 0.66 3.38 -1.96 0.41 115.31 125.87 1fbx h LEU 134 Ca -0.43 0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1fbx h LEU 134 Cb 1.21 0.65 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1fbx h LEU 134 CO 0.96 -0.32 0.22 0.77 0.09 0.00 0.00 178.44 180.16 1fbx h SER 135 N -0.00 0.00 0.50 -0.43 4.64 -2.01 -1.29 113.55 114.95 1fbx h SER 135 Ca 0.44 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.68 1fbx h SER 135 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1fbx h SER 135 CO -1.01 0.00 -0.41 0.11 -0.87 0.00 0.00 176.83 174.65 1fbx h LYS 136 N 0.00 0.00 -0.46 4.77 1.79 -0.54 -1.25 116.57 120.88 1fbx h LYS 136 Ca 0.08 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.47 1fbx h LYS 136 Cb 0.52 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 1fbx h LYS 136 CO -0.00 0.41 -0.05 0.82 -1.08 0.00 0.00 179.45 179.55 1fbx h ILE 137 N 0.00 1.27 0.75 1.86 2.04 -1.29 0.60 117.51 122.74 1fbx h ILE 137 Ca -0.00 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 1fbx h ILE 137 Cb 0.77 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1fbx h ILE 137 CO 0.05 0.39 -0.47 0.78 0.00 0.00 0.00 178.15 178.90 1fbx h ASN 138 N 0.69 -1.20 -0.50 1.72 2.35 -1.49 -2.22 115.58 114.93 1fbx h ASN 138 Ca 0.12 0.07 0.10 0.00 -0.55 0.00 0.00 56.30 56.04 1fbx h ASN 138 Cb 0.57 0.35 -0.10 0.00 0.05 0.00 0.00 38.32 39.19 1fbx h ASN 138 CO 0.03 -0.72 -0.15 0.03 -1.65 0.00 0.00 177.43 174.97 1fbx h ARG 139 N -1.16 -0.03 -0.76 0.81 3.08 -1.14 0.38 114.38 115.57 1fbx h ARG 139 Ca -0.10 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.03 1fbx h ARG 139 Cb 0.93 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.94 1fbx h ARG 139 CO 0.09 -0.02 0.50 0.82 -1.07 0.00 0.00 179.97 180.30 1fbx h ILE 140 N -0.03 0.99 0.21 2.04 2.04 -0.81 -1.25 117.51 120.71 1fbx h ILE 140 Ca 0.24 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1fbx h ILE 140 Cb 0.40 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1fbx h ILE 140 CO -0.53 0.14 -0.10 0.58 0.00 0.00 0.00 178.15 178.23 1fbx h VAL 141 N 0.76 0.87 0.00 1.67 2.07 -0.32 -2.98 116.25 118.33 1fbx h VAL 141 Ca 0.34 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1fbx h VAL 141 Cb 0.33 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1fbx h VAL 141 CO -0.12 0.14 -0.04 1.56 0.02 0.00 0.00 177.57 179.13 1fbx h GLN 142 N -0.63 0.00 0.72 1.57 1.08 -1.02 -2.41 115.11 114.42 1fbx h GLN 142 Ca -0.03 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 1fbx h GLN 142 Cb 0.45 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1fbx h GLN 142 CO 0.05 0.04 -0.35 0.35 -0.95 0.00 0.00 178.83 177.97 1fbx h PHE 143 N 0.00 -0.90 0.00 2.96 3.57 -1.07 -2.36 116.94 119.14 1fbx h PHE 143 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1fbx h PHE 143 Cb 0.21 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1fbx h PHE 143 CO 0.00 -0.54 0.00 1.19 -2.23 0.00 0.00 178.31 176.73 1fbx n PHE 144 N -5.48 0.33 0.35 0.41 3.72 -1.15 -2.06 117.46 113.58 1fbx n PHE 144 Ca -0.14 0.12 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 1fbx n PHE 144 Cb 0.40 -0.70 0.21 0.00 -0.94 0.00 0.00 39.48 38.45 1fbx n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fbx h ALA 145 N 2.47 0.89 -0.86 4.37 0.00 -1.00 -3.34 119.26 121.80 1fbx h ALA 145 Ca 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.15 1fbx h ALA 145 Cb 0.34 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.97 1fbx h ALA 145 CO 0.00 0.00 2.01 1.04 0.00 0.00 0.00 179.25 182.30 1fbx n GLN 146 N -2.73 4.67 -3.59 0.00 1.13 -0.87 -4.07 117.38 111.92 1fbx n GLN 146 Ca 0.04 -3.77 -0.16 0.00 -1.94 0.00 0.00 57.00 51.16 1fbx n GLN 146 Cb 0.50 -2.63 -0.07 0.00 0.11 0.00 0.00 30.24 28.15 1fbx n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1fbx s ARG 147 N -1.73 0.93 -0.01 -1.09 0.52 -1.20 -1.04 118.95 115.33 1fbx s ARG 147 Ca 0.48 0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 55.67 1fbx s ARG 147 Cb 0.17 0.44 -0.07 0.00 0.52 0.00 0.00 34.95 36.01 1fbx s ARG 147 CO -0.08 -0.26 1.70 -2.14 0.02 0.00 0.00 175.30 174.54 1fbx s PRO 148 N -0.95 4.18 0.39 3.54 0.02 -1.26 -4.22 135.00 136.70 1fbx s PRO 148 Ca -0.10 2.29 0.06 0.00 0.02 0.00 0.00 61.00 63.27 1fbx s PRO 148 Cb -0.02 -3.93 -0.08 0.00 0.02 0.00 0.00 34.50 30.50 1fbx s PRO 148 CO 0.07 -0.84 0.02 -0.65 -0.33 0.00 0.00 177.00 175.28 1fbx s GLN 149 N 3.79 1.90 -0.09 5.54 -1.52 0.24 -4.67 119.66 124.86 1fbx s GLN 149 Ca 0.76 -2.08 0.01 0.00 -1.95 0.00 0.00 55.36 52.10 1fbx s GLN 149 Cb -0.36 -1.49 0.02 0.00 -0.22 0.00 0.00 33.01 30.96 1fbx s GLN 149 CO 0.32 -0.08 -0.11 0.08 -0.25 0.00 0.00 175.29 175.26 1fbx s VAL 150 N -2.82 1.14 0.26 1.09 1.01 -1.26 -0.97 120.40 118.85 1fbx s VAL 150 Ca 0.35 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1fbx s VAL 150 Cb 0.10 -1.09 0.23 0.00 0.00 0.00 0.00 36.38 35.62 1fbx s VAL 150 CO 0.17 0.37 1.74 -0.61 0.00 0.00 0.00 175.10 176.78 1fbx h GLN 151 N 7.59 0.49 -0.38 2.72 4.15 -2.00 0.06 115.11 127.74 1fbx h GLN 151 Ca -0.31 -0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.19 1fbx h GLN 151 Cb 1.16 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.72 1fbx h GLN 151 CO 0.45 0.33 0.40 0.93 -1.93 0.00 0.00 178.83 179.01 1fbx h GLU 152 N 0.51 0.00 0.08 1.69 3.07 -2.00 -2.56 114.58 115.37 1fbx h GLU 152 Ca 0.44 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.95 1fbx h GLU 152 Cb 0.67 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.55 1fbx h GLU 152 CO -0.40 0.00 -1.99 -2.13 -1.40 0.00 0.00 179.01 173.09 1fbx n ARG 153 N -3.77 0.71 -0.20 2.33 0.63 -0.03 -3.74 116.66 112.59 1fbx n ARG 153 Ca 0.07 0.29 0.10 0.00 -0.92 0.00 0.00 57.85 57.38 1fbx n ARG 153 Cb 0.57 -1.68 0.39 0.00 0.45 0.00 0.00 32.46 32.20 1fbx n ARG 153 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1fbx h LEU 154 N -0.13 0.60 -0.47 6.15 5.85 -1.16 -0.51 115.31 125.65 1fbx h LEU 154 Ca -0.45 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.19 1fbx h LEU 154 Cb 1.90 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 1fbx h LEU 154 CO -0.00 0.36 -0.10 0.74 -0.34 0.00 0.00 178.44 179.09 1fbx h THR 155 N 0.67 1.27 -0.40 1.05 2.02 -1.62 -2.70 112.91 113.20 1fbx h THR 155 Ca 0.36 -1.22 -0.15 0.00 0.77 0.00 0.00 66.41 66.16 1fbx h THR 155 Cb 0.49 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1fbx h THR 155 CO -0.13 0.42 -0.35 1.56 0.37 0.00 0.00 175.52 177.38 1fbx h GLN 156 N 0.74 0.95 0.32 6.66 1.08 -1.38 -3.12 115.11 120.36 1fbx h GLN 156 Ca 0.12 -0.48 -0.02 0.00 -1.45 0.00 0.00 58.65 56.82 1fbx h GLN 156 Cb 0.65 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1fbx h GLN 156 CO 0.04 1.14 -0.16 1.96 -0.95 0.00 0.00 178.83 180.87 1fbx h GLN 157 N 0.78 -0.42 -0.69 1.46 4.20 -1.09 -2.17 115.11 117.19 1fbx h GLN 157 Ca 0.07 0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.95 1fbx h GLN 157 Cb 0.95 0.10 -0.11 0.00 0.30 0.00 0.00 27.48 28.72 1fbx h GLN 157 CO 0.09 -0.24 0.11 0.82 -0.67 0.00 0.00 178.83 178.94 1fbx h ILE 158 N -0.49 0.51 0.49 2.54 2.04 -1.55 0.19 117.51 121.23 1fbx h ILE 158 Ca -0.04 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1fbx h ILE 158 Cb 0.37 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1fbx h ILE 158 CO 0.07 0.04 -0.34 0.25 0.00 0.00 0.00 178.15 178.17 1fbx h LEU 159 N 0.21 -0.88 -0.39 1.44 5.85 -1.43 -0.12 115.31 119.99 1fbx h LEU 159 Ca 0.38 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.17 1fbx h LEU 159 Cb 0.63 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1fbx h LEU 159 CO -0.51 -0.52 0.23 0.40 -0.34 0.00 0.00 178.44 177.69 1fbx h ILE 160 N -0.81 1.03 -0.54 4.05 1.08 -1.06 0.56 117.51 121.83 1fbx h ILE 160 Ca -0.05 -0.16 0.09 0.00 -0.39 0.00 0.00 64.86 64.35 1fbx h ILE 160 Cb 0.68 0.54 -0.07 0.00 -3.07 0.00 0.00 36.82 34.89 1fbx h ILE 160 CO 0.03 0.08 0.16 0.00 -0.69 0.00 0.00 178.15 177.73 1fbx h ALA 161 N 1.18 0.64 -0.18 1.87 0.00 -0.40 0.40 119.26 122.77 1fbx h ALA 161 Ca 0.16 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1fbx h ALA 161 Cb 0.01 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1fbx h ALA 161 CO -0.08 -0.25 -0.10 -0.07 0.00 0.00 0.00 179.25 178.75 1fbx h LEU 162 N 0.31 0.39 -1.04 0.00 3.38 -0.56 -1.62 115.31 116.17 1fbx h LEU 162 Ca 0.27 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.89 1fbx h LEU 162 Cb 0.34 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1fbx h LEU 162 CO -0.31 0.73 0.64 1.56 0.09 0.00 0.00 178.44 181.15 1fbx h GLN 163 N 0.06 1.10 -0.63 1.13 4.20 -0.57 0.21 115.11 120.61 1fbx h GLN 163 Ca 0.04 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 1fbx h GLN 163 Cb 0.58 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1fbx h GLN 163 CO 0.03 0.73 0.03 1.15 -0.67 0.00 0.00 178.83 180.10 1fbx h THR 164 N 1.13 1.27 0.00 -0.54 2.02 -0.73 -1.39 112.91 114.67 1fbx h THR 164 Ca 0.43 -1.12 -0.21 0.00 0.77 0.00 0.00 66.41 66.27 1fbx h THR 164 Cb 0.19 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1fbx h THR 164 CO -0.17 0.41 -1.11 -0.07 0.37 0.00 0.00 175.52 174.96 1fbx h LEU 165 N 1.00 0.00 -0.56 2.58 3.38 -0.43 -3.32 115.31 117.97 1fbx h LEU 165 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1fbx h LEU 165 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1fbx h LEU 165 CO 0.03 0.92 -0.26 0.18 0.09 0.00 0.00 178.44 179.39 1fbx n LEU 166 N -3.25 1.13 -3.69 1.67 4.77 0.66 -4.96 117.00 113.34 1fbx n LEU 166 Ca -0.04 -0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 55.39 1fbx n LEU 166 Cb 0.93 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.97 1fbx n LEU 166 CO 0.46 0.21 0.09 0.61 -1.33 0.00 0.00 177.39 177.43 1fbx n GLY 167 N 1.34 -0.42 3.39 -0.72 0.00 -0.54 -4.65 105.19 103.59 1fbx n GLY 167 Ca 0.12 0.17 -0.16 0.00 0.00 0.00 0.00 46.02 46.16 1fbx n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fbx s THR 168 N -3.42 0.03 -0.16 2.61 2.01 -1.12 -4.80 115.64 110.78 1fbx s THR 168 Ca 0.33 -0.21 0.20 0.00 0.31 0.00 0.00 61.69 62.32 1fbx s THR 168 Cb -0.16 -0.82 -0.11 0.00 0.01 0.00 0.00 72.50 71.42 1fbx s THR 168 CO 0.78 -0.11 0.84 0.59 -0.69 0.00 0.00 174.62 176.03 1fbx n ASN 169 N 1.15 0.72 -4.58 3.53 3.02 -1.26 -4.28 115.26 113.57 1fbx n ASN 169 Ca -0.20 0.30 -0.29 0.00 -0.03 0.00 0.00 54.58 54.36 1fbx n ASN 169 Cb 0.57 0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 40.20 1fbx n ASN 169 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1fbx s ASN 170 N -5.46 5.19 0.02 6.41 0.01 -1.26 -2.05 114.94 117.80 1fbx s ASN 170 Ca -0.03 -1.59 -0.01 0.00 -0.71 0.00 0.00 52.86 50.52 1fbx s ASN 170 Cb 0.09 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.15 1fbx s ASN 170 CO 0.81 -2.88 0.00 -0.69 -1.51 0.00 0.00 177.10 172.83 1fbx s VAL 171 N 10.35 0.10 -0.00 1.60 1.01 -1.26 -2.26 120.40 129.94 1fbx s VAL 171 Ca 0.67 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1fbx s VAL 171 Cb -0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 36.08 1fbx s VAL 171 CO 0.11 -0.46 0.03 0.00 0.00 0.00 0.00 175.10 174.78 1fbx s ALA 172 N -1.40 -0.07 -0.03 5.51 0.00 0.13 -0.99 121.76 124.90 1fbx s ALA 172 Ca -0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 1fbx s ALA 172 Cb -0.09 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1fbx s ALA 172 CO -0.00 -0.09 0.07 0.08 0.00 0.00 0.00 175.76 175.81 1fbx s VAL 173 N -0.59 -0.02 -0.03 0.00 1.01 -0.43 -1.59 120.40 118.75 1fbx s VAL 173 Ca -0.07 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 1fbx s VAL 173 Cb -0.04 -0.11 0.03 0.00 0.00 0.00 0.00 36.38 36.26 1fbx s VAL 173 CO -0.00 0.03 0.02 -0.55 0.00 0.00 0.00 175.10 174.60 1fbx s SER 174 N 0.47 0.39 -0.06 3.32 0.15 -0.02 -0.39 113.70 117.56 1fbx s SER 174 Ca -0.04 0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.68 1fbx s SER 174 Cb -0.05 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.09 1fbx s SER 174 CO -0.02 -0.13 -0.22 -0.63 1.20 0.00 0.00 173.24 173.44 1fbx s ILE 175 N 1.21 2.32 -0.15 6.45 1.01 0.08 0.22 121.20 132.34 1fbx s ILE 175 Ca -0.07 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.60 1fbx s ILE 175 Cb -0.13 -1.87 0.03 0.00 0.01 0.00 0.00 42.46 40.50 1fbx s ILE 175 CO -0.03 0.57 -0.09 -0.62 0.00 0.00 0.00 174.94 174.78 1fbx s ASP 176 N -0.22 2.65 0.25 3.58 3.68 0.30 -1.11 116.67 125.79 1fbx s ASP 176 Ca -0.01 -0.53 -0.05 0.00 2.13 0.00 0.00 52.55 54.09 1fbx s ASP 176 Cb -0.13 -1.00 -0.02 0.00 -1.45 0.00 0.00 42.92 40.32 1fbx s ASP 176 CO 0.03 -0.13 0.32 0.00 0.13 0.00 0.00 175.17 175.53 1fbx s ALA 177 N 1.59 0.60 -0.13 3.66 0.00 -0.41 0.05 121.76 127.11 1fbx s ALA 177 Ca 0.03 -1.37 -0.00 0.00 0.00 0.00 0.00 51.96 50.61 1fbx s ALA 177 Cb -0.14 1.24 -0.02 0.00 0.00 0.00 0.00 23.12 24.20 1fbx s ALA 177 CO -0.09 -0.73 -0.12 0.08 0.00 0.00 0.00 175.76 174.90 1fbx s VAL 178 N -3.91 3.10 -0.24 0.00 1.01 -0.89 -0.86 120.40 118.61 1fbx s VAL 178 Ca 0.31 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1fbx s VAL 178 Cb 0.03 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1fbx s VAL 178 CO 0.13 0.52 0.18 -1.00 0.00 0.00 0.00 175.10 174.93 1fbx s HIS 179 N 0.38 3.31 -1.12 5.22 3.76 -1.26 -1.37 115.29 124.21 1fbx s HIS 179 Ca -0.10 0.25 0.28 0.00 -0.15 0.00 0.00 55.06 55.34 1fbx s HIS 179 Cb -0.16 -2.30 1.28 0.00 1.11 0.00 0.00 32.58 32.51 1fbx s HIS 179 CO 0.05 0.04 1.93 0.66 -0.85 0.00 0.00 174.74 176.57 1fbx n TYR 180 N 4.38 0.00 1.51 1.40 4.02 -0.25 -2.40 117.16 125.82 1fbx n TYR 180 Ca -0.14 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.84 1fbx n TYR 180 Cb 0.52 -0.44 0.42 0.00 -0.02 0.00 0.00 39.34 39.82 1fbx n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fbx n VAL 182 N -0.09 0.12 -0.08 0.00 0.31 -1.01 -4.53 118.33 113.05 1fbx n VAL 182 Ca 0.15 -0.16 -0.11 0.00 -0.01 0.00 0.00 64.34 64.20 1fbx n VAL 182 Cb 0.23 -0.03 -0.09 0.00 -0.91 0.00 0.00 33.84 33.04 1fbx n VAL 182 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1fbx n LYS 183 N -1.86 0.73 0.14 5.55 4.81 -1.13 -0.97 118.16 125.43 1fbx n LYS 183 Ca -0.04 0.08 0.12 0.00 -0.87 0.00 0.00 58.31 57.60 1fbx n LYS 183 Cb 0.32 -1.35 0.20 0.00 0.02 0.00 0.00 35.03 34.22 1fbx n LYS 183 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fbx h ALA 184 N 0.15 0.83 -3.00 3.14 0.00 -1.12 -3.39 119.26 115.88 1fbx h ALA 184 Ca -0.39 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1fbx h ALA 184 Cb 1.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1fbx h ALA 184 CO -0.04 0.00 0.25 -0.98 0.00 0.00 0.00 179.25 178.47 1fbx s ARG 185 N -3.20 2.16 7.11 0.00 3.03 -1.25 -4.97 118.95 121.83 1fbx s ARG 185 Ca 0.06 -1.39 0.00 0.00 2.03 0.00 0.00 55.73 56.43 1fbx s ARG 185 Cb 0.09 0.62 0.00 0.00 -1.03 0.00 0.00 34.95 34.63 1fbx s ARG 185 CO 0.68 -1.01 0.00 0.41 -1.13 0.00 0.00 175.30 174.26 1fbx n GLY 186 N -0.52 2.04 0.12 3.88 0.00 -1.26 -2.67 105.19 106.78 1fbx n GLY 186 Ca -0.07 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.66 1fbx n GLY 186 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1fbx n ILE 187 N 0.00 0.96 -4.06 -0.61 0.13 -1.26 -4.90 119.36 109.62 1fbx n ILE 187 Ca 0.00 0.40 -0.31 0.00 -1.10 0.00 0.00 62.75 61.74 1fbx n ILE 187 Cb 0.00 -1.34 -0.01 0.00 -0.84 0.00 0.00 39.64 37.45 1fbx n ILE 187 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1fbx n ARG 188 N -2.16 -3.72 -2.61 9.51 1.74 -1.03 -4.93 116.66 113.47 1fbx n ARG 188 Ca 0.01 0.43 -0.43 0.00 -0.77 0.00 0.00 57.85 57.09 1fbx n ARG 188 Cb 0.15 -4.98 -0.02 0.00 -1.02 0.00 0.00 32.46 26.59 1fbx n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1fbx s ASP 189 N -3.70 7.04 0.05 0.55 -1.08 -0.14 -4.85 116.67 114.54 1fbx s ASP 189 Ca 0.45 1.38 0.24 0.00 -0.52 0.00 0.00 52.55 54.10 1fbx s ASP 189 Cb -0.24 -2.54 0.21 0.00 -1.46 0.00 0.00 42.92 38.88 1fbx s ASP 189 CO 0.89 -0.72 1.18 0.00 0.52 0.00 0.00 175.17 177.04 1fbx n ALA 190 N 6.47 3.39 -0.02 3.66 0.00 -1.26 -3.80 120.51 128.95 1fbx n ALA 190 Ca 0.12 -0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.25 1fbx n ALA 190 Cb 0.46 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 1fbx n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1fbx n THR 191 N -1.87 0.22 -2.24 0.00 -2.24 -1.26 -5.03 114.28 101.86 1fbx n THR 191 Ca 0.03 -0.46 -0.32 0.00 -2.27 0.00 0.00 64.05 61.04 1fbx n THR 191 Cb 0.41 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.59 1fbx n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1fbx s SER 192 N -4.20 6.38 0.06 3.42 1.04 -1.26 -5.08 113.70 114.05 1fbx s SER 192 Ca -0.07 1.60 0.00 0.00 0.48 0.00 0.00 55.95 57.96 1fbx s SER 192 Cb 0.10 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 1fbx s SER 192 CO 0.71 -0.76 -0.05 0.00 0.98 0.00 0.00 173.24 174.13 1fbx s ALA 193 N -2.68 0.59 -0.12 5.32 0.00 -1.26 -4.73 121.76 118.88 1fbx s ALA 193 Ca 0.59 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 1fbx s ALA 193 Cb -0.11 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1fbx s ALA 193 CO 0.36 -0.26 -0.11 0.99 0.00 0.00 0.00 175.76 176.75 1fbx s THR 194 N -3.15 3.28 -0.19 0.00 2.01 -0.04 -4.94 115.64 112.61 1fbx s THR 194 Ca 0.03 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 1fbx s THR 194 Cb 0.02 -2.38 -0.00 0.00 0.01 0.00 0.00 72.50 70.15 1fbx s THR 194 CO -0.06 0.53 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.40 1fbx s THR 195 N 0.15 2.89 0.04 -0.82 2.01 -1.26 -1.29 115.64 117.36 1fbx s THR 195 Ca -0.05 -0.67 0.07 0.00 0.31 0.00 0.00 61.69 61.34 1fbx s THR 195 Cb -0.15 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 1fbx s THR 195 CO 0.04 0.48 -0.20 0.42 -0.69 0.00 0.00 174.62 174.68 1fbx s THR 196 N 1.14 1.60 -0.01 -0.82 -4.23 -0.26 -5.00 115.64 108.06 1fbx s THR 196 Ca 0.01 -1.18 -0.02 0.00 -1.18 0.00 0.00 61.69 59.32 1fbx s THR 196 Cb -0.14 -1.40 -0.00 0.00 1.34 0.00 0.00 72.50 72.30 1fbx s THR 196 CO -0.04 0.18 0.04 0.42 -0.54 0.00 0.00 174.62 174.68 1fbx s THR 197 N -0.81 0.03 -0.06 3.99 -4.23 -1.26 -0.75 115.64 112.55 1fbx s THR 197 Ca 0.07 -0.23 0.06 0.00 -1.18 0.00 0.00 61.69 60.41 1fbx s THR 197 Cb -0.09 -0.14 -0.01 0.00 1.34 0.00 0.00 72.50 73.60 1fbx s THR 197 CO 0.02 -0.13 -0.25 -0.44 -0.54 0.00 0.00 174.62 173.28 1fbx s SER 198 N -0.37 3.08 -0.22 3.99 0.01 0.48 -5.00 113.70 115.67 1fbx s SER 198 Ca -0.04 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 56.71 1fbx s SER 198 Cb -0.03 -0.85 0.06 0.00 0.21 0.00 0.00 66.02 65.42 1fbx s SER 198 CO -0.00 0.25 -0.03 -0.76 0.41 0.00 0.00 173.24 173.11 1fbx s LEU 199 N -0.17 2.16 0.40 2.44 1.43 -1.26 -1.31 118.68 122.37 1fbx s LEU 199 Ca -0.04 -1.07 0.05 0.00 -1.03 0.00 0.00 54.13 52.04 1fbx s LEU 199 Cb -0.14 -1.01 -0.00 0.00 0.03 0.00 0.00 46.19 45.07 1fbx s LEU 199 CO 0.04 -0.25 0.57 -0.83 0.23 0.00 0.00 176.35 176.10 1fbx s GLY 200 N 1.53 1.66 0.00 -3.19 0.00 -0.17 -4.27 107.32 102.89 1fbx s GLY 200 Ca -0.04 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.30 1fbx s GLY 200 CO -0.07 -1.23 0.00 0.61 0.00 0.00 0.00 173.10 172.41 1fbx n GLY 201 N -1.86 2.34 0.33 0.20 0.00 -0.87 -2.03 105.19 103.31 1fbx n GLY 201 Ca 0.02 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.06 1fbx n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fbx h LEU 202 N 0.00 0.05 -1.60 0.99 3.38 -1.94 0.09 115.31 116.28 1fbx h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fbx h LEU 202 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1fbx h LEU 202 CO 0.00 0.03 0.00 -0.26 0.09 0.00 0.00 178.44 178.30 1fbx h PHE 203 N 0.06 0.00 0.00 1.13 0.04 -1.68 0.30 116.94 116.78 1fbx h PHE 203 Ca 0.17 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.55 1fbx h PHE 203 Cb 0.59 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.68 1fbx h PHE 203 CO -0.00 0.00 -2.31 1.17 -0.60 0.00 0.00 178.31 176.57 1fbx n LYS 204 N -2.56 0.51 0.09 1.51 4.81 -0.06 -4.19 118.16 118.27 1fbx n LYS 204 Ca -0.01 0.21 -0.15 0.00 -0.87 0.00 0.00 58.31 57.49 1fbx n LYS 204 Cb 0.13 -1.36 -0.14 0.00 0.02 0.00 0.00 35.03 33.69 1fbx n LYS 204 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1fbx h SER 205 N -0.71 0.36 -3.50 3.14 4.64 -1.27 -3.44 113.55 112.76 1fbx h SER 205 Ca -0.58 -0.41 -0.61 0.00 -0.47 0.00 0.00 61.79 59.71 1fbx h SER 205 Cb 1.57 -0.12 -0.12 0.00 -0.31 0.00 0.00 62.40 63.42 1fbx h SER 205 CO -0.32 1.33 0.18 -0.55 -0.87 0.00 0.00 176.83 176.60 1fbx s SER 206 N -7.03 6.55 0.12 4.97 0.15 0.10 -4.96 113.70 113.62 1fbx s SER 206 Ca -0.05 0.58 -0.15 0.00 0.70 0.00 0.00 55.95 57.03 1fbx s SER 206 Cb 0.07 -2.34 -0.02 0.00 -1.71 0.00 0.00 66.02 62.03 1fbx s SER 206 CO 0.87 -0.44 1.61 -0.61 1.20 0.00 0.00 173.24 175.87 1fbx h GLN 207 N 8.04 0.65 -0.26 5.44 5.75 -1.86 0.14 115.11 133.01 1fbx h GLN 207 Ca -0.26 -0.17 -0.07 0.00 -0.15 0.00 0.00 58.65 58.00 1fbx h GLN 207 Cb 1.12 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.58 1fbx h GLN 207 CO 0.80 0.69 -0.13 -0.97 -2.65 0.00 0.00 178.83 176.57 1fbx h ASN 208 N 0.50 0.43 0.70 -0.69 -1.24 -1.93 -1.27 115.58 112.08 1fbx h ASN 208 Ca 0.12 -0.11 -0.23 0.00 0.71 0.00 0.00 56.30 56.79 1fbx h ASN 208 Cb 0.35 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 1fbx h ASN 208 CO 0.01 0.59 -1.05 0.74 -1.29 0.00 0.00 177.43 176.43 1fbx h THR 209 N 0.41 1.55 -0.00 -3.57 2.02 -1.79 -2.45 112.91 109.09 1fbx h THR 209 Ca 0.08 -2.99 -0.00 0.00 0.77 0.00 0.00 66.41 64.27 1fbx h THR 209 Cb 0.48 2.74 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1fbx h THR 209 CO 0.03 0.87 -0.00 -0.09 0.37 0.00 0.00 175.52 176.69 1fbx h ARG 210 N 0.07 0.01 0.00 6.66 2.43 -0.72 -2.76 114.38 120.07 1fbx h ARG 210 Ca -0.07 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1fbx h ARG 210 Cb 1.75 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.29 1fbx h ARG 210 CO 0.16 0.37 -0.27 0.45 -1.51 0.00 0.00 179.97 179.16 1fbx h HIS 211 N -0.35 0.00 -0.53 2.20 3.86 -1.31 -1.32 115.15 117.70 1fbx h HIS 211 Ca 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 1fbx h HIS 211 Cb 0.36 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1fbx h HIS 211 CO 0.05 0.27 -0.04 0.93 0.86 0.00 0.00 177.93 180.00 1fbx h GLU 212 N 0.00 0.93 -0.01 2.45 5.08 -1.34 -1.30 114.58 120.39 1fbx h GLU 212 Ca -0.00 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1fbx h GLU 212 Cb 0.72 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1fbx h GLU 212 CO 0.04 0.95 -0.05 0.35 -1.00 0.00 0.00 179.01 179.29 1fbx h PHE 213 N 0.85 0.06 -0.39 4.33 3.57 -1.16 -2.93 116.94 121.28 1fbx h PHE 213 Ca 0.15 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.68 1fbx h PHE 213 Cb 0.56 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 1fbx h PHE 213 CO 0.03 0.75 0.06 -0.07 -2.23 0.00 0.00 178.31 176.85 1fbx h LEU 214 N -0.64 -0.03 -0.93 0.59 3.38 -1.24 0.83 115.31 117.27 1fbx h LEU 214 Ca -0.00 0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.22 1fbx h LEU 214 Cb 0.76 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.51 1fbx h LEU 214 CO 0.01 0.02 0.51 -0.09 0.09 0.00 0.00 178.44 178.97 1fbx h ARG 215 N 0.18 0.60 0.00 1.13 2.43 -1.29 -0.12 114.38 117.31 1fbx h ARG 215 Ca 0.19 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1fbx h ARG 215 Cb 0.24 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1fbx h ARG 215 CO -0.27 0.40 -0.43 0.00 -1.51 0.00 0.00 179.97 178.16 1fbx h ALA 216 N 1.64 1.05 -2.39 2.80 0.00 -0.68 -3.46 119.26 118.21 1fbx h ALA 216 Ca 0.54 -0.39 -0.51 0.00 0.00 0.00 0.00 54.91 54.55 1fbx h ALA 216 Cb 0.88 -0.07 0.13 0.00 0.00 0.00 0.00 17.79 18.73 1fbx h ALA 216 CO -0.42 0.54 0.34 0.08 0.00 0.00 0.00 179.25 179.79 1fbx s VAL 217 N -3.70 3.13 -0.11 0.00 1.01 -0.06 -4.55 120.40 116.13 1fbx s VAL 217 Ca -0.01 0.44 -0.00 0.00 0.00 0.00 0.00 61.98 62.41 1fbx s VAL 217 Cb 0.12 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 1fbx s VAL 217 CO 0.71 -0.41 0.10 -1.14 0.00 0.00 0.00 175.10 174.36 1fbx n ARG 218 N -3.07 -0.22 -3.34 2.72 3.00 -1.26 -5.02 116.66 109.47 1fbx n ARG 218 Ca 0.10 0.38 -0.43 0.00 -0.00 0.00 0.00 57.85 57.91 1fbx n ARG 218 Cb 0.52 -2.04 -0.01 0.00 0.00 0.00 0.00 32.46 30.93 1fbx n ARG 218 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1fbx n HIS 219 N -1.39 4.57 -1.55 -0.14 8.25 -1.26 -5.00 115.22 118.70 1fbx n HIS 219 Ca -0.00 -3.75 -0.27 0.00 -0.26 0.00 0.00 57.72 53.44 1fbx n HIS 219 Cb 0.51 -1.50 -0.07 0.00 1.12 0.00 0.00 29.99 30.05 1fbx n HIS 219 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1fbx n HIS 220 N 2.34 1.19 -0.31 4.41 -0.00 -1.26 -4.86 115.22 116.73 1fbx n HIS 220 Ca 0.24 0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.50 1fbx n HIS 220 Cb 0.38 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 27.75 1fbx n HIS 220 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89