#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 -4.35 3.54 2.88 -1.26 -5.17 113.62 109.26 1fbx n SER 2 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1fbx n SER 2 Cb 0.00 0.38 -0.10 0.00 -0.75 0.00 0.00 64.21 63.74 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 -4.33 1.89 0.15 2.46 1.43 -1.26 -4.78 118.68 114.25 1fbx s LEU 3 Ca 0.00 -1.40 0.06 0.00 -1.03 0.00 0.00 54.13 51.76 1fbx s LEU 3 Cb 0.00 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 46.03 1fbx s LEU 3 CO 0.00 -0.69 0.02 -0.94 0.23 0.00 0.00 176.35 174.97 1fbx s SER 4 N -3.41 4.95 0.29 2.29 1.04 -1.26 -4.98 113.70 112.63 1fbx s SER 4 Ca 0.36 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.53 1fbx s SER 4 Cb 0.08 -1.13 0.74 0.00 0.10 0.00 0.00 66.02 65.81 1fbx s SER 4 CO 0.15 0.11 1.67 0.11 0.98 0.00 0.00 173.24 176.25 1fbx h LYS 5 N 2.84 0.29 0.24 4.02 1.57 -2.02 0.25 116.57 123.76 1fbx h LYS 5 Ca -0.47 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1fbx h LYS 5 Cb 1.19 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1fbx h LYS 5 CO 0.59 0.19 -0.11 0.93 -0.57 0.00 0.00 179.45 180.48 1fbx h GLU 6 N 0.30 -0.31 -0.10 3.15 3.07 -1.98 0.77 114.58 119.49 1fbx h GLU 6 Ca 0.56 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.49 1fbx h GLU 6 Cb 1.12 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 29.04 1fbx h GLU 6 CO -0.59 0.03 -0.34 0.00 -1.40 0.00 0.00 179.01 176.71 1fbx h ALA 7 N -0.08 -0.44 -0.30 3.43 0.00 -1.70 0.22 119.26 120.39 1fbx h ALA 7 Ca -0.03 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1fbx h ALA 7 Cb 0.48 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1fbx h ALA 7 CO 0.05 -0.83 -0.09 0.00 0.00 0.00 0.00 179.25 178.38 1fbx h ALA 8 N 0.32 0.17 -0.70 0.00 0.00 -1.00 0.31 119.26 118.36 1fbx h ALA 8 Ca 0.08 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1fbx h ALA 8 Cb 0.57 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1fbx h ALA 8 CO -0.34 -0.48 0.37 -0.07 0.00 0.00 0.00 179.25 178.72 1fbx h LEU 9 N -0.03 0.51 0.17 0.00 3.38 -0.20 0.21 115.31 119.35 1fbx h LEU 9 Ca 0.15 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1fbx h LEU 9 Cb 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1fbx h LEU 9 CO -0.32 0.30 -0.08 0.58 0.09 0.00 0.00 178.44 179.01 1fbx h VAL 10 N 0.64 0.95 -0.33 1.22 2.07 0.41 -1.58 116.25 119.63 1fbx h VAL 10 Ca 0.33 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 67.10 1fbx h VAL 10 Cb 0.30 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 1fbx h VAL 10 CO -0.24 0.18 -0.16 -0.74 0.02 0.00 0.00 177.57 176.64 1fbx h HIS 11 N -0.65 -0.39 -0.27 1.57 -0.00 -0.11 -0.33 115.15 114.96 1fbx h HIS 11 Ca -0.02 0.04 0.06 0.00 -0.00 0.00 0.00 60.37 60.44 1fbx h HIS 11 Cb 0.48 0.22 -0.06 0.00 -0.00 0.00 0.00 27.41 28.05 1fbx h HIS 11 CO 0.05 -0.23 -0.10 0.93 -0.00 0.00 0.00 177.93 178.57 1fbx h GLU 12 N -0.11 -0.05 -0.76 5.26 5.08 -0.58 -1.64 114.58 121.78 1fbx h GLU 12 Ca 0.17 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1fbx h GLU 12 Cb 0.36 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1fbx h GLU 12 CO -0.40 -0.03 0.50 0.00 -1.00 0.00 0.00 179.01 178.07 1fbx h ALA 13 N 1.20 1.69 -0.32 3.43 0.00 -0.22 -0.05 119.26 125.00 1fbx h ALA 13 Ca 0.14 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1fbx h ALA 13 Cb 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1fbx h ALA 13 CO -0.31 0.18 -0.33 -0.07 0.00 0.00 0.00 179.25 178.72 1fbx h LEU 14 N 0.78 0.84 -0.25 0.00 3.38 -0.40 -2.87 115.31 116.79 1fbx h LEU 14 Ca 0.33 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1fbx h LEU 14 Cb 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1fbx h LEU 14 CO -0.11 1.14 0.02 0.58 0.09 0.00 0.00 178.44 180.15 1fbx h VAL 15 N 0.55 1.24 -0.86 1.22 2.07 -0.63 0.39 116.25 120.23 1fbx h VAL 15 Ca 0.05 -0.84 0.20 0.00 0.82 0.00 0.00 66.70 66.93 1fbx h VAL 15 Cb 0.91 1.30 -0.12 0.00 -1.52 0.00 0.00 31.29 31.86 1fbx h VAL 15 CO 0.08 0.27 0.36 0.00 0.02 0.00 0.00 177.57 178.29 1fbx h ALA 16 N 0.83 1.31 -0.01 1.67 0.00 -1.01 0.55 119.26 122.61 1fbx h ALA 16 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1fbx h ALA 16 Cb 0.37 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1fbx h ALA 16 CO 0.01 -0.30 -0.13 0.54 0.00 0.00 0.00 179.25 179.37 1fbx n ARG 17 N -5.04 1.02 -3.03 0.00 3.00 -1.09 -4.94 116.66 106.58 1fbx n ARG 17 Ca 0.20 -0.50 -0.13 0.00 -0.01 0.00 0.00 57.85 57.41 1fbx n ARG 17 Cb 0.58 -1.49 0.06 0.00 0.00 0.00 0.00 32.46 31.61 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 1.26 -0.08 0.04 -0.13 0.00 0.19 -4.95 105.19 101.52 1fbx n GLY 18 Ca 0.15 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.20 1.66 -4.84 0.99 4.77 0.12 -5.00 117.00 111.50 1fbx n LEU 19 Ca -0.14 -1.87 -0.32 0.00 -0.03 0.00 0.00 56.01 53.65 1fbx n LEU 19 Cb 0.59 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1fbx n LEU 19 CO 0.41 0.45 0.70 -1.61 -1.33 0.00 0.00 177.39 176.02 1fbx s GLU 20 N -1.19 3.72 0.24 3.23 0.41 -1.22 -4.82 118.70 119.07 1fbx s GLU 20 Ca 0.07 0.96 -0.30 0.00 -0.41 0.00 0.00 54.97 55.28 1fbx s GLU 20 Cb 0.06 -2.10 -0.10 0.00 -1.78 0.00 0.00 34.13 30.21 1fbx s GLU 20 CO 0.01 -0.47 1.41 0.99 -0.49 0.00 0.00 175.26 176.70 1fbx s THR 21 N -2.73 2.79 -0.72 3.63 2.01 -1.26 -4.83 115.64 114.52 1fbx s THR 21 Ca 0.59 0.66 -0.25 0.00 0.31 0.00 0.00 61.69 63.00 1fbx s THR 21 Cb -0.11 -3.42 -0.15 0.00 0.01 0.00 0.00 72.50 68.83 1fbx s THR 21 CO 0.38 0.11 2.45 -2.65 -0.69 0.00 0.00 174.62 174.21 1fbx n PRO 22 N 2.36 0.61 -4.39 4.92 -0.02 -1.26 -4.91 135.00 132.30 1fbx n PRO 22 Ca 0.06 -0.22 -0.28 0.00 -2.02 0.00 0.00 63.50 61.05 1fbx n PRO 22 Cb 0.41 -2.88 -0.13 0.00 -0.02 0.00 0.00 33.50 30.88 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 11.01 2.36 0.11 2.45 1.02 -1.26 -5.15 118.68 129.21 1fbx s LEU 23 Ca 1.08 -0.78 0.06 0.00 0.02 0.00 0.00 54.13 54.50 1fbx s LEU 23 Cb -0.44 -1.16 -0.04 0.00 0.02 0.00 0.00 46.19 44.57 1fbx s LEU 23 CO 0.29 0.14 -0.01 -0.13 0.02 0.00 0.00 176.35 176.66 1fbx s ARG 24 N -2.25 2.45 0.83 1.70 0.52 -1.26 -5.09 118.95 115.84 1fbx s ARG 24 Ca 0.15 -0.93 -0.12 0.00 -0.52 0.00 0.00 55.73 54.31 1fbx s ARG 24 Cb -0.09 -2.46 0.09 0.00 0.52 0.00 0.00 34.95 33.01 1fbx s ARG 24 CO 0.07 0.51 1.18 -2.14 0.02 0.00 0.00 175.30 174.95 1fbx s PRO 25 N -2.45 1.54 0.00 3.54 0.02 -1.26 -4.75 135.00 131.64 1fbx s PRO 25 Ca 0.25 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.94 1fbx s PRO 25 Cb -0.11 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.64 1fbx s PRO 25 CO 0.18 -2.27 0.46 -2.30 -0.33 0.00 0.00 177.00 172.74 1fbx n PRO 26 N -3.51 0.75 0.00 5.54 -0.02 -1.26 -4.87 135.00 131.63 1fbx n PRO 26 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1fbx n PRO 26 Cb 0.51 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 1fbx n PRO 26 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1fbx n VAL 27 N 0.24 0.00 -4.14 -1.45 0.31 -1.26 -4.26 118.33 107.76 1fbx n VAL 27 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1fbx n VAL 27 Cb 0.23 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.08 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 2.95 -0.92 3.52 -3.43 -1.26 -5.02 115.29 111.13 1fbx s HIS 28 Ca 0.00 -0.05 -0.26 0.00 -0.80 0.00 0.00 55.06 53.95 1fbx s HIS 28 Cb 0.00 -1.51 -0.19 0.00 -1.43 0.00 0.00 32.58 29.45 1fbx s HIS 28 CO 0.00 0.48 2.24 0.39 -2.00 0.00 0.00 174.74 175.85 1fbx n GLU 29 N 0.53 0.31 -3.21 -0.38 1.02 -1.26 -4.92 120.64 112.73 1fbx n GLU 29 Ca -0.11 -1.23 -0.39 0.00 -0.02 0.00 0.00 57.16 55.41 1fbx n GLU 29 Cb 0.52 -3.72 -0.06 0.00 -0.02 0.00 0.00 31.44 28.17 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 8.65 4.30 0.41 3.49 1.75 -1.26 -5.04 119.30 131.58 1fbx s MET 30 Ca 0.87 0.74 -0.26 0.00 -1.25 0.00 0.00 55.69 55.79 1fbx s MET 30 Cb -0.10 -3.32 -0.09 0.00 2.84 0.00 0.00 34.83 34.16 1fbx s MET 30 CO 0.14 0.43 1.28 0.34 -0.65 0.00 0.00 175.02 176.57 1fbx s ASP 31 N -0.41 6.33 0.35 1.11 2.15 -1.26 -4.91 116.67 120.03 1fbx s ASP 31 Ca 0.31 2.61 0.12 0.00 0.43 0.00 0.00 52.55 56.01 1fbx s ASP 31 Cb -0.19 -2.63 0.63 0.00 -0.30 0.00 0.00 42.92 40.43 1fbx s ASP 31 CO 0.18 -0.83 1.78 -1.13 -0.17 0.00 0.00 175.17 175.00 1fbx h ASN 32 N 2.67 0.03 1.25 -0.34 -1.24 -1.99 -0.14 115.58 115.82 1fbx h ASN 32 Ca -0.49 -0.01 -0.13 0.00 0.71 0.00 0.00 56.30 56.38 1fbx h ASN 32 Cb 1.24 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 40.27 1fbx h ASN 32 CO 0.62 0.44 -0.60 -0.33 -1.29 0.00 0.00 177.43 176.28 1fbx h GLU 33 N 0.03 0.00 -0.09 6.67 5.08 -1.99 -2.67 114.58 121.61 1fbx h GLU 33 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1fbx h GLU 33 Cb 0.74 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.00 1fbx h GLU 33 CO 0.05 0.60 -0.71 1.15 -1.00 0.00 0.00 179.01 179.10 1fbx h THR 34 N 0.00 1.33 -0.91 1.13 2.02 -1.88 -1.68 112.91 112.92 1fbx h THR 34 Ca -0.01 -1.99 0.04 0.00 0.77 0.00 0.00 66.41 65.22 1fbx h THR 34 Cb 1.39 2.21 -0.05 0.00 -1.74 0.00 0.00 68.15 69.96 1fbx h THR 34 CO 0.08 0.61 0.59 0.03 0.37 0.00 0.00 175.52 177.20 1fbx h ARG 35 N 0.28 1.11 -0.26 6.66 3.08 -0.98 -0.93 114.38 123.33 1fbx h ARG 35 Ca -0.06 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 59.73 1fbx h ARG 35 Cb 1.36 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1fbx h ARG 35 CO 0.14 0.73 -0.56 0.87 -1.07 0.00 0.00 179.97 180.08 1fbx h LYS 36 N 1.14 0.85 -0.10 0.04 1.57 -1.38 -0.68 116.57 118.00 1fbx h LYS 36 Ca 0.37 -0.56 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 1fbx h LYS 36 Cb 0.02 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1fbx h LYS 36 CO -0.12 1.19 -0.36 0.66 -0.57 0.00 0.00 179.45 180.25 1fbx h SER 37 N 0.62 0.20 -0.20 0.86 4.64 -1.02 0.19 113.55 118.84 1fbx h SER 37 Ca 0.00 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.17 1fbx h SER 37 Cb 1.18 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1fbx h SER 37 CO 0.12 0.55 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.39 1fbx h LEU 38 N 0.17 0.49 -0.64 5.97 3.38 -1.06 -1.68 115.31 121.95 1fbx h LEU 38 Ca 0.02 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1fbx h LEU 38 Cb 0.72 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1fbx h LEU 38 CO 0.05 0.85 0.37 0.40 0.09 0.00 0.00 178.44 180.21 1fbx h ILE 39 N 0.14 1.19 0.00 1.22 2.04 -0.78 -0.50 117.51 120.82 1fbx h ILE 39 Ca 0.03 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1fbx h ILE 39 Cb 0.70 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1fbx h ILE 39 CO 0.04 0.21 -0.01 0.00 0.00 0.00 0.00 178.15 178.39 1fbx h ALA 40 N 1.18 1.66 -0.20 1.87 0.00 -0.53 -1.50 119.26 121.75 1fbx h ALA 40 Ca 0.23 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1fbx h ALA 40 Cb 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1fbx h ALA 40 CO -0.04 0.01 -0.23 0.78 0.00 0.00 0.00 179.25 179.76 1fbx h GLY 41 N 0.03 0.56 1.04 0.00 0.00 -0.12 -2.04 103.07 102.53 1fbx h GLY 41 Ca -0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 1fbx h GLY 41 CO 0.00 0.54 0.10 0.45 0.00 0.00 0.00 176.54 177.63 1fbx h HIS 42 N 0.19 1.07 -0.75 5.60 -0.00 -0.90 -2.28 115.15 118.08 1fbx h HIS 42 Ca 0.03 -0.15 -0.05 0.00 -0.00 0.00 0.00 60.37 60.20 1fbx h HIS 42 Cb 0.79 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 27.87 1fbx h HIS 42 CO 0.08 0.91 0.26 0.52 -0.00 0.00 0.00 177.93 179.71 1fbx h MET 43 N 0.91 1.15 -0.36 2.45 2.86 -1.30 0.32 114.93 120.97 1fbx h MET 43 Ca 0.19 -0.23 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1fbx h MET 43 Cb 0.42 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 1fbx h MET 43 CO 0.01 0.96 -0.00 1.15 1.06 0.00 0.00 176.91 180.09 1fbx h THR 44 N 1.11 0.73 -0.08 2.22 2.02 -1.10 0.62 112.91 118.44 1fbx h THR 44 Ca 0.25 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.41 1fbx h THR 44 Cb 0.27 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1fbx h THR 44 CO -0.01 0.02 -0.04 -0.33 0.37 0.00 0.00 175.52 175.53 1fbx h GLU 45 N 0.10 -0.03 -0.72 6.66 4.39 -0.78 -1.91 114.58 122.29 1fbx h GLU 45 Ca 0.17 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.91 1fbx h GLU 45 Cb 0.24 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 1fbx h GLU 45 CO -0.29 -0.02 0.44 0.82 -1.16 0.00 0.00 179.01 178.80 1fbx h ILE 46 N -0.03 1.07 -0.73 3.13 2.04 -0.31 -1.14 117.51 121.53 1fbx h ILE 46 Ca 0.04 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1fbx h ILE 46 Cb 0.09 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 1fbx h ILE 46 CO -0.10 0.16 0.27 0.24 0.00 0.00 0.00 178.15 178.72 1fbx h MET 47 N 0.85 1.11 -0.46 2.37 2.86 -0.68 -1.45 114.93 119.53 1fbx h MET 47 Ca 0.30 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1fbx h MET 47 Cb 0.07 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1fbx h MET 47 CO -0.13 0.93 0.08 1.96 1.06 0.00 0.00 176.91 180.81 1fbx h GLN 48 N 1.06 0.71 0.00 1.72 4.20 -0.78 0.63 115.11 122.65 1fbx h GLN 48 Ca 0.24 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1fbx h GLN 48 Cb 0.25 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1fbx h GLN 48 CO -0.02 0.67 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.58 1fbx h LEU 49 N 0.68 0.00 -0.62 1.46 3.38 -0.55 0.15 115.31 119.81 1fbx h LEU 49 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1fbx h LEU 49 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1fbx h LEU 49 CO 0.00 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.87 1fbx n LEU 50 N -3.73 0.95 -0.16 1.67 4.77 0.16 -4.90 117.00 115.75 1fbx n LEU 50 Ca -0.02 -0.33 -0.02 0.00 -0.03 0.00 0.00 56.01 55.61 1fbx n LEU 50 Cb 0.27 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1fbx n LEU 50 CO 0.32 0.17 -0.02 0.59 -1.33 0.00 0.00 177.39 177.11 1fbx n ASN 51 N -0.24 -3.69 -4.75 -1.43 3.02 0.53 -5.01 115.26 103.70 1fbx n ASN 51 Ca 0.20 0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.40 1fbx n ASN 51 Cb 0.26 -1.38 -0.04 0.00 -0.61 0.00 0.00 39.78 38.01 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 -0.49 4.50 -0.93 3.41 1.43 -0.91 -4.95 118.68 120.75 1fbx s LEU 52 Ca 0.00 2.18 -0.24 0.00 -1.03 0.00 0.00 54.13 55.04 1fbx s LEU 52 Cb 0.00 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.65 1fbx s LEU 52 CO 0.00 -0.23 1.40 -0.62 0.23 0.00 0.00 176.35 177.13 1fbx s ASP 53 N -0.33 6.38 0.00 2.29 2.15 -1.26 -4.56 116.67 121.35 1fbx s ASP 53 Ca 0.48 -1.12 0.04 0.00 0.43 0.00 0.00 52.55 52.38 1fbx s ASP 53 Cb -0.31 -2.57 0.18 0.00 -0.30 0.00 0.00 42.92 39.92 1fbx s ASP 53 CO 0.37 -1.63 0.93 0.18 -0.17 0.00 0.00 175.17 174.86 1fbx n LEU 54 N 9.08 0.00 0.21 -1.34 4.77 -1.26 -1.10 117.00 127.36 1fbx n LEU 54 Ca 0.23 0.29 0.09 0.00 -0.03 0.00 0.00 56.01 56.59 1fbx n LEU 54 Cb 0.50 -0.29 0.37 0.00 -2.33 0.00 0.00 43.42 41.68 1fbx n LEU 54 CO 0.68 -0.25 0.76 0.00 -1.33 0.00 0.00 177.39 177.25 1fbx h ALA 55 N 2.17 0.96 -2.43 -1.18 0.00 -1.96 -3.29 119.26 113.52 1fbx h ALA 55 Ca 0.00 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 54.14 1fbx h ALA 55 Cb 0.03 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 17.85 1fbx h ALA 55 CO 0.00 0.29 0.84 -3.47 0.00 0.00 0.00 179.25 176.92 1fbx n ASP 56 N -3.31 3.38 0.19 0.00 2.03 -0.26 -4.85 116.55 113.73 1fbx n ASP 56 Ca 0.01 1.09 0.18 0.00 0.52 0.00 0.00 54.79 56.59 1fbx n ASP 56 Cb 0.48 -1.48 0.82 0.00 -0.72 0.00 0.00 41.12 40.22 1fbx n ASP 56 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1fbx h ASP 57 N 5.87 0.00 0.14 1.67 2.03 -1.90 -1.19 116.42 123.04 1fbx h ASP 57 Ca -0.45 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 55.65 1fbx h ASP 57 Cb 1.24 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.76 1fbx h ASP 57 CO 0.88 0.00 -0.95 -1.28 -1.03 0.00 0.00 179.24 176.86 1fbx h SER 58 N 0.00 0.46 1.15 4.15 0.87 -1.94 -3.37 113.55 114.86 1fbx h SER 58 Ca 0.10 -0.93 -0.17 0.00 -1.23 0.00 0.00 61.79 59.56 1fbx h SER 58 Cb 0.63 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1fbx h SER 58 CO -0.00 1.45 -0.87 -0.07 -0.53 0.00 0.00 176.83 176.80 1fbx h LEU 59 N -0.35 0.00 -0.99 2.23 3.38 -1.79 -3.37 115.31 114.42 1fbx h LEU 59 Ca -0.18 0.00 0.36 0.00 0.09 0.00 0.00 57.88 58.15 1fbx h LEU 59 Cb 1.68 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 42.25 1fbx h LEU 59 CO 0.14 0.76 0.38 -0.03 0.09 0.00 0.00 178.44 179.77 1fbx h MET 60 N 0.00 0.03 0.00 1.13 4.05 -1.30 0.24 114.93 119.09 1fbx h MET 60 Ca -0.04 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1fbx h MET 60 Cb 1.61 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.40 1fbx h MET 60 CO 0.09 0.02 -0.50 0.39 0.23 0.00 0.00 176.91 177.14 1fbx n GLU 61 N -5.31 0.00 -0.13 0.39 -0.58 -1.26 -4.47 120.64 109.28 1fbx n GLU 61 Ca 0.32 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 57.03 1fbx n GLU 61 Cb 1.09 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 30.50 1fbx n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1fbx h THR 62 N 0.00 0.74 -0.33 2.62 2.02 -0.72 -1.47 112.91 115.77 1fbx h THR 62 Ca 0.00 -0.06 0.07 0.00 0.77 0.00 0.00 66.41 67.19 1fbx h THR 62 Cb 0.50 0.54 -0.07 0.00 -1.74 0.00 0.00 68.15 67.38 1fbx h THR 62 CO 0.00 0.03 -0.13 -0.65 0.37 0.00 0.00 175.52 175.15 1fbx h PRO 63 N 0.19 -0.06 -0.12 6.66 0.11 -1.78 0.58 132.00 137.57 1fbx h PRO 63 Ca 0.21 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 1fbx h PRO 63 Cb 0.28 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1fbx h PRO 63 CO -0.30 -0.04 -0.34 1.25 -0.21 0.00 0.00 178.00 178.36 1fbx h HIS 64 N -0.06 0.29 -0.44 0.65 -0.00 -1.78 -1.79 115.15 112.00 1fbx h HIS 64 Ca 0.17 -0.07 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 1fbx h HIS 64 Cb 0.31 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.64 1fbx h HIS 64 CO -0.34 0.57 0.13 0.00 -0.00 0.00 0.00 177.93 178.28 1fbx h ARG 65 N 0.22 0.70 -0.14 5.26 3.08 -0.11 -1.16 114.38 122.21 1fbx h ARG 65 Ca 0.03 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 1fbx h ARG 65 Cb 0.72 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1fbx h ARG 65 CO 0.05 0.68 -0.53 0.82 -1.07 0.00 0.00 179.97 179.93 1fbx h ILE 66 N 0.58 1.34 -0.23 2.04 2.04 -0.87 0.15 117.51 122.55 1fbx h ILE 66 Ca 0.14 -1.78 -0.00 0.00 1.00 0.00 0.00 64.86 64.21 1fbx h ILE 66 Cb 0.29 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1fbx h ILE 66 CO -0.00 0.54 0.13 0.00 0.00 0.00 0.00 178.15 178.82 1fbx h ALA 67 N 1.12 0.30 -0.49 1.87 0.00 -1.16 -1.70 119.26 119.20 1fbx h ALA 67 Ca 0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1fbx h ALA 67 Cb 1.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1fbx h ALA 67 CO 0.09 -0.19 -0.12 -0.22 0.00 0.00 0.00 179.25 178.82 1fbx h LYS 68 N 0.28 0.94 -0.67 0.00 3.64 -1.01 -2.92 116.57 116.83 1fbx h LYS 68 Ca 0.08 -0.36 0.04 0.00 -1.27 0.00 0.00 60.65 59.14 1fbx h LYS 68 Cb 0.04 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1fbx h LYS 68 CO -0.01 1.02 0.40 1.98 -2.27 0.00 0.00 179.45 180.57 1fbx h MET 69 N 0.79 0.76 -0.24 1.90 4.05 -0.77 -0.54 114.93 120.88 1fbx h MET 69 Ca 0.12 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1fbx h MET 69 Cb 0.67 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1fbx h MET 69 CO 0.05 0.50 0.09 1.88 0.23 0.00 0.00 176.91 179.66 1fbx h TYR 70 N 0.78 0.38 0.08 1.39 -1.99 -1.26 0.13 116.97 116.48 1fbx h TYR 70 Ca 0.27 -0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.84 1fbx h TYR 70 Cb 0.06 -0.11 0.01 0.00 2.00 0.00 0.00 36.73 38.69 1fbx h TYR 70 CO -0.05 0.42 -0.54 0.28 -0.00 0.00 0.00 178.16 178.27 1fbx h VAL 71 N 0.23 1.58 0.08 -2.88 2.07 -1.43 -2.17 116.25 113.73 1fbx h VAL 71 Ca 0.08 -2.38 -0.32 0.00 0.82 0.00 0.00 66.70 64.90 1fbx h VAL 71 Cb 0.21 3.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1fbx h VAL 71 CO -0.00 0.66 -1.74 0.44 0.02 0.00 0.00 177.57 176.95 1fbx h ASP 72 N -0.51 0.27 0.00 0.57 3.32 -1.24 -3.36 116.42 115.47 1fbx h ASP 72 Ca -0.09 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.46 1fbx h ASP 72 Cb 1.39 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1fbx h ASP 72 CO 0.10 1.44 0.00 -0.62 -1.72 0.00 0.00 179.24 178.44 1fbx n GLU 73 N -3.33 0.00 0.32 3.56 1.02 -0.76 -4.45 120.64 117.00 1fbx n GLU 73 Ca -0.22 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.14 1fbx n GLU 73 Cb 1.05 0.00 1.08 0.00 -0.02 0.00 0.00 31.44 33.54 1fbx n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1fbx h ILE 74 N 0.00 0.03 -0.10 -3.67 3.07 -0.97 -2.39 117.51 113.48 1fbx h ILE 74 Ca 0.00 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.27 1fbx h ILE 74 Cb 0.00 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.68 1fbx h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1fbx n PHE 75 N -3.12 0.13 0.16 0.16 3.72 -0.82 -2.97 117.46 114.73 1fbx n PHE 75 Ca -0.02 -0.50 0.08 0.00 -0.05 0.00 0.00 57.45 56.96 1fbx n PHE 75 Cb 0.13 -0.04 0.43 0.00 -0.94 0.00 0.00 39.48 39.05 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 -0.22 0.41 -0.75 4.37 3.41 -0.90 -1.47 113.62 118.47 1fbx n SER 76 Ca 0.03 0.62 0.04 0.00 -0.26 0.00 0.00 58.87 59.30 1fbx n SER 76 Cb 0.30 -0.61 0.14 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.29 1.08 0.03 5.00 0.00 -0.26 -3.26 105.19 106.48 1fbx n GLY 77 Ca -0.01 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 0.32 0.62 -4.21 0.99 4.77 -0.54 -4.71 117.00 114.24 1fbx n LEU 78 Ca 0.10 -0.05 -0.39 0.00 -0.03 0.00 0.00 56.01 55.65 1fbx n LEU 78 Cb 0.40 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 1fbx n LEU 78 CO 0.09 0.06 -0.14 -0.62 -1.33 0.00 0.00 177.39 175.46 1fbx s ASP 79 N -3.84 5.47 0.00 -1.43 -1.08 -1.20 -4.94 116.67 109.64 1fbx s ASP 79 Ca 0.04 -1.69 0.00 0.00 -0.52 0.00 0.00 52.55 50.38 1fbx s ASP 79 Cb 0.15 -1.92 0.00 0.00 -1.46 0.00 0.00 42.92 39.69 1fbx s ASP 79 CO 0.80 -0.54 0.30 -1.22 0.52 0.00 0.00 175.17 175.04 1fbx n TYR 80 N 4.80 0.00 0.43 -5.34 4.02 -1.26 -0.28 117.16 119.52 1fbx n TYR 80 Ca -0.08 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.94 1fbx n TYR 80 Cb 0.42 0.00 0.48 0.00 -0.02 0.00 0.00 39.34 40.23 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 1.54 1.00 -0.57 -0.72 0.00 -1.91 -2.75 119.26 115.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 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 -2.40 3.76 -4.78 0.00 3.02 0.61 -4.98 115.26 110.51 1fbx n ASN 82 Ca 0.03 -2.13 -0.41 0.00 -0.03 0.00 0.00 54.58 52.04 1fbx n ASN 82 Cb 0.30 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 39.04 1fbx n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1fbx s PHE 83 N -1.23 2.72 0.55 3.10 5.36 -1.04 -4.93 117.98 122.51 1fbx s PHE 83 Ca 0.41 1.25 -0.19 0.00 -0.96 0.00 0.00 56.93 57.44 1fbx s PHE 83 Cb 0.23 -3.91 -0.06 0.00 -0.34 0.00 0.00 43.02 38.94 1fbx s PHE 83 CO 0.25 -2.64 1.10 -1.25 -1.46 0.00 0.00 175.22 171.22 1fbx s PRO 84 N -2.02 3.38 0.34 10.12 0.04 -1.26 -4.99 135.00 140.60 1fbx s PRO 84 Ca 0.52 1.51 -0.28 0.00 0.04 0.00 0.00 61.00 62.79 1fbx s PRO 84 Cb -0.44 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 1fbx s PRO 84 CO 0.60 -0.81 1.20 0.15 0.04 0.00 0.00 177.00 178.18 1fbx s LYS 85 N -3.42 4.32 -0.08 4.56 1.02 -1.26 -4.96 119.74 119.91 1fbx s LYS 85 Ca 0.70 1.97 0.05 0.00 0.02 0.00 0.00 55.97 58.71 1fbx s LYS 85 Cb -0.21 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 1fbx s LYS 85 CO 0.28 -0.14 -0.23 0.42 -0.92 0.00 0.00 175.35 174.76 1fbx s ILE 86 N -1.24 2.18 -0.07 2.17 -1.09 -1.26 -4.98 121.20 116.91 1fbx s ILE 86 Ca 0.51 -1.00 0.04 0.00 -2.23 0.00 0.00 60.65 57.96 1fbx s ILE 86 Cb -0.34 -1.82 0.00 0.00 -1.58 0.00 0.00 42.46 38.72 1fbx s ILE 86 CO 0.45 0.56 -0.19 0.42 -1.23 0.00 0.00 174.94 174.95 1fbx s THR 87 N 0.03 1.60 -0.10 2.92 -4.23 -1.26 -5.12 115.64 109.49 1fbx s THR 87 Ca -0.09 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1fbx s THR 87 Cb -0.15 -1.40 0.01 0.00 1.34 0.00 0.00 72.50 72.30 1fbx s THR 87 CO 0.06 0.46 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.66 1fbx s LEU 88 N 0.34 1.81 0.14 4.79 1.43 -1.26 -2.87 118.68 123.06 1fbx s LEU 88 Ca -0.13 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1fbx s LEU 88 Cb -0.15 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 1fbx s LEU 88 CO 0.05 0.06 0.26 0.27 0.23 0.00 0.00 176.35 177.22 1fbx s ILE 89 N 0.73 5.27 0.28 -0.59 -4.36 0.10 -4.87 121.20 117.75 1fbx s ILE 89 Ca -0.12 -0.67 -0.29 0.00 -0.26 0.00 0.00 60.65 59.31 1fbx s ILE 89 Cb -0.16 -3.69 -0.10 0.00 1.25 0.00 0.00 42.46 39.77 1fbx s ILE 89 CO 0.03 -0.06 1.17 -0.70 0.24 0.00 0.00 174.94 175.62 1fbx s GLU 90 N -3.11 4.54 -1.16 0.37 2.12 -1.26 0.29 118.70 120.49 1fbx s GLU 90 Ca 0.34 1.92 -0.17 0.00 0.36 0.00 0.00 54.97 57.43 1fbx s GLU 90 Cb -0.11 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 1fbx s GLU 90 CO 0.28 0.06 2.14 -1.71 -0.54 0.00 0.00 175.26 175.49 1fbx n ASN 91 N 1.32 3.68 0.08 -1.70 5.15 0.01 -4.50 115.26 119.30 1fbx n ASN 91 Ca 0.00 -2.73 -0.11 0.00 -0.60 0.00 0.00 54.58 51.15 1fbx n ASN 91 Cb 0.44 -1.40 -0.03 0.00 -0.53 0.00 0.00 39.78 38.26 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 6.72 0.25 0.00 1.20 1.57 -1.91 -2.62 116.57 121.79 1fbx h LYS 92 Ca 0.52 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1fbx h LYS 92 Cb 0.60 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1fbx h LYS 92 CO 1.89 1.02 0.00 -1.33 -0.57 0.00 0.00 179.45 180.46 1fbx n MET 93 N -3.66 0.20 -3.97 3.15 2.81 -1.26 -4.83 117.12 109.56 1fbx n MET 93 Ca -0.05 0.11 -0.26 0.00 -1.81 0.00 0.00 57.70 55.69 1fbx n MET 93 Cb 0.84 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.82 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 -1.16 -2.93 -2.08 0.03 5.02 -0.99 -4.86 118.16 111.19 1fbx n LYS 94 Ca 0.06 0.37 -0.43 0.00 -2.02 0.00 0.00 58.31 56.29 1fbx n LYS 94 Cb 0.06 -4.39 -0.03 0.00 -0.02 0.00 0.00 35.03 30.65 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 -3.97 3.66 -0.20 -0.18 1.01 -1.26 -4.85 120.40 114.61 1fbx s VAL 95 Ca 0.03 0.76 0.14 0.00 0.00 0.00 0.00 61.98 62.91 1fbx s VAL 95 Cb -0.01 -3.63 0.30 0.00 0.00 0.00 0.00 36.38 33.04 1fbx s VAL 95 CO 0.90 -0.21 1.20 -0.90 0.00 0.00 0.00 175.10 176.09 1fbx n ASP 96 N 8.12 2.74 -4.42 3.32 5.75 -1.26 -4.35 116.55 126.45 1fbx n ASP 96 Ca 0.19 -2.75 -0.21 0.00 -0.01 0.00 0.00 54.79 52.00 1fbx n ASP 96 Cb 0.45 -0.36 -0.10 0.00 -1.03 0.00 0.00 41.12 40.07 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 -2.32 1.54 0.45 0.11 0.41 -1.26 -5.00 118.70 112.62 1fbx s GLU 97 Ca 0.28 -1.76 -0.22 0.00 -0.41 0.00 0.00 54.97 52.85 1fbx s GLU 97 Cb 0.23 -1.22 -0.09 0.00 -1.78 0.00 0.00 34.13 31.28 1fbx s GLU 97 CO 0.05 0.08 1.06 0.00 -0.49 0.00 0.00 175.26 175.96 1fbx s MET 98 N -3.70 3.95 -0.11 1.61 0.23 -1.26 -4.42 119.30 115.60 1fbx s MET 98 Ca 0.29 1.47 -0.03 0.00 -1.03 0.00 0.00 55.69 56.38 1fbx s MET 98 Cb 0.02 -2.32 -0.03 0.00 -1.53 0.00 0.00 34.83 30.97 1fbx s MET 98 CO 0.12 -0.32 0.02 0.08 -2.03 0.00 0.00 175.02 172.89 1fbx s VAL 99 N -1.79 4.48 -0.04 5.16 1.01 -0.60 -4.93 120.40 123.69 1fbx s VAL 99 Ca 0.63 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.47 1fbx s VAL 99 Cb -0.20 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1fbx s VAL 99 CO 0.25 0.58 -0.13 -0.89 0.00 0.00 0.00 175.10 174.91 1fbx s THR 100 N -0.65 1.10 -0.22 3.92 2.01 -1.26 -1.95 115.64 118.59 1fbx s THR 100 Ca 0.11 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.58 1fbx s THR 100 Cb -0.12 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.45 1fbx s THR 100 CO 0.02 0.33 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.47 1fbx s VAL 101 N 0.21 2.54 0.28 3.82 1.01 0.32 -5.00 120.40 123.58 1fbx s VAL 101 Ca -0.05 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.05 1fbx s VAL 101 Cb -0.11 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1fbx s VAL 101 CO 0.02 0.35 0.08 0.00 0.00 0.00 0.00 175.10 175.54 1fbx s ARG 102 N 1.31 2.45 -1.47 2.72 1.70 -1.26 -1.14 118.95 123.26 1fbx s ARG 102 Ca 0.02 -1.38 -0.06 0.00 -0.47 0.00 0.00 55.73 53.84 1fbx s ARG 102 Cb -0.15 -2.25 0.05 0.00 -0.57 0.00 0.00 34.95 32.03 1fbx s ARG 102 CO -0.08 0.30 0.64 -0.25 -1.08 0.00 0.00 175.30 174.84 1fbx n ASP 103 N -1.02 -1.85 -4.73 -2.89 8.00 -1.13 -4.92 116.55 108.01 1fbx n ASP 103 Ca -0.06 -0.93 -0.42 0.00 0.71 0.00 0.00 54.79 54.09 1fbx n ASP 103 Cb 0.59 -3.32 -0.03 0.00 -0.02 0.00 0.00 41.12 38.34 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 -3.66 3.73 0.10 0.53 1.01 0.82 -4.76 121.20 118.97 1fbx s ILE 104 Ca 0.27 1.34 -0.31 0.00 0.00 0.00 0.00 60.65 61.95 1fbx s ILE 104 Cb -0.14 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 1fbx s ILE 104 CO 0.87 0.16 1.44 -0.89 0.00 0.00 0.00 174.94 176.52 1fbx s THR 105 N 0.52 3.27 -0.18 2.92 2.01 -1.26 -0.12 115.64 122.81 1fbx s THR 105 Ca 0.56 0.86 -0.05 0.00 0.31 0.00 0.00 61.69 63.38 1fbx s THR 105 Cb -0.32 -3.55 0.06 0.00 0.01 0.00 0.00 72.50 68.70 1fbx s THR 105 CO 0.33 0.05 0.10 -0.22 -0.69 0.00 0.00 174.62 174.19 1fbx s LEU 106 N 1.50 0.32 -0.20 4.42 0.20 -0.64 -4.82 118.68 119.45 1fbx s LEU 106 Ca 0.66 -0.61 -0.03 0.00 0.69 0.00 0.00 54.13 54.84 1fbx s LEU 106 Cb -0.37 -0.20 -0.01 0.00 -0.43 0.00 0.00 46.19 45.18 1fbx s LEU 106 CO 0.30 -0.35 -0.06 0.42 -0.29 0.00 0.00 176.35 176.37 1fbx s THR 107 N 2.15 3.32 0.00 3.68 -4.23 -1.26 -0.77 115.64 118.52 1fbx s THR 107 Ca 0.03 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1fbx s THR 107 Cb -0.16 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1fbx s THR 107 CO -0.10 0.44 0.00 -0.24 -0.54 0.00 0.00 174.62 174.18 1fbx n SER 108 N 4.55 0.98 -3.72 3.99 2.88 0.23 -4.61 113.62 117.92 1fbx n SER 108 Ca -0.18 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.23 1fbx n SER 108 Cb 0.51 0.00 -0.13 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 0.33 -0.06 0.23 2.46 2.01 -1.26 -0.17 115.64 119.18 1fbx s THR 109 Ca 0.00 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 1fbx s THR 109 Cb 0.00 -0.40 -0.09 0.00 0.01 0.00 0.00 72.50 72.02 1fbx s THR 109 CO 0.00 0.06 1.27 0.00 -0.69 0.00 0.00 174.62 175.27 1fbx n GLU 111 N 2.10 0.77 0.08 0.00 0.28 0.12 -0.89 120.64 123.10 1fbx n GLU 111 Ca 0.04 0.01 0.07 0.00 -0.16 0.00 0.00 57.16 57.11 1fbx n GLU 111 Cb 0.43 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.78 1fbx n GLU 111 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1fbx h HIS 112 N 0.00 0.00 0.00 -1.84 3.86 -1.89 -3.41 115.15 111.87 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 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1fbx h HIS 112 CO 0.00 0.24 -0.12 0.72 0.86 0.00 0.00 177.93 179.63 1fbx n HIS 113 N -2.80 0.00 -3.97 2.45 8.25 -1.20 -5.02 115.22 112.93 1fbx n HIS 113 Ca -0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 1fbx n HIS 113 Cb 0.67 0.04 -0.00 0.00 1.12 0.00 0.00 29.99 31.82 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 -1.90 -4.50 4.41 3.01 -0.06 -4.96 117.46 113.45 1fbx n PHE 114 Ca 0.00 0.82 -0.29 0.00 1.01 0.00 0.00 57.45 58.99 1fbx n PHE 114 Cb 0.55 -3.71 -0.13 0.00 -0.01 0.00 0.00 39.48 36.18 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 -3.55 2.34 0.15 -4.37 1.01 -1.24 -4.90 120.40 109.84 1fbx s VAL 115 Ca 0.39 -1.62 -0.33 0.00 0.00 0.00 0.00 61.98 60.41 1fbx s VAL 115 Cb -0.20 -2.02 -0.17 0.00 0.00 0.00 0.00 36.38 33.99 1fbx s VAL 115 CO 0.87 0.16 0.99 0.41 0.00 0.00 0.00 175.10 177.53 1fbx n THR 116 N 1.10 1.00 -4.39 3.92 -1.04 -1.26 -0.00 114.28 113.61 1fbx n THR 116 Ca -0.17 -0.25 -0.33 0.00 -2.04 0.00 0.00 64.05 61.26 1fbx n THR 116 Cb 0.53 -0.48 -0.16 0.00 -1.82 0.00 0.00 70.33 68.39 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 -0.37 2.11 -0.13 12.58 1.01 0.76 -2.06 121.20 135.09 1fbx s ILE 117 Ca 0.74 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 60.47 1fbx s ILE 117 Cb -0.95 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 39.66 1fbx s ILE 117 CO 0.54 0.54 -0.21 -0.62 0.00 0.00 0.00 174.94 175.19 1fbx s ASP 118 N 1.05 3.03 0.19 3.58 -1.08 -0.44 0.78 116.67 123.78 1fbx s ASP 118 Ca -0.01 -0.58 -0.11 0.00 -0.52 0.00 0.00 52.55 51.33 1fbx s ASP 118 Cb -0.14 -1.40 0.04 0.00 -1.46 0.00 0.00 42.92 39.96 1fbx s ASP 118 CO -0.07 0.08 0.56 0.61 0.52 0.00 0.00 175.17 176.87 1fbx n GLY 119 N 4.03 1.14 3.24 2.66 0.00 0.05 0.14 105.19 116.44 1fbx n GLY 119 Ca -0.20 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.05 1.84 0.04 1.61 3.01 0.93 -1.62 119.74 123.50 1fbx s LYS 120 Ca 0.12 -0.78 0.06 0.00 -1.01 0.00 0.00 55.97 54.36 1fbx s LYS 120 Cb -0.03 -1.74 -0.03 0.00 -1.01 0.00 0.00 37.83 35.02 1fbx s LYS 120 CO 0.06 0.45 -0.13 0.00 0.51 0.00 0.00 175.35 176.24 1fbx s ALA 121 N -0.45 2.80 -0.08 5.17 0.00 0.83 -1.85 121.76 128.18 1fbx s ALA 121 Ca 0.07 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.91 1fbx s ALA 121 Cb -0.09 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.14 1fbx s ALA 121 CO -0.00 0.60 -0.18 0.99 0.00 0.00 0.00 175.76 177.17 1fbx s THR 122 N -1.01 1.58 -0.04 0.00 2.01 0.15 -0.12 115.64 118.20 1fbx s THR 122 Ca 0.17 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.44 1fbx s THR 122 Cb -0.11 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 71.03 1fbx s THR 122 CO 0.08 0.45 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.71 1fbx s VAL 123 N 0.52 0.61 0.19 3.82 1.01 -0.29 -0.89 120.40 125.38 1fbx s VAL 123 Ca -0.16 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1fbx s VAL 123 Cb -0.17 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1fbx s VAL 123 CO 0.06 0.23 -0.14 0.00 0.00 0.00 0.00 175.10 175.26 1fbx s ALA 124 N 0.77 1.90 -0.25 5.51 0.00 -0.87 -0.53 121.76 128.29 1fbx s ALA 124 Ca -0.11 -1.62 -0.27 0.00 0.00 0.00 0.00 51.96 49.97 1fbx s ALA 124 Cb -0.14 -0.06 0.14 0.00 0.00 0.00 0.00 23.12 23.06 1fbx s ALA 124 CO 0.01 0.04 1.14 1.52 0.00 0.00 0.00 175.76 178.47 1fbx s TYR 125 N -3.00 -0.32 -0.39 0.00 1.13 -0.82 -1.75 117.35 112.21 1fbx s TYR 125 Ca 0.21 0.69 -0.14 0.00 -1.41 0.00 0.00 57.07 56.42 1fbx s TYR 125 Cb -0.00 0.42 0.02 0.00 -1.10 0.00 0.00 41.96 41.30 1fbx s TYR 125 CO 0.06 -0.20 0.27 0.42 -2.51 0.00 0.00 175.55 173.58 1fbx s ILE 126 N -0.31 5.06 0.64 -3.49 1.01 -0.93 -1.55 121.20 121.63 1fbx s ILE 126 Ca 0.03 -0.68 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 1fbx s ILE 126 Cb -0.03 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1fbx s ILE 126 CO -0.06 -0.26 0.91 -2.65 0.00 0.00 0.00 174.94 172.88 1fbx n PRO 127 N 5.11 0.73 0.00 2.79 -0.02 -1.26 -4.85 135.00 137.50 1fbx n PRO 127 Ca -0.11 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1fbx n PRO 127 Cb 0.47 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.17 0.00 0.03 -0.52 4.81 -1.26 -4.78 118.16 115.27 1fbx n LYS 128 Ca 0.13 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.52 1fbx n LYS 128 Cb 0.48 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.42 1fbx n LYS 128 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1fbx h ASP 129 N 0.00 0.00 -2.78 3.14 3.32 -1.93 -3.43 116.42 114.74 1fbx h ASP 129 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1fbx h ASP 129 Cb 0.00 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.39 1fbx h ASP 129 CO 0.00 0.88 -0.78 -0.44 -1.72 0.00 0.00 179.24 177.18 1fbx s SER 130 N -6.28 3.67 -0.11 6.45 0.01 -1.26 -0.81 113.70 115.37 1fbx s SER 130 Ca -0.02 -0.87 -0.00 0.00 1.31 0.00 0.00 55.95 56.37 1fbx s SER 130 Cb 0.09 -0.37 0.02 0.00 0.21 0.00 0.00 66.02 65.97 1fbx s SER 130 CO 0.81 0.08 -0.07 -0.69 0.41 0.00 0.00 173.24 173.78 1fbx s VAL 131 N -2.00 1.00 0.14 3.43 1.01 0.14 -4.71 120.40 119.42 1fbx s VAL 131 Ca 0.25 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 1fbx s VAL 131 Cb -0.07 -1.02 -0.07 0.00 0.00 0.00 0.00 36.38 35.22 1fbx s VAL 131 CO 0.13 0.36 0.56 -0.51 0.00 0.00 0.00 175.10 175.64 1fbx s ILE 132 N 1.65 4.84 0.22 2.22 2.07 -1.26 0.02 121.20 130.96 1fbx s ILE 132 Ca 0.04 0.87 -0.32 0.00 -1.41 0.00 0.00 60.65 59.83 1fbx s ILE 132 Cb -0.13 -3.75 -0.14 0.00 0.13 0.00 0.00 42.46 38.58 1fbx s ILE 132 CO -0.07 0.27 1.40 0.61 -1.91 0.00 0.00 174.94 175.23 1fbx n GLY 133 N 0.87 0.74 0.28 1.50 0.00 -1.14 -4.89 105.19 102.56 1fbx n GLY 133 Ca -0.06 0.52 -0.12 0.00 0.00 0.00 0.00 46.02 46.37 1fbx n GLY 133 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fbx h LEU 134 N 4.33 -0.73 -1.82 0.99 3.38 -1.95 -1.93 115.31 117.57 1fbx h LEU 134 Ca -0.45 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1fbx h LEU 134 Cb 1.28 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1fbx h LEU 134 CO 0.77 -0.33 0.26 0.77 0.09 0.00 0.00 178.44 180.00 1fbx h SER 135 N -0.41 0.00 0.06 -0.43 4.64 -2.01 0.16 113.55 115.56 1fbx h SER 135 Ca 0.05 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.24 1fbx h SER 135 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1fbx h SER 135 CO -0.19 0.00 -0.44 0.11 -0.87 0.00 0.00 176.83 175.43 1fbx h LYS 136 N 0.00 0.46 -0.82 4.77 1.79 -1.71 -2.12 116.57 118.95 1fbx h LYS 136 Ca 0.00 -0.24 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 1fbx h LYS 136 Cb 0.53 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.15 1fbx h LYS 136 CO 0.00 0.82 0.48 0.82 -1.08 0.00 0.00 179.45 180.48 1fbx h ILE 137 N 0.38 1.23 0.76 1.86 2.04 -0.75 0.77 117.51 123.79 1fbx h ILE 137 Ca 0.03 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 1fbx h ILE 137 Cb 0.93 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1fbx h ILE 137 CO 0.08 0.25 -0.36 0.78 0.00 0.00 0.00 178.15 178.89 1fbx h ASN 138 N 1.13 -0.86 -0.55 1.72 2.35 -1.52 -2.30 115.58 115.54 1fbx h ASN 138 Ca 0.29 0.01 0.12 0.00 -0.55 0.00 0.00 56.30 56.17 1fbx h ASN 138 Cb -0.02 0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 1fbx h ASN 138 CO -0.05 -0.53 0.38 0.03 -1.65 0.00 0.00 177.43 175.61 1fbx h ARG 139 N -1.18 0.23 0.45 0.81 3.08 -1.14 0.11 114.38 116.75 1fbx h ARG 139 Ca -0.10 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1fbx h ARG 139 Cb 0.80 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1fbx h ARG 139 CO 0.17 0.15 -0.22 0.82 -1.07 0.00 0.00 179.97 179.83 1fbx h ILE 140 N 0.24 0.31 -0.94 2.04 2.04 -0.77 -1.16 117.51 119.27 1fbx h ILE 140 Ca 0.26 -0.56 0.26 0.00 1.00 0.00 0.00 64.86 65.82 1fbx h ILE 140 Cb 0.71 0.47 -0.14 0.00 -0.74 0.00 0.00 36.82 37.12 1fbx h ILE 140 CO -0.05 0.06 0.43 0.58 0.00 0.00 0.00 178.15 179.16 1fbx h VAL 141 N -1.03 0.37 0.00 1.67 2.07 -0.68 0.34 116.25 118.99 1fbx h VAL 141 Ca -0.06 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 1fbx h VAL 141 Cb 0.56 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1fbx h VAL 141 CO 0.10 0.06 -0.32 1.56 0.02 0.00 0.00 177.57 178.99 1fbx h GLN 142 N 0.34 0.00 0.11 1.57 1.08 -0.76 -2.36 115.11 115.09 1fbx h GLN 142 Ca 0.63 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.82 1fbx h GLN 142 Cb 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1fbx h GLN 142 CO -0.59 0.32 -0.05 0.35 -0.95 0.00 0.00 178.83 177.91 1fbx h PHE 143 N 0.00 -0.14 0.00 2.96 3.57 0.98 -2.39 116.94 121.92 1fbx h PHE 143 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1fbx h PHE 143 Cb 0.98 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1fbx h PHE 143 CO 0.00 0.21 0.00 1.19 -2.23 0.00 0.00 178.31 177.48 1fbx n PHE 144 N -4.99 0.64 0.09 0.41 3.72 -1.00 -2.30 117.46 114.02 1fbx n PHE 144 Ca -0.09 0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1fbx n PHE 144 Cb 0.22 -0.88 -0.04 0.00 -0.94 0.00 0.00 39.48 37.84 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 2.39 0.63 -0.37 4.37 0.00 -1.15 -3.37 119.26 121.76 1fbx h ALA 145 Ca 0.00 -0.68 -0.73 0.00 0.00 0.00 0.00 54.91 53.51 1fbx h ALA 145 Cb 0.41 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1fbx h ALA 145 CO 0.00 0.83 2.76 1.04 0.00 0.00 0.00 179.25 183.88 1fbx n GLN 146 N -3.11 3.33 -3.49 0.00 1.13 -0.92 -4.42 117.38 109.91 1fbx n GLN 146 Ca -0.03 -2.95 -0.15 0.00 -1.94 0.00 0.00 57.00 51.92 1fbx n GLN 146 Cb 0.80 -3.07 -0.04 0.00 0.11 0.00 0.00 30.24 28.04 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 1.79 1.14 0.06 -1.09 0.52 -1.16 -1.10 118.95 119.11 1fbx s ARG 147 Ca 0.47 -0.08 -0.31 0.00 -0.52 0.00 0.00 55.73 55.29 1fbx s ARG 147 Cb 0.13 0.53 -0.07 0.00 0.52 0.00 0.00 34.95 36.06 1fbx s ARG 147 CO -0.05 -0.43 1.43 -2.14 0.02 0.00 0.00 175.30 174.13 1fbx s PRO 148 N -2.34 4.29 0.40 3.54 0.02 -1.26 -4.25 135.00 135.41 1fbx s PRO 148 Ca -0.06 2.06 0.04 0.00 0.02 0.00 0.00 61.00 63.06 1fbx s PRO 148 Cb -0.00 -3.43 -0.05 0.00 0.02 0.00 0.00 34.50 31.04 1fbx s PRO 148 CO -0.00 -0.53 0.05 -0.65 -0.33 0.00 0.00 177.00 175.54 1fbx s GLN 149 N 1.83 1.91 -0.03 5.54 -1.52 0.16 -4.72 119.66 122.82 1fbx s GLN 149 Ca 0.65 -2.13 -0.01 0.00 -1.95 0.00 0.00 55.36 51.92 1fbx s GLN 149 Cb -0.35 -1.11 0.03 0.00 -0.22 0.00 0.00 33.01 31.36 1fbx s GLN 149 CO 0.29 -0.27 0.04 0.08 -0.25 0.00 0.00 175.29 175.18 1fbx s VAL 150 N -3.06 -0.03 0.33 1.09 1.01 -1.26 0.14 120.40 118.62 1fbx s VAL 150 Ca 0.26 0.30 0.10 0.00 0.00 0.00 0.00 61.98 62.64 1fbx s VAL 150 Cb 0.06 -0.17 0.32 0.00 0.00 0.00 0.00 36.38 36.59 1fbx s VAL 150 CO 0.13 0.15 1.75 -0.61 0.00 0.00 0.00 175.10 176.52 1fbx h GLN 151 N 7.94 0.58 -0.97 2.72 4.15 -2.00 -1.49 115.11 126.05 1fbx h GLN 151 Ca -0.27 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.15 1fbx h GLN 151 Cb 1.12 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.63 1fbx h GLN 151 CO 0.30 0.39 0.64 0.93 -1.93 0.00 0.00 178.83 179.15 1fbx h GLU 152 N 0.60 1.21 0.00 1.69 3.07 -2.00 -2.62 114.58 116.54 1fbx h GLU 152 Ca 0.62 -0.07 -0.20 0.00 -0.50 0.00 0.00 59.36 59.20 1fbx h GLU 152 Cb 1.18 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 1fbx h GLU 152 CO -0.42 0.80 -0.89 -0.09 -1.40 0.00 0.00 179.01 177.01 1fbx h ARG 153 N 1.25 0.23 -0.37 2.33 2.43 -1.70 -3.13 114.38 115.42 1fbx h ARG 153 Ca 0.38 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1fbx h ARG 153 Cb -0.04 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1fbx h ARG 153 CO -0.11 0.98 0.14 1.25 -1.51 0.00 0.00 179.97 180.72 1fbx h LEU 154 N 0.13 0.52 -0.24 3.80 5.85 -1.33 0.55 115.31 124.58 1fbx h LEU 154 Ca -0.05 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1fbx h LEU 154 Cb 1.52 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 1fbx h LEU 154 CO 0.14 0.55 -0.09 0.74 -0.34 0.00 0.00 178.44 179.44 1fbx h THR 155 N 0.45 0.69 -0.52 1.05 2.02 -1.52 -2.14 112.91 112.94 1fbx h THR 155 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1fbx h THR 155 Cb 0.20 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1fbx h THR 155 CO -0.01 0.00 0.29 1.56 0.37 0.00 0.00 175.52 177.74 1fbx h GLN 156 N -0.05 0.72 -0.47 6.66 1.08 -1.42 -2.72 115.11 118.91 1fbx h GLN 156 Ca 0.12 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1fbx h GLN 156 Cb 0.23 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1fbx h GLN 156 CO -0.28 0.55 0.31 1.96 -0.95 0.00 0.00 178.83 180.42 1fbx h GLN 157 N 0.70 0.61 -0.50 1.46 4.20 -0.53 -1.68 115.11 119.36 1fbx h GLN 157 Ca 0.18 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1fbx h GLN 157 Cb 0.03 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1fbx h GLN 157 CO -0.03 0.40 0.33 0.82 -0.67 0.00 0.00 178.83 179.68 1fbx h ILE 158 N 0.63 1.13 0.00 2.54 2.04 -1.32 -0.09 117.51 122.44 1fbx h ILE 158 Ca 0.18 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1fbx h ILE 158 Cb -0.05 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1fbx h ILE 158 CO -0.05 0.13 -0.00 0.25 0.00 0.00 0.00 178.15 178.47 1fbx h LEU 159 N 0.68 -0.01 -0.41 1.44 5.85 -1.12 -1.33 115.31 120.40 1fbx h LEU 159 Ca 0.18 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.96 1fbx h LEU 159 Cb -0.07 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 40.88 1fbx h LEU 159 CO -0.04 -0.01 -0.51 0.40 -0.34 0.00 0.00 178.44 177.95 1fbx h ILE 160 N -0.01 0.04 -0.95 4.05 1.08 -1.26 0.42 117.51 120.89 1fbx h ILE 160 Ca -0.00 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.74 1fbx h ILE 160 Cb 0.01 0.04 -0.14 0.00 -3.07 0.00 0.00 36.82 33.66 1fbx h ILE 160 CO -0.00 0.00 0.42 0.00 -0.69 0.00 0.00 178.15 177.88 1fbx h ALA 161 N 0.15 1.63 -0.00 1.87 0.00 -0.92 0.24 119.26 122.22 1fbx h ALA 161 Ca 0.10 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1fbx h ALA 161 Cb 0.60 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1fbx h ALA 161 CO -0.59 -0.49 -0.03 -0.07 0.00 0.00 0.00 179.25 178.07 1fbx h LEU 162 N 0.30 0.03 -1.28 0.00 3.38 0.28 -2.09 115.31 115.94 1fbx h LEU 162 Ca 0.64 -0.72 0.32 0.00 0.09 0.00 0.00 57.88 58.21 1fbx h LEU 162 Cb 1.36 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.99 1fbx h LEU 162 CO -0.61 0.75 0.69 1.56 0.09 0.00 0.00 178.44 180.92 1fbx h GLN 163 N -0.68 0.30 0.18 1.13 4.20 0.18 -0.89 115.11 119.53 1fbx h GLN 163 Ca -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1fbx h GLN 163 Cb 0.75 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1fbx h GLN 163 CO 0.01 0.20 -0.09 1.15 -0.67 0.00 0.00 178.83 179.43 1fbx h THR 164 N 0.31 0.00 -1.05 -0.54 2.02 -0.57 -2.99 112.91 110.08 1fbx h THR 164 Ca 0.69 -0.44 0.30 0.00 0.77 0.00 0.00 66.41 67.72 1fbx h THR 164 Cb 1.82 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.10 1fbx h THR 164 CO -0.40 0.00 0.64 -0.07 0.37 0.00 0.00 175.52 176.05 1fbx h LEU 165 N -0.69 0.51 0.00 2.58 3.38 -0.64 -2.44 115.31 118.02 1fbx h LEU 165 Ca -0.03 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1fbx h LEU 165 Cb 0.19 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1fbx h LEU 165 CO 0.04 -0.01 -0.84 -0.07 0.09 0.00 0.00 178.44 177.65 1fbx h LEU 166 N 0.39 0.00 0.00 1.67 3.38 -1.33 -3.49 115.31 115.93 1fbx h LEU 166 Ca 0.68 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.58 1fbx h LEU 166 Cb 1.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1fbx h LEU 166 CO -0.46 0.04 0.00 0.61 0.09 0.00 0.00 178.44 178.71 1fbx n GLY 167 N 1.23 0.65 3.46 0.83 0.00 -0.92 -4.54 105.19 105.88 1fbx n GLY 167 Ca 0.01 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 0.84 -0.52 2.61 2.01 -1.16 -4.97 115.64 112.44 1fbx s THR 168 Ca 0.00 -2.00 0.09 0.00 0.31 0.00 0.00 61.69 60.09 1fbx s THR 168 Cb 0.00 -2.58 -0.07 0.00 0.01 0.00 0.00 72.50 69.85 1fbx s THR 168 CO 0.00 0.00 0.43 0.59 -0.69 0.00 0.00 174.62 174.95 1fbx n ASN 169 N -0.91 0.60 -4.21 3.53 3.02 -1.26 -4.47 115.26 111.56 1fbx n ASN 169 Ca -0.03 -0.80 -0.41 0.00 -0.03 0.00 0.00 54.58 53.31 1fbx n ASN 169 Cb 0.66 0.87 -0.01 0.00 -0.61 0.00 0.00 39.78 40.69 1fbx n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1fbx n ASN 170 N -0.98 4.10 -4.05 6.41 3.02 -1.26 0.30 115.26 122.81 1fbx n ASN 170 Ca 0.02 -2.84 -0.08 0.00 -0.03 0.00 0.00 54.58 51.66 1fbx n ASN 170 Cb 0.15 -1.65 -0.10 0.00 -0.61 0.00 0.00 39.78 37.57 1fbx n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fbx s VAL 171 N 4.87 0.20 -0.13 2.41 1.01 -1.26 -2.19 120.40 125.31 1fbx s VAL 171 Ca 0.54 -1.62 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 1fbx s VAL 171 Cb 0.08 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 35.16 1fbx s VAL 171 CO 0.04 -0.89 0.38 0.00 0.00 0.00 0.00 175.10 174.62 1fbx s ALA 172 N -3.58 -0.93 -0.02 5.51 0.00 -0.72 0.36 121.76 122.38 1fbx s ALA 172 Ca 0.04 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1fbx s ALA 172 Cb 0.05 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1fbx s ALA 172 CO -0.09 -0.19 0.02 0.08 0.00 0.00 0.00 175.76 175.58 1fbx s VAL 173 N 0.02 0.00 0.03 0.00 1.01 -0.68 -2.05 120.40 118.73 1fbx s VAL 173 Ca -0.02 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.21 1fbx s VAL 173 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 1fbx s VAL 173 CO 0.01 0.10 -0.19 -0.55 0.00 0.00 0.00 175.10 174.47 1fbx s SER 174 N 1.05 2.30 -0.03 3.32 0.15 -0.07 -0.00 113.70 120.42 1fbx s SER 174 Ca -0.09 -0.46 -0.00 0.00 0.70 0.00 0.00 55.95 56.09 1fbx s SER 174 Cb -0.13 -0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.00 1fbx s SER 174 CO -0.03 0.16 0.02 -0.63 1.20 0.00 0.00 173.24 173.97 1fbx s ILE 175 N -0.71 0.07 -0.13 6.45 1.01 0.12 -0.67 121.20 127.34 1fbx s ILE 175 Ca 0.07 0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.93 1fbx s ILE 175 Cb -0.08 -0.21 0.02 0.00 0.01 0.00 0.00 42.46 42.19 1fbx s ILE 175 CO 0.01 0.14 -0.17 -0.62 0.00 0.00 0.00 174.94 174.30 1fbx s ASP 176 N 1.33 2.73 0.20 3.58 2.15 -0.77 -0.49 116.67 125.39 1fbx s ASP 176 Ca -0.06 -0.50 -0.14 0.00 0.43 0.00 0.00 52.55 52.28 1fbx s ASP 176 Cb -0.13 -1.24 0.01 0.00 -0.30 0.00 0.00 42.92 41.27 1fbx s ASP 176 CO -0.03 0.02 0.44 0.00 -0.17 0.00 0.00 175.17 175.44 1fbx s ALA 177 N 1.06 -0.53 -0.14 3.66 0.00 -0.49 -0.05 121.76 125.26 1fbx s ALA 177 Ca -0.04 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 1fbx s ALA 177 Cb -0.15 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1fbx s ALA 177 CO -0.04 -0.77 -0.08 0.08 0.00 0.00 0.00 175.76 174.95 1fbx s VAL 178 N -3.93 3.49 -0.33 0.00 1.01 0.37 -0.84 120.40 120.17 1fbx s VAL 178 Ca 0.14 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 1fbx s VAL 178 Cb 0.00 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1fbx s VAL 178 CO 0.00 0.51 0.23 -1.00 0.00 0.00 0.00 175.10 174.84 1fbx s HIS 179 N 0.36 3.23 -0.49 5.22 3.76 -1.26 -1.32 115.29 124.78 1fbx s HIS 179 Ca -0.07 -0.18 0.21 0.00 -0.15 0.00 0.00 55.06 54.87 1fbx s HIS 179 Cb -0.15 -2.46 0.94 0.00 1.11 0.00 0.00 32.58 32.02 1fbx s HIS 179 CO 0.04 -0.34 1.64 0.66 -0.85 0.00 0.00 174.74 175.89 1fbx n TYR 180 N 5.10 0.67 1.59 1.40 4.02 -0.87 -0.70 117.16 128.36 1fbx n TYR 180 Ca -0.13 0.29 0.15 0.00 -0.01 0.00 0.00 57.90 58.20 1fbx n TYR 180 Cb 0.50 -0.96 0.67 0.00 -0.02 0.00 0.00 39.34 39.53 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 -0.62 0.88 -0.08 0.00 0.31 0.12 -4.46 118.33 114.48 1fbx n VAL 182 Ca 0.18 -0.47 -0.09 0.00 -0.01 0.00 0.00 64.34 63.95 1fbx n VAL 182 Cb 0.26 -0.80 -0.04 0.00 -0.91 0.00 0.00 33.84 32.34 1fbx n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1fbx h LYS 183 N 0.00 0.00 0.00 5.55 3.64 -0.78 -0.97 116.57 124.00 1fbx h LYS 183 Ca -0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1fbx h LYS 183 Cb 1.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1fbx h LYS 183 CO -0.01 0.31 0.00 0.00 -2.27 0.00 0.00 179.45 177.48 1fbx n ALA 184 N -3.39 2.31 -3.52 5.00 0.00 0.12 -4.19 120.51 116.84 1fbx n ALA 184 Ca -0.12 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.11 1fbx n ALA 184 Cb 0.34 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 1fbx n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1fbx s ARG 185 N -2.64 0.75 4.56 0.00 3.00 -1.22 -4.98 118.95 118.42 1fbx s ARG 185 Ca 0.23 -0.22 0.00 0.00 -1.00 0.00 0.00 55.73 54.74 1fbx s ARG 185 Cb 0.18 0.34 0.00 0.00 0.00 0.00 0.00 34.95 35.47 1fbx s ARG 185 CO 0.42 -0.32 0.00 0.41 0.00 0.00 0.00 175.30 175.81 1fbx n GLY 186 N -0.09 1.48 0.27 8.12 0.00 -1.26 -3.47 105.19 110.23 1fbx n GLY 186 Ca -0.08 -0.78 0.14 0.00 0.00 0.00 0.00 46.02 45.30 1fbx n GLY 186 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fbx h ILE 187 N 0.00 0.34 -5.64 -0.61 6.09 -1.84 -3.47 117.51 112.39 1fbx h ILE 187 Ca 0.00 -0.62 -0.42 0.00 -1.37 0.00 0.00 64.86 62.45 1fbx h ILE 187 Cb 0.00 1.46 0.05 0.00 0.47 0.00 0.00 36.82 38.80 1fbx h ILE 187 CO 0.00 0.10 -0.68 0.54 -3.07 0.00 0.00 178.15 175.04 1fbx n ARG 188 N -3.36 -6.18 -2.34 2.19 1.74 -0.94 -4.91 116.66 102.87 1fbx n ARG 188 Ca -0.01 0.75 -0.43 0.00 -0.77 0.00 0.00 57.85 57.39 1fbx n ARG 188 Cb 0.29 -5.69 -0.02 0.00 -1.02 0.00 0.00 32.46 26.02 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 -3.12 6.36 0.00 0.55 -1.08 -0.41 -4.89 116.67 114.08 1fbx s ASP 189 Ca 0.53 0.92 0.25 0.00 -0.52 0.00 0.00 52.55 53.74 1fbx s ASP 189 Cb -0.25 -2.54 1.11 0.00 -1.46 0.00 0.00 42.92 39.78 1fbx s ASP 189 CO 0.66 -1.39 1.81 0.00 0.52 0.00 0.00 175.17 176.77 1fbx n ALA 190 N 8.72 2.17 -0.03 3.66 0.00 -1.26 -4.15 120.51 129.61 1fbx n ALA 190 Ca 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.48 1fbx n ALA 190 Cb 0.48 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.46 0.33 -1.10 0.00 -2.24 -1.26 -5.08 114.28 103.47 1fbx n THR 191 Ca 0.07 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 1fbx n THR 191 Cb 0.28 -0.75 0.13 0.00 -2.10 0.00 0.00 70.33 67.88 1fbx n THR 191 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1fbx n SER 192 N -2.56 0.90 -4.09 3.42 3.41 -1.26 -5.06 113.62 108.38 1fbx n SER 192 Ca -0.10 0.58 -0.10 0.00 -0.26 0.00 0.00 58.87 58.99 1fbx n SER 192 Cb 0.62 -1.49 -0.09 0.00 -0.26 0.00 0.00 64.21 62.99 1fbx n SER 192 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fbx s ALA 193 N -2.12 0.59 -0.07 7.33 0.00 -1.26 -4.80 121.76 121.43 1fbx s ALA 193 Ca 0.73 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 51.43 1fbx s ALA 193 Cb -0.29 0.97 0.00 0.00 0.00 0.00 0.00 23.12 23.80 1fbx s ALA 193 CO 0.51 -0.58 -0.19 0.99 0.00 0.00 0.00 175.76 176.50 1fbx s THR 194 N -4.04 1.64 -0.18 0.00 2.01 -0.02 -4.95 115.64 110.09 1fbx s THR 194 Ca 0.25 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 1fbx s THR 194 Cb 0.06 -1.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 1fbx s THR 194 CO 0.04 0.47 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.44 1fbx s THR 195 N 0.27 3.00 0.06 -0.82 2.01 -1.26 -1.40 115.64 117.50 1fbx s THR 195 Ca -0.11 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.33 1fbx s THR 195 Cb -0.15 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1fbx s THR 195 CO 0.05 0.48 -0.24 0.42 -0.69 0.00 0.00 174.62 174.65 1fbx s THR 196 N 1.04 1.91 -0.05 -0.82 -4.23 0.35 -4.96 115.64 108.88 1fbx s THR 196 Ca -0.01 -1.36 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 1fbx s THR 196 Cb -0.15 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 72.05 1fbx s THR 196 CO -0.02 0.23 0.13 0.42 -0.54 0.00 0.00 174.62 174.84 1fbx s THR 197 N -0.86 -0.01 -0.20 3.99 -4.23 -1.26 0.14 115.64 113.21 1fbx s THR 197 Ca 0.10 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 1fbx s THR 197 Cb -0.09 -0.19 0.05 0.00 1.34 0.00 0.00 72.50 73.60 1fbx s THR 197 CO 0.02 0.01 -0.08 -0.44 -0.54 0.00 0.00 174.62 173.60 1fbx s SER 198 N 0.27 3.45 -0.24 3.99 0.01 1.00 -4.98 113.70 117.20 1fbx s SER 198 Ca -0.02 -0.94 -0.13 0.00 1.31 0.00 0.00 55.95 56.17 1fbx s SER 198 Cb -0.03 -1.17 -0.04 0.00 0.21 0.00 0.00 66.02 64.98 1fbx s SER 198 CO -0.01 -0.18 0.28 -0.76 0.41 0.00 0.00 173.24 172.98 1fbx s LEU 199 N 1.43 4.09 0.56 2.44 1.43 -1.26 -1.69 118.68 125.68 1fbx s LEU 199 Ca -0.02 0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.41 1fbx s LEU 199 Cb -0.17 -2.29 0.07 0.00 0.03 0.00 0.00 46.19 43.83 1fbx s LEU 199 CO -0.07 -0.05 0.68 -0.83 0.23 0.00 0.00 176.35 176.30 1fbx s GLY 200 N 1.29 1.92 0.00 -3.19 0.00 0.16 -4.40 107.32 103.09 1fbx s GLY 200 Ca 0.12 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.95 1fbx s GLY 200 CO 0.08 -1.76 0.00 0.61 0.00 0.00 0.00 173.10 172.03 1fbx n GLY 201 N -2.10 1.12 0.24 0.20 0.00 0.88 -1.34 105.19 104.18 1fbx n GLY 201 Ca 0.11 -0.14 0.16 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -1.26 0.99 3.38 -1.93 -0.14 115.31 116.34 1fbx h LEU 202 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1fbx h LEU 202 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1fbx h LEU 202 CO 0.00 0.00 -0.35 -0.26 0.09 0.00 0.00 178.44 177.92 1fbx h PHE 203 N 0.00 0.03 0.05 1.13 0.04 -1.50 0.45 116.94 117.13 1fbx h PHE 203 Ca 0.00 -0.01 -0.37 0.00 2.80 0.00 0.00 57.97 60.39 1fbx h PHE 203 Cb 0.05 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.14 1fbx h PHE 203 CO 0.00 0.38 -2.21 1.17 -0.60 0.00 0.00 178.31 177.05 1fbx n LYS 204 N -4.12 0.69 -0.01 1.51 4.81 -0.12 -4.22 118.16 116.70 1fbx n LYS 204 Ca -0.02 0.19 -0.19 0.00 -0.87 0.00 0.00 58.31 57.42 1fbx n LYS 204 Cb 0.39 -1.62 -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 0.03 0.26 -2.80 3.14 4.64 -1.38 -3.44 113.55 113.99 1fbx h SER 205 Ca -0.49 -0.88 -0.57 0.00 -0.47 0.00 0.00 61.79 59.38 1fbx h SER 205 Cb 2.00 -0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 63.91 1fbx h SER 205 CO 0.01 1.36 0.85 -0.55 -0.87 0.00 0.00 176.83 177.63 1fbx s SER 206 N -6.77 6.27 0.60 4.97 0.15 0.16 -4.89 113.70 114.18 1fbx s SER 206 Ca -0.19 -0.38 0.29 0.00 0.70 0.00 0.00 55.95 56.37 1fbx s SER 206 Cb 0.01 -2.51 1.40 0.00 -1.71 0.00 0.00 66.02 63.22 1fbx s SER 206 CO 0.74 -1.56 1.80 -0.61 1.20 0.00 0.00 173.24 174.82 1fbx h GLN 207 N 9.68 0.00 0.06 5.44 5.75 -1.86 -0.49 115.11 133.69 1fbx h GLN 207 Ca -0.27 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.23 1fbx h GLN 207 Cb 1.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.61 1fbx h GLN 207 CO 1.20 0.00 -0.03 -0.97 -2.65 0.00 0.00 178.83 176.38 1fbx h ASN 208 N 0.00 -0.07 -0.13 -0.69 -1.24 -1.90 -3.11 115.58 108.45 1fbx h ASN 208 Ca 0.25 -0.52 -0.04 0.00 0.71 0.00 0.00 56.30 56.70 1fbx h ASN 208 Cb 1.45 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 40.50 1fbx h ASN 208 CO -0.00 0.63 -0.03 0.74 -1.29 0.00 0.00 177.43 177.48 1fbx h THR 209 N -0.92 1.17 0.11 -3.57 2.02 -1.59 -2.80 112.91 107.32 1fbx h THR 209 Ca -0.01 -0.68 0.01 0.00 0.77 0.00 0.00 66.41 66.50 1fbx h THR 209 Cb 0.58 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1fbx h THR 209 CO 0.01 0.23 -0.17 -0.09 0.37 0.00 0.00 175.52 175.87 1fbx h ARG 210 N 0.37 -0.33 -0.24 6.66 2.43 -1.22 -2.68 114.38 119.37 1fbx h ARG 210 Ca 0.08 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 1fbx h ARG 210 Cb 0.29 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1fbx h ARG 210 CO 0.01 -0.22 -0.35 0.45 -1.51 0.00 0.00 179.97 178.35 1fbx h HIS 211 N -0.34 0.59 -0.15 2.20 3.86 -1.44 -1.37 115.15 118.51 1fbx h HIS 211 Ca 0.02 -0.15 0.04 0.00 -1.16 0.00 0.00 60.37 59.12 1fbx h HIS 211 Cb 0.36 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 1fbx h HIS 211 CO -0.17 0.79 -0.11 0.93 0.86 0.00 0.00 177.93 180.23 1fbx h GLU 212 N 0.43 -0.11 -0.05 2.45 5.08 -1.37 0.67 114.58 121.68 1fbx h GLU 212 Ca 0.05 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1fbx h GLU 212 Cb 0.81 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1fbx h GLU 212 CO 0.07 -0.07 0.03 0.35 -1.00 0.00 0.00 179.01 178.38 1fbx h PHE 213 N -0.11 0.07 0.00 4.33 3.57 -1.31 -1.67 116.94 121.82 1fbx h PHE 213 Ca 0.09 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1fbx h PHE 213 Cb 0.25 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1fbx h PHE 213 CO -0.24 0.13 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.74 1fbx h LEU 214 N 0.00 0.00 -0.20 0.59 3.38 -0.82 -1.96 115.31 116.31 1fbx h LEU 214 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1fbx h LEU 214 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1fbx h LEU 214 CO -0.00 0.16 -0.02 -0.09 0.09 0.00 0.00 178.44 178.57 1fbx h ARG 215 N 0.00 0.36 0.00 1.13 2.43 0.74 -2.87 114.38 116.18 1fbx h ARG 215 Ca -0.00 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1fbx h ARG 215 Cb 0.28 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1fbx h ARG 215 CO 0.02 0.59 0.00 0.00 -1.51 0.00 0.00 179.97 179.07 1fbx n ALA 216 N -2.35 2.12 -2.27 2.80 0.00 -0.67 -4.81 120.51 115.33 1fbx n ALA 216 Ca -0.05 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 1fbx n ALA 216 Cb 0.25 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 1fbx n ALA 216 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1fbx s VAL 217 N -2.00 4.84 -0.05 0.00 1.01 -1.00 -4.65 120.40 118.54 1fbx s VAL 217 Ca 0.25 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 62.75 1fbx s VAL 217 Cb 0.11 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1fbx s VAL 217 CO 0.19 -0.39 0.05 -1.14 0.00 0.00 0.00 175.10 173.81 1fbx n ARG 218 N -0.98 -0.11 -3.27 2.72 3.00 -1.26 -5.01 116.66 111.75 1fbx n ARG 218 Ca 0.01 0.58 -0.36 0.00 -0.00 0.00 0.00 57.85 58.08 1fbx n ARG 218 Cb 0.54 -1.81 -0.03 0.00 0.00 0.00 0.00 32.46 31.15 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 -0.98 3.20 -1.55 -0.14 8.25 -1.26 -5.00 115.22 117.75 1fbx n HIS 219 Ca 0.00 -3.44 -0.15 0.00 -0.26 0.00 0.00 57.72 53.87 1fbx n HIS 219 Cb 0.43 -1.02 -0.11 0.00 1.12 0.00 0.00 29.99 30.42 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 1.39 0.91 -0.54 4.41 -0.00 -1.26 -4.84 115.22 115.28 1fbx n HIS 220 Ca 0.26 -0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.43 1fbx n HIS 220 Cb 0.37 -2.16 0.00 0.00 -0.12 0.00 0.00 29.99 28.08 1fbx n HIS 220 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89