#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 -4.40 3.54 2.88 -1.26 -5.17 113.62 109.22 1fbx n SER 2 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1fbx n SER 2 Cb 0.00 0.34 -0.10 0.00 -0.75 0.00 0.00 64.21 63.70 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 -4.08 2.23 0.24 2.46 1.43 -1.26 -4.72 118.68 114.98 1fbx s LEU 3 Ca 0.00 -1.28 0.06 0.00 -1.03 0.00 0.00 54.13 51.88 1fbx s LEU 3 Cb 0.00 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.80 1fbx s LEU 3 CO 0.00 -0.52 0.24 -0.94 0.23 0.00 0.00 176.35 175.36 1fbx s SER 4 N -3.41 5.75 0.06 2.29 1.04 -1.26 -4.95 113.70 113.21 1fbx s SER 4 Ca 0.32 -0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.43 1fbx s SER 4 Cb 0.07 -1.53 -0.07 0.00 0.10 0.00 0.00 66.02 64.58 1fbx s SER 4 CO 0.12 -0.04 1.28 0.11 0.98 0.00 0.00 173.24 175.69 1fbx h LYS 5 N 1.45 -0.32 -0.52 4.02 1.57 -2.02 0.31 116.57 121.06 1fbx h LYS 5 Ca -0.49 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.38 1fbx h LYS 5 Cb 1.23 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.56 1fbx h LYS 5 CO 0.61 -0.21 0.20 0.93 -0.57 0.00 0.00 179.45 180.40 1fbx h GLU 6 N -0.33 0.37 0.36 3.15 3.07 -1.97 0.22 114.58 119.45 1fbx h GLU 6 Ca 0.01 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1fbx h GLU 6 Cb 0.36 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 1fbx h GLU 6 CO -0.18 0.24 -0.49 0.00 -1.40 0.00 0.00 179.01 177.18 1fbx h ALA 7 N 1.34 -1.09 -0.14 3.43 0.00 -1.81 0.85 119.26 121.84 1fbx h ALA 7 Ca 0.25 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1fbx h ALA 7 Cb 0.26 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1fbx h ALA 7 CO -0.25 -1.15 -0.49 0.00 0.00 0.00 0.00 179.25 177.37 1fbx h ALA 8 N -0.83 -0.84 -0.99 0.00 0.00 0.14 -0.25 119.26 116.49 1fbx h ALA 8 Ca -0.04 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1fbx h ALA 8 Cb 0.80 0.98 -0.14 0.00 0.00 0.00 0.00 17.79 19.44 1fbx h ALA 8 CO -0.13 -1.02 -0.50 1.28 0.00 0.00 0.00 179.25 178.88 1fbx n LEU 9 N -5.11 -0.89 0.35 0.00 4.77 0.72 -1.57 117.00 115.27 1fbx n LEU 9 Ca -0.05 1.75 -0.18 0.00 -0.03 0.00 0.00 56.01 57.50 1fbx n LEU 9 Cb 0.33 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 1fbx n LEU 9 CO 0.07 -1.49 0.53 0.58 -1.33 0.00 0.00 177.39 175.75 1fbx h VAL 10 N 0.00 0.00 -1.25 4.08 2.07 -0.04 -1.65 116.25 119.47 1fbx h VAL 10 Ca 0.24 0.00 0.36 0.00 0.82 0.00 0.00 66.70 68.12 1fbx h VAL 10 Cb 0.48 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 1fbx h VAL 10 CO -0.96 0.00 0.86 -0.74 0.02 0.00 0.00 177.57 176.76 1fbx h HIS 11 N -1.06 0.24 0.27 1.57 -0.00 -0.51 -1.01 115.15 114.65 1fbx h HIS 11 Ca -0.08 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 1fbx h HIS 11 Cb 0.88 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.23 1fbx h HIS 11 CO -0.16 -0.01 -0.13 0.93 -0.00 0.00 0.00 177.93 178.55 1fbx h GLU 12 N 0.11 -0.35 -0.97 5.26 5.08 -0.89 -2.66 114.58 120.17 1fbx h GLU 12 Ca 0.64 0.02 0.24 0.00 -1.00 0.00 0.00 59.36 59.27 1fbx h GLU 12 Cb 2.27 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 31.52 1fbx h GLU 12 CO -0.14 -0.04 0.64 0.00 -1.00 0.00 0.00 179.01 178.47 1fbx h ALA 13 N -0.68 2.29 -0.01 3.43 0.00 -0.26 0.46 119.26 124.49 1fbx h ALA 13 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1fbx h ALA 13 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1fbx h ALA 13 CO 0.06 -0.62 -0.02 -0.07 0.00 0.00 0.00 179.25 178.60 1fbx h LEU 14 N 0.37 0.04 -1.82 0.00 3.38 -1.38 -1.85 115.31 114.05 1fbx h LEU 14 Ca 0.52 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1fbx h LEU 14 Cb 1.38 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1fbx h LEU 14 CO -0.21 0.56 0.06 0.58 0.09 0.00 0.00 178.44 179.53 1fbx h VAL 15 N -0.48 1.05 -0.37 1.22 2.07 -0.67 0.25 116.25 119.33 1fbx h VAL 15 Ca 0.00 -0.15 -0.15 0.00 0.82 0.00 0.00 66.70 67.23 1fbx h VAL 15 Cb 0.55 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1fbx h VAL 15 CO 0.00 0.06 -0.35 0.00 0.02 0.00 0.00 177.57 177.30 1fbx h ALA 16 N 1.89 0.67 -0.17 1.67 0.00 -0.04 -2.65 119.26 120.63 1fbx h ALA 16 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1fbx h ALA 16 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1fbx h ALA 16 CO -0.01 0.67 0.00 0.54 0.00 0.00 0.00 179.25 180.45 1fbx n ARG 17 N -4.06 1.80 -3.59 0.00 3.00 -0.54 -4.94 116.66 108.32 1fbx n ARG 17 Ca -0.02 -1.19 -0.23 0.00 -0.01 0.00 0.00 57.85 56.40 1fbx n ARG 17 Cb 0.52 -1.41 0.08 0.00 0.00 0.00 0.00 32.46 31.65 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 1.17 -0.51 0.24 -0.13 0.00 0.73 -4.91 105.19 101.78 1fbx n GLY 18 Ca 0.17 0.23 0.02 0.00 0.00 0.00 0.00 46.02 46.43 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 -4.83 2.33 -4.78 0.99 4.77 -0.24 -5.00 117.00 110.23 1fbx n LEU 19 Ca -0.05 -1.99 -0.36 0.00 -0.03 0.00 0.00 56.01 53.58 1fbx n LEU 19 Cb 0.58 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1fbx n LEU 19 CO 0.65 0.58 0.77 -1.61 -1.33 0.00 0.00 177.39 176.45 1fbx s GLU 20 N -0.99 3.88 0.27 3.23 0.41 -1.25 -4.82 118.70 119.43 1fbx s GLU 20 Ca 0.09 1.60 -0.31 0.00 -0.41 0.00 0.00 54.97 55.94 1fbx s GLU 20 Cb 0.04 -2.37 -0.12 0.00 -1.78 0.00 0.00 34.13 29.90 1fbx s GLU 20 CO 0.06 -0.40 1.64 2.41 -0.49 0.00 0.00 175.26 178.47 1fbx n THR 21 N -0.47 0.75 -1.51 3.63 -1.04 -1.26 -4.81 114.28 109.57 1fbx n THR 21 Ca 0.07 -0.19 -0.45 0.00 -2.04 0.00 0.00 64.05 61.44 1fbx n THR 21 Cb 0.50 -1.98 -0.06 0.00 -1.82 0.00 0.00 70.33 66.97 1fbx n THR 21 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1fbx n PRO 22 N 2.63 1.28 -4.17 -2.82 -0.02 -1.26 -4.95 135.00 125.70 1fbx n PRO 22 Ca 0.10 0.30 -0.17 0.00 -2.02 0.00 0.00 63.50 61.71 1fbx n PRO 22 Cb 0.36 -2.81 -0.12 0.00 -0.02 0.00 0.00 33.50 30.92 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 8.56 2.31 -0.07 2.45 1.02 -1.26 -5.14 118.68 126.54 1fbx s LEU 23 Ca 1.07 -0.66 0.03 0.00 0.02 0.00 0.00 54.13 54.59 1fbx s LEU 23 Cb -0.61 -0.44 -0.02 0.00 0.02 0.00 0.00 46.19 45.14 1fbx s LEU 23 CO 0.41 -0.13 -0.14 -0.13 0.02 0.00 0.00 176.35 176.38 1fbx s ARG 24 N -1.97 2.75 0.23 1.70 0.52 -1.26 -5.09 118.95 115.83 1fbx s ARG 24 Ca -0.01 -0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 54.21 1fbx s ARG 24 Cb -0.08 -2.45 -0.16 0.00 0.52 0.00 0.00 34.95 32.78 1fbx s ARG 24 CO 0.02 0.51 0.85 -2.30 0.02 0.00 0.00 175.30 174.39 1fbx n PRO 25 N 2.66 0.75 0.09 3.54 -0.02 -1.26 -4.74 135.00 136.03 1fbx n PRO 25 Ca -0.17 0.26 0.03 0.00 -2.02 0.00 0.00 63.50 61.60 1fbx n PRO 25 Cb 0.52 -1.52 0.16 0.00 -0.02 0.00 0.00 33.50 32.65 1fbx n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1fbx n PRO 26 N 1.00 0.04 0.00 0.52 -0.02 -1.26 -4.82 135.00 130.47 1fbx n PRO 26 Ca 0.14 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1fbx n PRO 26 Cb 0.27 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 -1.67 0.00 -4.64 -1.45 0.31 -1.26 -4.68 118.33 104.94 1fbx n VAL 27 Ca -0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.01 1fbx n VAL 27 Cb 0.34 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.15 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 2.64 -0.70 3.52 -3.43 -1.26 -5.04 115.29 111.02 1fbx s HIS 28 Ca 0.00 -0.20 -0.25 0.00 -0.80 0.00 0.00 55.06 53.81 1fbx s HIS 28 Cb 0.00 -1.51 -0.13 0.00 -1.43 0.00 0.00 32.58 29.51 1fbx s HIS 28 CO 0.00 0.27 2.42 0.39 -2.00 0.00 0.00 174.74 175.82 1fbx n GLU 29 N 1.62 0.68 -3.99 -0.38 1.02 -1.26 -4.91 120.64 113.42 1fbx n GLU 29 Ca -0.16 -0.46 -0.35 0.00 -0.02 0.00 0.00 57.16 56.17 1fbx n GLU 29 Cb 0.52 -3.36 -0.12 0.00 -0.02 0.00 0.00 31.44 28.46 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 8.59 3.68 0.33 3.49 -2.45 -1.26 -5.08 119.30 126.60 1fbx s MET 30 Ca 0.99 -0.48 -0.27 0.00 -1.25 0.00 0.00 55.69 54.67 1fbx s MET 30 Cb -0.24 -3.16 -0.13 0.00 1.25 0.00 0.00 34.83 32.56 1fbx s MET 30 CO 0.19 0.00 1.11 -3.47 1.05 0.00 0.00 175.02 173.90 1fbx n ASP 31 N 4.31 1.80 -0.22 1.11 2.03 -1.26 -4.86 116.55 119.45 1fbx n ASP 31 Ca -0.17 1.16 -0.08 0.00 0.52 0.00 0.00 54.79 56.23 1fbx n ASP 31 Cb 0.52 -1.37 0.03 0.00 -0.72 0.00 0.00 41.12 39.58 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 2.09 0.91 0.06 1.67 2.35 -2.00 -2.26 115.58 118.40 1fbx h ASN 32 Ca -0.43 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.10 1fbx h ASN 32 Cb 1.32 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 39.45 1fbx h ASN 32 CO 0.60 0.88 -0.05 -0.33 -1.65 0.00 0.00 177.43 176.89 1fbx h GLU 33 N 0.89 0.00 -0.15 0.81 5.08 -2.00 -0.97 114.58 118.24 1fbx h GLU 33 Ca 0.20 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 1fbx h GLU 33 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1fbx h GLU 33 CO -0.00 0.05 -0.39 1.15 -1.00 0.00 0.00 179.01 178.81 1fbx h THR 34 N 0.00 1.35 -0.49 1.13 2.02 -1.80 -2.67 112.91 112.46 1fbx h THR 34 Ca -0.00 -1.66 0.02 0.00 0.77 0.00 0.00 66.41 65.53 1fbx h THR 34 Cb 0.09 2.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1fbx h THR 34 CO 0.01 0.50 0.30 0.03 0.37 0.00 0.00 175.52 176.73 1fbx h ARG 35 N 0.15 0.60 0.20 6.66 3.08 -0.79 -2.23 114.38 122.05 1fbx h ARG 35 Ca -0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1fbx h ARG 35 Cb 1.00 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 1fbx h ARG 35 CO 0.08 0.39 -0.30 0.87 -1.07 0.00 0.00 179.97 179.94 1fbx h LYS 36 N 0.61 -0.51 -1.00 0.04 1.57 -1.17 -0.24 116.57 115.87 1fbx h LYS 36 Ca 0.19 0.04 0.24 0.00 -1.87 0.00 0.00 60.65 59.24 1fbx h LYS 36 Cb -0.02 0.12 -0.12 0.00 0.08 0.00 0.00 32.23 32.29 1fbx h LYS 36 CO -0.07 -0.34 0.59 0.66 -0.57 0.00 0.00 179.45 179.72 1fbx h SER 37 N -0.53 0.68 0.20 0.86 4.64 -1.45 0.89 113.55 118.84 1fbx h SER 37 Ca -0.02 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1fbx h SER 37 Cb 0.49 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1fbx h SER 37 CO -0.09 0.12 -0.10 -0.07 -0.87 0.00 0.00 176.83 175.83 1fbx h LEU 38 N 0.60 -0.23 -0.77 5.97 3.38 -0.98 0.34 115.31 123.63 1fbx h LEU 38 Ca 0.64 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.58 1fbx h LEU 38 Cb 1.18 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 1fbx h LEU 38 CO -0.47 -0.06 0.46 0.40 0.09 0.00 0.00 178.44 178.87 1fbx h ILE 39 N -0.38 1.02 -0.99 1.22 2.04 0.79 0.42 117.51 121.64 1fbx h ILE 39 Ca -0.03 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.57 1fbx h ILE 39 Cb 0.29 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 1fbx h ILE 39 CO 0.05 0.16 0.65 0.00 0.00 0.00 0.00 178.15 179.00 1fbx h ALA 40 N 1.37 1.28 -0.25 1.87 0.00 0.13 0.28 119.26 123.95 1fbx h ALA 40 Ca 0.34 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1fbx h ALA 40 Cb 0.16 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1fbx h ALA 40 CO -0.17 0.58 -0.40 0.78 0.00 0.00 0.00 179.25 180.04 1fbx h GLY 41 N 1.28 0.78 1.21 0.00 0.00 0.86 -1.11 103.07 106.09 1fbx h GLY 41 Ca 0.38 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1fbx h GLY 41 CO -0.11 0.79 0.38 0.45 0.00 0.00 0.00 176.54 178.06 1fbx h HIS 42 N 0.44 1.02 -0.42 5.60 -0.00 -0.39 -1.47 115.15 119.93 1fbx h HIS 42 Ca 0.02 -0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.32 1fbx h HIS 42 Cb 1.00 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 28.07 1fbx h HIS 42 CO 0.08 0.72 0.08 0.52 -0.00 0.00 0.00 177.93 179.33 1fbx h MET 43 N 1.03 0.69 -0.94 2.45 2.86 -0.26 -2.23 114.93 118.54 1fbx h MET 43 Ca 0.26 -0.18 0.18 0.00 -2.06 0.00 0.00 59.70 57.89 1fbx h MET 43 Cb 0.06 -0.08 -0.10 0.00 0.06 0.00 0.00 31.60 31.53 1fbx h MET 43 CO -0.04 0.72 0.53 1.15 1.06 0.00 0.00 176.91 180.33 1fbx h THR 44 N 0.55 0.69 0.51 2.22 2.02 -0.49 0.33 112.91 118.74 1fbx h THR 44 Ca 0.13 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1fbx h THR 44 Cb 0.36 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1fbx h THR 44 CO 0.01 0.12 -0.25 -0.33 0.37 0.00 0.00 175.52 175.44 1fbx h GLU 45 N 0.68 -0.67 -0.06 6.66 4.39 -0.72 -2.14 114.58 122.73 1fbx h GLU 45 Ca 0.53 0.05 0.04 0.00 0.34 0.00 0.00 59.36 60.32 1fbx h GLU 45 Cb 0.82 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.58 1fbx h GLU 45 CO -0.39 -0.44 -0.20 0.82 -1.16 0.00 0.00 179.01 177.64 1fbx h ILE 46 N -0.69 0.51 -0.96 3.13 2.04 -0.74 -0.28 117.51 120.52 1fbx h ILE 46 Ca -0.07 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.01 1fbx h ILE 46 Cb 0.53 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 1fbx h ILE 46 CO 0.11 0.00 0.62 0.24 0.00 0.00 0.00 178.15 179.13 1fbx h MET 47 N -0.29 0.45 0.08 2.37 2.86 -0.93 -0.13 114.93 119.33 1fbx h MET 47 Ca 0.08 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1fbx h MET 47 Cb 0.40 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1fbx h MET 47 CO -0.23 0.30 -0.04 1.96 1.06 0.00 0.00 176.91 179.97 1fbx h GLN 48 N 0.47 -0.10 0.00 1.72 4.20 -0.46 -2.35 115.11 118.59 1fbx h GLN 48 Ca 0.52 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.23 1fbx h GLN 48 Cb 1.21 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1fbx h GLN 48 CO -0.24 0.36 0.17 1.28 -0.67 0.00 0.00 178.83 179.74 1fbx n LEU 49 N -4.91 0.00 -0.71 1.46 4.77 -0.13 0.18 117.00 117.67 1fbx n LEU 49 Ca -0.08 0.32 0.10 0.00 -0.03 0.00 0.00 56.01 56.32 1fbx n LEU 49 Cb 0.26 -0.32 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1fbx n LEU 49 CO 0.32 -0.32 0.48 0.18 -1.33 0.00 0.00 177.39 176.71 1fbx n LEU 50 N -1.32 2.45 -1.20 2.23 4.77 -0.80 -4.98 117.00 118.16 1fbx n LEU 50 Ca 0.00 -0.91 -0.08 0.00 -0.03 0.00 0.00 56.01 54.99 1fbx n LEU 50 Cb 0.17 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1fbx n LEU 50 CO 0.00 0.43 -0.01 0.59 -1.33 0.00 0.00 177.39 177.07 1fbx n ASN 51 N 0.74 -3.15 -4.70 -1.43 3.02 0.48 -5.02 115.26 105.21 1fbx n ASN 51 Ca 0.11 -0.09 -0.37 0.00 -0.03 0.00 0.00 54.58 54.19 1fbx n ASN 51 Cb 0.49 -2.12 -0.07 0.00 -0.61 0.00 0.00 39.78 37.47 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 -2.68 4.21 -1.02 3.41 1.43 -0.92 -4.99 118.68 118.13 1fbx s LEU 52 Ca 0.10 0.56 -0.24 0.00 -1.03 0.00 0.00 54.13 53.52 1fbx s LEU 52 Cb -0.04 -2.49 -0.09 0.00 0.03 0.00 0.00 46.19 43.59 1fbx s LEU 52 CO 0.12 0.00 2.01 -0.62 0.23 0.00 0.00 176.35 178.09 1fbx s ASP 53 N 0.77 4.80 0.51 2.29 2.15 -1.26 -4.60 116.67 121.32 1fbx s ASP 53 Ca 0.19 -1.01 0.24 0.00 0.43 0.00 0.00 52.55 52.40 1fbx s ASP 53 Cb -0.14 -2.57 1.29 0.00 -0.30 0.00 0.00 42.92 41.19 1fbx s ASP 53 CO 0.07 -3.20 1.69 -0.07 -0.17 0.00 0.00 175.17 173.49 1fbx h LEU 54 N 18.77 0.00 -1.16 -1.34 3.38 -1.93 -0.14 115.31 132.89 1fbx h LEU 54 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1fbx h LEU 54 Cb 0.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1fbx h LEU 54 CO 1.17 0.00 0.08 0.00 0.09 0.00 0.00 178.44 179.78 1fbx h ALA 55 N 1.37 1.32 -1.39 1.53 0.00 -1.91 -3.27 119.26 116.90 1fbx h ALA 55 Ca 0.00 -0.19 -0.67 0.00 0.00 0.00 0.00 54.91 54.04 1fbx h ALA 55 Cb 0.56 -0.18 0.09 0.00 0.00 0.00 0.00 17.79 18.26 1fbx h ALA 55 CO 0.00 0.48 -0.08 -3.47 0.00 0.00 0.00 179.25 176.18 1fbx n ASP 56 N -4.29 0.17 0.21 0.00 2.03 -0.07 -4.78 116.55 109.83 1fbx n ASP 56 Ca 0.03 1.15 0.14 0.00 0.52 0.00 0.00 54.79 56.62 1fbx n ASP 56 Cb 0.23 -1.08 0.74 0.00 -0.72 0.00 0.00 41.12 40.29 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 2.24 0.00 0.00 1.67 2.03 -1.90 -2.15 116.42 118.31 1fbx h ASP 57 Ca -0.39 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.81 1fbx h ASP 57 Cb 1.39 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.87 1fbx h ASP 57 CO 0.63 0.00 -1.76 -0.24 -1.03 0.00 0.00 179.24 176.84 1fbx n SER 58 N -2.47 1.72 -0.47 4.15 2.88 -1.26 -4.46 113.62 113.71 1fbx n SER 58 Ca -0.02 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.65 1fbx n SER 58 Cb 0.08 1.30 0.27 0.00 -0.75 0.00 0.00 64.21 65.12 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 -2.21 1.69 -0.08 2.46 4.77 -1.06 -4.25 117.00 118.32 1fbx n LEU 59 Ca -0.11 -0.55 -0.10 0.00 -0.03 0.00 0.00 56.01 55.22 1fbx n LEU 59 Cb 0.61 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.71 1fbx n LEU 59 CO 0.29 0.30 0.62 -0.03 -1.33 0.00 0.00 177.39 177.24 1fbx h MET 60 N 2.31 0.78 0.00 3.23 4.05 -1.45 -3.22 114.93 120.62 1fbx h MET 60 Ca 0.00 -0.37 -0.11 0.00 -0.28 0.00 0.00 59.70 58.94 1fbx h MET 60 Cb 0.64 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 1fbx h MET 60 CO 0.00 0.99 -0.86 0.93 0.23 0.00 0.00 176.91 178.20 1fbx h GLU 61 N 0.65 0.00 -0.95 0.39 4.39 -1.85 -3.39 114.58 113.82 1fbx h GLU 61 Ca 0.07 0.00 0.27 0.00 0.34 0.00 0.00 59.36 60.04 1fbx h GLU 61 Cb 0.87 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.35 1fbx h GLU 61 CO 0.08 0.32 0.11 1.15 -1.16 0.00 0.00 179.01 179.50 1fbx h THR 62 N 0.00 0.10 -0.36 1.13 2.02 -1.76 -0.26 112.91 113.79 1fbx h THR 62 Ca -0.06 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 67.16 1fbx h THR 62 Cb 1.38 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.77 1fbx h THR 62 CO 0.04 0.01 0.01 -0.65 0.37 0.00 0.00 175.52 175.30 1fbx h PRO 63 N 0.05 0.11 -0.60 6.66 0.11 -1.79 -0.74 132.00 135.81 1fbx h PRO 63 Ca 0.60 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.64 1fbx h PRO 63 Cb 1.26 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1fbx h PRO 63 CO -0.84 0.07 0.12 1.25 -0.21 0.00 0.00 178.00 178.39 1fbx h HIS 64 N 0.11 1.03 -0.43 0.65 -0.00 -1.33 -2.41 115.15 112.77 1fbx h HIS 64 Ca 0.17 -0.13 -0.03 0.00 -0.00 0.00 0.00 60.37 60.38 1fbx h HIS 64 Cb 0.24 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.34 1fbx h HIS 64 CO -0.24 0.88 0.16 0.00 -0.00 0.00 0.00 177.93 178.73 1fbx h ARG 65 N 0.88 0.64 -0.99 5.26 3.08 -1.03 0.68 114.38 122.90 1fbx h ARG 65 Ca 0.18 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.14 1fbx h ARG 65 Cb 0.39 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 1fbx h ARG 65 CO 0.01 0.61 0.65 0.82 -1.07 0.00 0.00 179.97 180.99 1fbx h ILE 66 N 0.55 1.20 0.03 2.04 2.04 -1.10 0.11 117.51 122.37 1fbx h ILE 66 Ca 0.14 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1fbx h ILE 66 Cb 0.21 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1fbx h ILE 66 CO -0.01 0.23 -0.01 0.00 0.00 0.00 0.00 178.15 178.36 1fbx h ALA 67 N 1.39 -0.04 0.44 1.87 0.00 -0.77 -1.30 119.26 120.85 1fbx h ALA 67 Ca 0.39 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1fbx h ALA 67 Cb -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1fbx h ALA 67 CO -0.11 -0.46 -0.32 -0.22 0.00 0.00 0.00 179.25 178.14 1fbx h LYS 68 N -0.16 -0.71 -0.59 0.00 3.64 0.94 -3.06 116.57 116.61 1fbx h LYS 68 Ca -0.00 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1fbx h LYS 68 Cb 0.15 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 32.02 1fbx h LYS 68 CO 0.01 -0.47 -0.40 1.98 -2.27 0.00 0.00 179.45 178.29 1fbx h MET 69 N -0.74 -0.19 -0.70 1.90 4.05 -0.69 0.14 114.93 118.69 1fbx h MET 69 Ca -0.04 0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.53 1fbx h MET 69 Cb 0.63 0.04 -0.10 0.00 -0.80 0.00 0.00 31.60 31.38 1fbx h MET 69 CO 0.01 -0.13 0.22 1.88 0.23 0.00 0.00 176.91 179.12 1fbx h TYR 70 N -0.20 0.36 0.00 1.39 -1.99 -1.19 0.17 116.97 115.51 1fbx h TYR 70 Ca 0.20 0.04 -0.16 0.00 2.00 0.00 0.00 58.73 60.81 1fbx h TYR 70 Cb 0.56 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.22 1fbx h TYR 70 CO -0.69 -0.00 -0.86 0.28 -0.00 0.00 0.00 178.16 176.88 1fbx h VAL 71 N 0.34 1.18 0.00 -2.88 2.07 -1.23 -2.53 116.25 113.21 1fbx h VAL 71 Ca 0.38 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.68 1fbx h VAL 71 Cb 0.60 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1fbx h VAL 71 CO -0.43 0.40 -0.32 0.47 0.02 0.00 0.00 177.57 177.71 1fbx n ASP 72 N -4.49 0.71 0.00 0.57 8.00 0.39 -3.71 116.55 118.02 1fbx n ASP 72 Ca -0.25 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1fbx n ASP 72 Cb 0.61 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1fbx n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1fbx n GLU 73 N -2.13 0.00 0.31 -1.24 1.02 0.56 -4.61 120.64 114.55 1fbx n GLU 73 Ca 0.05 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.29 1fbx n GLU 73 Cb 0.43 0.00 0.54 0.00 -0.02 0.00 0.00 31.44 32.38 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 0.02 -0.06 -3.67 3.07 -1.66 0.37 117.51 115.57 1fbx h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1fbx h ILE 74 Cb 0.00 0.43 0.00 0.00 -0.27 0.00 0.00 36.82 36.98 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 -2.81 0.10 0.15 0.16 3.72 -0.95 -3.04 117.46 114.79 1fbx n PHE 75 Ca -0.00 -0.58 0.04 0.00 -0.05 0.00 0.00 57.45 56.86 1fbx n PHE 75 Cb 0.63 -0.07 0.18 0.00 -0.94 0.00 0.00 39.48 39.28 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 -0.47 0.11 0.18 4.37 3.41 0.13 -1.86 113.62 119.49 1fbx n SER 76 Ca 0.05 0.55 0.14 0.00 -0.26 0.00 0.00 58.87 59.34 1fbx n SER 76 Cb 0.35 -0.56 0.52 0.00 -0.26 0.00 0.00 64.21 64.26 1fbx n SER 76 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1fbx h GLY 77 N 0.68 0.00 1.03 5.00 0.00 -1.16 -3.07 103.07 105.56 1fbx h GLY 77 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1fbx h GLY 77 CO 0.00 0.00 -0.11 1.41 0.00 0.00 0.00 176.54 177.84 1fbx h LEU 78 N 0.00 0.90 -8.89 3.11 3.38 -1.49 -3.41 115.31 108.91 1fbx h LEU 78 Ca 0.00 -0.36 -0.59 0.00 0.09 0.00 0.00 57.88 57.02 1fbx h LEU 78 Cb 0.50 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 1fbx h LEU 78 CO 0.00 1.05 0.68 -0.62 0.09 0.00 0.00 178.44 179.64 1fbx s ASP 79 N -6.51 6.77 0.31 -0.43 2.15 -1.16 -4.91 116.67 112.90 1fbx s ASP 79 Ca -0.12 0.78 0.23 0.00 0.43 0.00 0.00 52.55 53.87 1fbx s ASP 79 Cb 0.11 -2.49 1.13 0.00 -0.30 0.00 0.00 42.92 41.37 1fbx s ASP 79 CO 0.84 -0.84 1.70 -1.22 -0.17 0.00 0.00 175.17 175.48 1fbx n TYR 80 N 6.76 0.81 0.25 -5.34 4.02 -1.26 -1.87 117.16 120.52 1fbx n TYR 80 Ca 0.09 0.37 0.12 0.00 -0.01 0.00 0.00 57.90 58.47 1fbx n TYR 80 Cb 0.48 -1.10 0.58 0.00 -0.02 0.00 0.00 39.34 39.28 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 2.11 1.00 -0.60 -0.72 0.00 -1.91 0.40 119.26 119.54 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 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 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 -2.30 5.35 -4.77 0.00 3.02 -0.78 -4.95 115.26 110.83 1fbx n ASN 82 Ca -0.00 -2.76 -0.39 0.00 -0.03 0.00 0.00 54.58 51.41 1fbx n ASN 82 Cb 0.11 -0.64 -0.00 0.00 -0.61 0.00 0.00 39.78 38.63 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 -2.43 2.83 0.95 3.10 5.36 0.13 -4.97 117.98 122.95 1fbx s PHE 83 Ca 0.53 1.47 -0.12 0.00 -0.96 0.00 0.00 56.93 57.85 1fbx s PHE 83 Cb 0.38 -3.56 0.16 0.00 -0.34 0.00 0.00 43.02 39.67 1fbx s PHE 83 CO 0.19 -1.88 1.09 -1.25 -1.46 0.00 0.00 175.22 171.91 1fbx s PRO 84 N -2.43 0.80 -0.15 10.12 0.04 -1.26 -5.00 135.00 137.11 1fbx s PRO 84 Ca 0.60 0.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 1fbx s PRO 84 Cb -0.35 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1fbx s PRO 84 CO 0.43 -2.54 0.37 0.15 0.04 0.00 0.00 177.00 175.45 1fbx s LYS 85 N -4.90 4.28 -0.17 4.56 1.02 -1.26 -4.91 119.74 118.35 1fbx s LYS 85 Ca 0.65 0.23 -0.10 0.00 0.02 0.00 0.00 55.97 56.77 1fbx s LYS 85 Cb -0.19 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.63 1fbx s LYS 85 CO 0.58 0.17 0.17 0.42 -0.92 0.00 0.00 175.35 175.77 1fbx s ILE 86 N 0.63 5.40 -0.11 2.17 -1.09 -1.26 -4.98 121.20 121.96 1fbx s ILE 86 Ca 0.20 0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.90 1fbx s ILE 86 Cb -0.14 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 1fbx s ILE 86 CO 0.07 0.47 -0.14 0.42 -1.23 0.00 0.00 174.94 174.53 1fbx s THR 87 N 0.07 3.03 -0.24 2.92 -4.23 -1.26 -5.10 115.64 110.83 1fbx s THR 87 Ca 0.11 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 59.93 1fbx s THR 87 Cb -0.12 -2.25 0.07 0.00 1.34 0.00 0.00 72.50 71.55 1fbx s THR 87 CO 0.01 0.54 0.03 -0.76 -0.54 0.00 0.00 174.62 173.89 1fbx s LEU 88 N 0.12 1.98 0.30 4.79 1.43 -1.26 -2.37 118.68 123.67 1fbx s LEU 88 Ca -0.06 -1.19 -0.13 0.00 -1.03 0.00 0.00 54.13 51.71 1fbx s LEU 88 Cb -0.15 -0.87 -0.08 0.00 0.03 0.00 0.00 46.19 45.12 1fbx s LEU 88 CO 0.05 -0.32 0.69 0.27 0.23 0.00 0.00 176.35 177.27 1fbx s ILE 89 N 1.63 4.75 0.16 -0.59 -4.36 -0.99 -4.84 121.20 116.96 1fbx s ILE 89 Ca 0.01 0.82 -0.31 0.00 -0.26 0.00 0.00 60.65 60.91 1fbx s ILE 89 Cb -0.18 -3.62 -0.09 0.00 1.25 0.00 0.00 42.46 39.83 1fbx s ILE 89 CO -0.12 -0.17 1.43 -0.70 0.24 0.00 0.00 174.94 175.61 1fbx s GLU 90 N -2.98 4.30 -0.92 0.37 2.12 -1.26 -0.63 118.70 119.69 1fbx s GLU 90 Ca 0.52 2.18 -0.22 0.00 0.36 0.00 0.00 54.97 57.81 1fbx s GLU 90 Cb -0.10 -3.19 -0.13 0.00 0.26 0.00 0.00 34.13 30.97 1fbx s GLU 90 CO 0.19 -0.44 1.93 -1.71 -0.54 0.00 0.00 175.26 174.69 1fbx n ASN 91 N 3.46 2.79 0.15 -1.70 5.15 -0.32 -4.56 115.26 120.23 1fbx n ASN 91 Ca 0.10 -2.70 0.07 0.00 -0.60 0.00 0.00 54.58 51.46 1fbx n ASN 91 Cb 0.41 -1.32 0.06 0.00 -0.53 0.00 0.00 39.78 38.40 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 8.29 0.00 0.00 1.20 1.57 -1.90 -3.02 116.57 122.71 1fbx h LYS 92 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1fbx h LYS 92 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1fbx h LYS 92 CO 1.75 0.20 0.00 -1.33 -0.57 0.00 0.00 179.45 179.50 1fbx n MET 93 N -3.03 0.41 -3.73 3.15 2.81 -1.26 -4.92 117.12 110.55 1fbx n MET 93 Ca 0.01 0.03 -0.32 0.00 -1.81 0.00 0.00 57.70 55.60 1fbx n MET 93 Cb 0.64 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.69 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 -1.27 -1.06 -2.87 0.03 5.02 -1.14 -4.90 118.16 111.98 1fbx n LYS 94 Ca 0.13 0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 56.48 1fbx n LYS 94 Cb 0.21 -3.72 -0.04 0.00 -0.02 0.00 0.00 35.03 31.46 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 -3.40 4.72 -0.25 -0.18 1.01 -1.26 -4.89 120.40 116.14 1fbx s VAL 95 Ca 0.40 1.30 0.15 0.00 0.00 0.00 0.00 61.98 63.84 1fbx s VAL 95 Cb -0.16 -4.22 0.39 0.00 0.00 0.00 0.00 36.38 32.39 1fbx s VAL 95 CO 0.88 -0.32 1.29 -0.90 0.00 0.00 0.00 175.10 176.05 1fbx n ASP 96 N 6.38 3.17 -4.65 3.32 5.75 -1.26 -4.17 116.55 125.09 1fbx n ASP 96 Ca 0.06 -2.81 -0.23 0.00 -0.01 0.00 0.00 54.79 51.79 1fbx n ASP 96 Cb 0.48 -0.42 -0.07 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 -2.44 2.29 0.38 0.11 0.41 -1.26 -4.97 118.70 113.22 1fbx s GLU 97 Ca 0.33 -1.44 -0.24 0.00 -0.41 0.00 0.00 54.97 53.21 1fbx s GLU 97 Cb 0.27 -2.15 -0.09 0.00 -1.78 0.00 0.00 34.13 30.37 1fbx s GLU 97 CO 0.07 0.35 1.03 0.00 -0.49 0.00 0.00 175.26 176.22 1fbx s MET 98 N -3.68 4.26 -0.14 1.61 0.23 -1.26 -4.42 119.30 115.89 1fbx s MET 98 Ca 0.32 1.48 -0.05 0.00 -1.03 0.00 0.00 55.69 56.40 1fbx s MET 98 Cb -0.06 -2.60 -0.04 0.00 -1.53 0.00 0.00 34.83 30.60 1fbx s MET 98 CO 0.20 -0.05 0.04 0.08 -2.03 0.00 0.00 175.02 173.26 1fbx s VAL 99 N -1.65 4.66 -0.09 5.16 1.01 0.88 -4.93 120.40 125.44 1fbx s VAL 99 Ca 0.56 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1fbx s VAL 99 Cb -0.21 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1fbx s VAL 99 CO 0.27 0.53 -0.19 -0.89 0.00 0.00 0.00 175.10 174.82 1fbx s THR 100 N -0.21 1.72 -0.34 3.92 2.01 -1.26 -2.29 115.64 119.18 1fbx s THR 100 Ca 0.07 -0.81 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 1fbx s THR 100 Cb -0.12 -1.51 0.05 0.00 0.01 0.00 0.00 72.50 70.92 1fbx s THR 100 CO 0.02 0.48 0.10 -0.69 -0.69 0.00 0.00 174.62 173.84 1fbx s VAL 101 N 0.52 3.64 0.25 3.82 1.01 0.56 -5.00 120.40 125.20 1fbx s VAL 101 Ca -0.16 -1.22 0.08 0.00 0.00 0.00 0.00 61.98 60.68 1fbx s VAL 101 Cb -0.17 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1fbx s VAL 101 CO 0.06 -0.20 0.06 0.00 0.00 0.00 0.00 175.10 175.02 1fbx s ARG 102 N 1.37 2.50 -1.46 2.72 1.70 -1.26 -0.66 118.95 123.86 1fbx s ARG 102 Ca -0.02 -1.26 -0.08 0.00 -0.47 0.00 0.00 55.73 53.91 1fbx s ARG 102 Cb -0.20 -2.31 0.04 0.00 -0.57 0.00 0.00 34.95 31.90 1fbx s ARG 102 CO 0.02 0.39 0.73 -0.25 -1.08 0.00 0.00 175.30 175.10 1fbx n ASP 103 N -0.86 -5.39 -4.65 -2.89 8.00 -1.15 -4.93 116.55 104.69 1fbx n ASP 103 Ca -0.07 -0.43 -0.43 0.00 0.71 0.00 0.00 54.79 54.57 1fbx n ASP 103 Cb 0.58 -4.34 -0.03 0.00 -0.02 0.00 0.00 41.12 37.31 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 -3.16 3.63 0.31 0.53 1.01 -0.23 -4.77 121.20 118.53 1fbx s ILE 104 Ca 0.43 0.74 -0.29 0.00 0.00 0.00 0.00 60.65 61.53 1fbx s ILE 104 Cb -0.20 -3.55 -0.12 0.00 0.01 0.00 0.00 42.46 38.59 1fbx s ILE 104 CO 0.53 -0.15 1.36 0.41 0.00 0.00 0.00 174.94 177.09 1fbx n THR 105 N 5.91 1.65 -3.70 2.92 -1.04 -1.26 -0.93 114.28 117.83 1fbx n THR 105 Ca 0.18 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.05 61.64 1fbx n THR 105 Cb 0.44 -1.62 -0.14 0.00 -1.82 0.00 0.00 70.33 67.19 1fbx n THR 105 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1fbx s LEU 106 N -0.77 0.20 -0.08 -4.42 0.20 -0.83 -4.79 118.68 108.18 1fbx s LEU 106 Ca 0.59 0.43 -0.01 0.00 0.69 0.00 0.00 54.13 55.83 1fbx s LEU 106 Cb -0.57 0.51 0.03 0.00 -0.43 0.00 0.00 46.19 45.72 1fbx s LEU 106 CO 0.58 -0.20 -0.00 0.42 -0.29 0.00 0.00 176.35 176.86 1fbx s THR 107 N 1.78 0.42 0.00 3.68 -4.23 -1.26 -1.50 115.64 114.53 1fbx s THR 107 Ca -0.04 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1fbx s THR 107 Cb -0.11 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.12 1fbx s THR 107 CO -0.07 0.23 0.00 -0.24 -0.54 0.00 0.00 174.62 174.00 1fbx n SER 108 N 5.13 0.85 -3.77 3.99 2.88 -0.25 -4.53 113.62 117.92 1fbx n SER 108 Ca -0.08 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.34 1fbx n SER 108 Cb 0.50 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.55 -0.03 0.19 2.46 2.01 -1.26 -1.83 115.64 117.74 1fbx s THR 109 Ca 0.00 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 1fbx s THR 109 Cb 0.00 -0.28 -0.08 0.00 0.01 0.00 0.00 72.50 72.15 1fbx s THR 109 CO 0.00 0.04 1.20 0.00 -0.69 0.00 0.00 174.62 175.17 1fbx n GLU 111 N 2.43 0.23 0.11 0.00 0.28 0.88 -0.71 120.64 123.85 1fbx n GLU 111 Ca 0.04 0.10 0.02 0.00 -0.16 0.00 0.00 57.16 57.16 1fbx n GLU 111 Cb 0.44 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.81 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 -1.90 -3.40 115.15 111.88 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 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1fbx h HIS 112 CO 0.00 0.51 0.00 0.72 0.86 0.00 0.00 177.93 180.02 1fbx n HIS 113 N -3.14 0.00 -3.65 2.45 8.25 -1.21 -5.02 115.22 112.90 1fbx n HIS 113 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 1fbx n HIS 113 Cb 0.76 0.05 0.05 0.00 1.12 0.00 0.00 29.99 31.96 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 -2.03 -4.32 4.41 3.01 0.11 -4.99 117.46 113.64 1fbx n PHE 114 Ca 0.00 0.87 -0.26 0.00 1.01 0.00 0.00 57.45 59.08 1fbx n PHE 114 Cb 0.43 -4.56 -0.13 0.00 -0.01 0.00 0.00 39.48 35.22 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 -3.56 1.91 0.30 -4.37 1.01 -1.23 -4.87 120.40 109.58 1fbx s VAL 115 Ca 0.06 -1.62 -0.28 0.00 0.00 0.00 0.00 61.98 60.14 1fbx s VAL 115 Cb -0.03 -1.72 -0.14 0.00 0.00 0.00 0.00 36.38 34.49 1fbx s VAL 115 CO 0.79 -0.01 0.96 0.41 0.00 0.00 0.00 175.10 177.25 1fbx n THR 116 N 1.02 2.02 -4.37 3.92 -1.04 -1.26 -0.72 114.28 113.85 1fbx n THR 116 Ca -0.19 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.04 1fbx n THR 116 Cb 0.53 -0.93 -0.17 0.00 -1.82 0.00 0.00 70.33 67.95 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 -1.09 1.44 -0.12 12.58 1.01 -0.76 -1.62 121.20 132.64 1fbx s ILE 117 Ca 0.59 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.66 1fbx s ILE 117 Cb -0.70 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1fbx s ILE 117 CO 0.59 0.43 -0.17 -0.62 0.00 0.00 0.00 174.94 175.18 1fbx s ASP 118 N 1.08 2.62 0.10 3.58 2.15 -0.47 -1.10 116.67 124.63 1fbx s ASP 118 Ca -0.05 -0.47 -0.05 0.00 0.43 0.00 0.00 52.55 52.41 1fbx s ASP 118 Cb -0.15 -1.18 0.02 0.00 -0.30 0.00 0.00 42.92 41.31 1fbx s ASP 118 CO -0.03 0.03 0.24 0.61 -0.17 0.00 0.00 175.17 175.85 1fbx n GLY 119 N 4.21 1.54 3.23 2.66 0.00 -0.56 -0.32 105.19 115.95 1fbx n GLY 119 Ca -0.19 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.02 1.55 0.01 1.61 3.01 0.03 -1.96 119.74 121.96 1fbx s LYS 120 Ca 0.05 -0.83 0.05 0.00 -1.01 0.00 0.00 55.97 54.23 1fbx s LYS 120 Cb -0.01 -1.57 -0.03 0.00 -1.01 0.00 0.00 37.83 35.20 1fbx s LYS 120 CO 0.03 0.42 -0.13 0.00 0.51 0.00 0.00 175.35 176.18 1fbx s ALA 121 N -0.62 2.79 -0.11 5.17 0.00 -0.10 -1.39 121.76 127.49 1fbx s ALA 121 Ca 0.08 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1fbx s ALA 121 Cb -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.11 1fbx s ALA 121 CO 0.00 0.59 -0.13 0.99 0.00 0.00 0.00 175.76 177.21 1fbx s THR 122 N -0.92 1.40 0.08 0.00 2.01 0.18 -1.06 115.64 117.34 1fbx s THR 122 Ca 0.15 -0.57 0.09 0.00 0.31 0.00 0.00 61.69 61.68 1fbx s THR 122 Cb -0.11 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 1fbx s THR 122 CO 0.05 0.43 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.47 1fbx s VAL 123 N 1.18 2.01 -0.09 3.82 1.01 0.17 -1.55 120.40 126.95 1fbx s VAL 123 Ca -0.03 -1.50 -0.13 0.00 0.00 0.00 0.00 61.98 60.32 1fbx s VAL 123 Cb -0.14 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.51 1fbx s VAL 123 CO -0.04 0.17 0.32 0.00 0.00 0.00 0.00 175.10 175.55 1fbx s ALA 124 N -0.95 -0.81 0.21 5.51 0.00 -0.49 -0.32 121.76 124.92 1fbx s ALA 124 Ca 0.11 0.72 -0.09 0.00 0.00 0.00 0.00 51.96 52.69 1fbx s ALA 124 Cb -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1fbx s ALA 124 CO 0.04 -0.19 0.35 1.52 0.00 0.00 0.00 175.76 177.48 1fbx s TYR 125 N -0.36 0.52 -0.25 0.00 1.13 -0.97 0.19 117.35 117.61 1fbx s TYR 125 Ca -0.05 -0.85 0.02 0.00 -1.41 0.00 0.00 57.07 54.78 1fbx s TYR 125 Cb -0.03 -0.03 0.06 0.00 -1.10 0.00 0.00 41.96 40.86 1fbx s TYR 125 CO 0.02 -0.84 -0.09 0.42 -2.51 0.00 0.00 175.55 172.55 1fbx s ILE 126 N -4.03 1.95 0.25 -3.49 1.01 -0.94 -0.08 121.20 115.87 1fbx s ILE 126 Ca 0.24 -1.50 -0.31 0.00 0.00 0.00 0.00 60.65 59.08 1fbx s ILE 126 Cb 0.02 -2.12 -0.13 0.00 0.01 0.00 0.00 42.46 40.25 1fbx s ILE 126 CO 0.07 -0.05 1.46 -2.65 0.00 0.00 0.00 174.94 173.77 1fbx n PRO 127 N 4.51 2.21 0.00 2.79 -0.02 -1.26 -4.88 135.00 138.35 1fbx n PRO 127 Ca -0.13 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1fbx n PRO 127 Cb 0.43 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 2.14 0.00 -0.08 -0.52 4.81 -1.26 -4.66 118.16 118.58 1fbx n LYS 128 Ca 0.11 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.39 1fbx n LYS 128 Cb 0.33 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.24 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 -0.57 1.43 -4.46 3.14 8.00 -1.26 -4.81 116.55 118.01 1fbx n ASP 129 Ca 0.00 0.02 -0.30 0.00 0.71 0.00 0.00 54.79 55.22 1fbx n ASP 129 Cb 0.00 -0.14 -0.12 0.00 -0.02 0.00 0.00 41.12 40.84 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 -6.34 3.77 -0.32 -2.24 0.01 -1.26 -1.18 113.70 106.14 1fbx s SER 130 Ca -0.23 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 56.51 1fbx s SER 130 Cb 0.08 -0.52 0.09 0.00 0.21 0.00 0.00 66.02 65.87 1fbx s SER 130 CO 0.71 0.21 0.02 -0.69 0.41 0.00 0.00 173.24 173.90 1fbx s VAL 131 N -1.05 2.43 0.47 3.43 1.01 0.20 -4.74 120.40 122.16 1fbx s VAL 131 Ca 0.16 -2.04 -0.23 0.00 0.00 0.00 0.00 61.98 59.86 1fbx s VAL 131 Cb -0.10 -2.65 -0.07 0.00 0.00 0.00 0.00 36.38 33.55 1fbx s VAL 131 CO 0.08 -0.42 1.26 -0.51 0.00 0.00 0.00 175.10 175.51 1fbx s ILE 132 N 1.01 2.68 0.53 2.22 2.07 -1.26 -2.34 121.20 126.12 1fbx s ILE 132 Ca 0.04 0.54 -0.22 0.00 -1.41 0.00 0.00 60.65 59.60 1fbx s ILE 132 Cb -0.20 -3.29 -0.05 0.00 0.13 0.00 0.00 42.46 39.05 1fbx s ILE 132 CO -0.06 0.02 1.36 -0.83 -1.91 0.00 0.00 174.94 173.52 1fbx s GLY 133 N -1.08 2.89 0.09 1.50 0.00 -1.00 -4.92 107.32 104.81 1fbx s GLY 133 Ca 0.64 1.34 -0.29 0.00 0.00 0.00 0.00 44.72 46.41 1fbx s GLY 133 CO 0.42 1.87 1.64 1.41 0.00 0.00 0.00 173.10 178.45 1fbx h LEU 134 N 1.57 -0.70 -1.79 0.66 3.38 -1.93 -2.97 115.31 113.53 1fbx h LEU 134 Ca -0.51 0.05 0.26 0.00 0.09 0.00 0.00 57.88 57.78 1fbx h LEU 134 Cb 1.30 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 42.22 1fbx h LEU 134 CO 0.58 -0.41 0.67 0.77 0.09 0.00 0.00 178.44 180.14 1fbx h SER 135 N -0.62 0.16 -0.52 -0.43 4.64 -2.01 -1.22 113.55 113.55 1fbx h SER 135 Ca -0.03 0.02 0.08 0.00 -0.47 0.00 0.00 61.79 61.39 1fbx h SER 135 Cb 0.54 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 1fbx h SER 135 CO -0.00 0.05 0.35 0.11 -0.87 0.00 0.00 176.83 176.47 1fbx h LYS 136 N 0.15 0.37 0.38 4.77 1.79 -1.90 -0.80 116.57 121.34 1fbx h LYS 136 Ca 0.48 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.91 1fbx h LYS 136 Cb 1.64 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.21 1fbx h LYS 136 CO -0.09 0.24 -0.18 0.82 -1.08 0.00 0.00 179.45 179.16 1fbx h ILE 137 N 0.38 0.59 -0.90 1.86 2.04 -1.37 0.35 117.51 120.46 1fbx h ILE 137 Ca 0.23 -0.50 0.21 0.00 1.00 0.00 0.00 64.86 65.81 1fbx h ILE 137 Cb 0.43 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 1fbx h ILE 137 CO -0.06 0.09 0.60 0.78 0.00 0.00 0.00 178.15 179.56 1fbx h ASN 138 N -0.81 0.35 -0.14 1.72 2.35 -1.52 -0.52 115.58 117.00 1fbx h ASN 138 Ca -0.05 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 1fbx h ASN 138 Cb 0.53 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 1fbx h ASN 138 CO 0.08 0.13 -0.20 0.03 -1.65 0.00 0.00 177.43 175.82 1fbx h ARG 139 N 0.34 0.39 -0.64 0.81 2.47 -0.68 -2.65 114.38 114.43 1fbx h ARG 139 Ca 0.47 -0.23 -0.06 0.00 -1.26 0.00 0.00 59.98 58.90 1fbx h ARG 139 Cb 1.27 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.58 1fbx h ARG 139 CO -0.16 0.81 0.17 0.82 0.56 0.00 0.00 179.97 182.17 1fbx h ILE 140 N 0.00 1.24 0.80 2.04 2.04 0.11 -1.69 117.51 122.06 1fbx h ILE 140 Ca 0.01 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 1fbx h ILE 140 Cb 0.77 0.57 0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1fbx h ILE 140 CO 0.05 0.33 -0.40 0.58 0.00 0.00 0.00 178.15 178.71 1fbx h VAL 141 N 0.94 0.19 -0.54 1.67 2.07 -1.18 -2.73 116.25 116.68 1fbx h VAL 141 Ca 0.21 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.84 1fbx h VAL 141 Cb 0.31 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1fbx h VAL 141 CO -0.00 0.00 0.37 1.56 0.02 0.00 0.00 177.57 179.52 1fbx h GLN 142 N -1.09 0.22 0.48 1.57 1.08 -1.38 -1.45 115.11 114.54 1fbx h GLN 142 Ca -0.11 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 1fbx h GLN 142 Cb 0.84 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 1fbx h GLN 142 CO 0.17 0.14 -0.36 0.35 -0.95 0.00 0.00 178.83 178.18 1fbx h PHE 143 N 0.22 -0.97 0.00 2.96 3.57 -1.00 -1.81 116.94 119.91 1fbx h PHE 143 Ca 0.25 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1fbx h PHE 143 Cb 0.70 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1fbx h PHE 143 CO -0.00 -0.53 0.00 0.74 -2.23 0.00 0.00 178.31 176.29 1fbx h PHE 144 N -0.83 0.00 -0.18 0.41 0.04 -1.24 -2.89 116.94 112.26 1fbx h PHE 144 Ca -0.05 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.52 1fbx h PHE 144 Cb 0.70 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.86 1fbx h PHE 144 CO -0.15 0.00 -0.65 0.00 -0.60 0.00 0.00 178.31 176.91 1fbx h ALA 145 N 2.18 0.32 0.00 2.45 0.00 -0.64 -3.31 119.26 120.25 1fbx h ALA 145 Ca 0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 54.91 54.14 1fbx h ALA 145 Cb 0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1fbx h ALA 145 CO 0.00 0.60 1.30 1.04 0.00 0.00 0.00 179.25 182.20 1fbx n GLN 146 N -4.03 1.40 -3.76 0.00 1.13 -0.74 -4.34 117.38 107.03 1fbx n GLN 146 Ca -0.07 -0.93 -0.13 0.00 -1.94 0.00 0.00 57.00 53.93 1fbx n GLN 146 Cb 0.68 -2.08 -0.09 0.00 0.11 0.00 0.00 30.24 28.85 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 2.90 0.56 0.18 -1.09 0.52 -1.17 -0.82 118.95 120.03 1fbx s ARG 147 Ca 0.33 0.03 -0.32 0.00 -0.52 0.00 0.00 55.73 55.26 1fbx s ARG 147 Cb 0.12 0.26 -0.11 0.00 0.52 0.00 0.00 34.95 35.73 1fbx s ARG 147 CO -0.02 -0.13 1.76 -2.14 0.02 0.00 0.00 175.30 174.79 1fbx s PRO 148 N -0.80 4.13 0.28 3.54 0.02 -1.26 -4.22 135.00 136.70 1fbx s PRO 148 Ca -0.09 2.60 0.02 0.00 0.02 0.00 0.00 61.00 63.55 1fbx s PRO 148 Cb -0.04 -3.27 -0.05 0.00 0.02 0.00 0.00 34.50 31.15 1fbx s PRO 148 CO 0.03 -0.78 0.09 -0.65 -0.33 0.00 0.00 177.00 175.35 1fbx s GLN 149 N 1.75 1.49 -0.12 5.54 -1.52 0.13 -4.65 119.66 122.28 1fbx s GLN 149 Ca 0.77 -1.81 0.01 0.00 -1.95 0.00 0.00 55.36 52.38 1fbx s GLN 149 Cb -0.48 -0.43 0.02 0.00 -0.22 0.00 0.00 33.01 31.89 1fbx s GLN 149 CO 0.34 -0.27 -0.14 0.08 -0.25 0.00 0.00 175.29 175.05 1fbx s VAL 150 N -3.62 1.45 0.48 1.09 1.01 -1.26 -0.09 120.40 119.46 1fbx s VAL 150 Ca 0.37 -0.59 0.24 0.00 0.00 0.00 0.00 61.98 62.00 1fbx s VAL 150 Cb 0.08 -1.35 0.43 0.00 0.00 0.00 0.00 36.38 35.54 1fbx s VAL 150 CO 0.14 0.43 1.88 -0.61 0.00 0.00 0.00 175.10 176.95 1fbx h GLN 151 N 7.67 0.19 0.00 2.72 4.15 -2.00 0.66 115.11 128.51 1fbx h GLN 151 Ca -0.33 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.02 1fbx h GLN 151 Cb 1.16 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 1fbx h GLN 151 CO 0.49 0.13 -0.26 0.93 -1.93 0.00 0.00 178.83 178.19 1fbx h GLU 152 N 0.20 0.00 0.08 1.69 3.07 -2.00 -2.78 114.58 114.83 1fbx h GLU 152 Ca 0.44 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 59.07 1fbx h GLU 152 Cb 1.39 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.29 1fbx h GLU 152 CO -0.09 0.26 -1.19 -0.09 -1.40 0.00 0.00 179.01 176.50 1fbx h ARG 153 N 0.00 0.16 -0.98 2.33 2.43 -1.31 -3.28 114.38 113.73 1fbx h ARG 153 Ca -0.00 -0.28 0.22 0.00 -0.81 0.00 0.00 59.98 59.10 1fbx h ARG 153 Cb 0.54 0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 30.08 1fbx h ARG 153 CO 0.03 1.13 0.56 1.25 -1.51 0.00 0.00 179.97 181.44 1fbx h LEU 154 N -0.53 0.65 -0.27 3.80 5.85 -1.34 0.60 115.31 124.07 1fbx h LEU 154 Ca -0.27 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 1fbx h LEU 154 Cb 1.57 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 1fbx h LEU 154 CO -0.00 0.16 -0.16 0.74 -0.34 0.00 0.00 178.44 178.83 1fbx h THR 155 N 0.62 1.30 -0.89 1.05 2.02 -1.64 -2.40 112.91 112.97 1fbx h THR 155 Ca 0.60 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 1fbx h THR 155 Cb 1.05 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.96 1fbx h THR 155 CO -0.44 0.40 0.47 1.56 0.37 0.00 0.00 175.52 177.88 1fbx h GLN 156 N 0.33 1.24 0.06 6.66 1.08 -1.19 -2.55 115.11 120.75 1fbx h GLN 156 Ca 0.06 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1fbx h GLN 156 Cb 0.69 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1fbx h GLN 156 CO 0.05 0.92 -0.03 1.96 -0.95 0.00 0.00 178.83 180.78 1fbx h GLN 157 N 1.24 -0.07 -0.67 1.46 4.20 -0.89 -2.42 115.11 117.97 1fbx h GLN 157 Ca 0.31 0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.15 1fbx h GLN 157 Cb 0.05 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1fbx h GLN 157 CO -0.05 0.17 0.45 0.82 -0.67 0.00 0.00 178.83 179.55 1fbx h ILE 158 N -0.31 0.84 0.18 2.54 2.04 -1.34 -0.33 117.51 121.13 1fbx h ILE 158 Ca -0.01 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1fbx h ILE 158 Cb 0.28 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1fbx h ILE 158 CO 0.01 0.07 -0.09 0.25 0.00 0.00 0.00 178.15 178.40 1fbx h LEU 159 N 0.39 -0.20 -0.67 1.44 5.85 -1.18 -2.77 115.31 118.16 1fbx h LEU 159 Ca 0.32 0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.18 1fbx h LEU 159 Cb 0.71 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 41.66 1fbx h LEU 159 CO -0.09 -0.09 -0.13 0.40 -0.34 0.00 0.00 178.44 178.18 1fbx h ILE 160 N -0.34 0.35 -0.28 4.05 1.08 -1.27 0.96 117.51 122.06 1fbx h ILE 160 Ca -0.02 -0.01 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 1fbx h ILE 160 Cb 0.18 0.32 -0.08 0.00 -3.07 0.00 0.00 36.82 34.18 1fbx h ILE 160 CO 0.04 0.00 -0.33 0.00 -0.69 0.00 0.00 178.15 177.17 1fbx h ALA 161 N 1.66 -0.28 -0.60 1.87 0.00 -1.13 0.47 119.26 121.24 1fbx h ALA 161 Ca 0.33 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 1fbx h ALA 161 Cb 0.52 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1fbx h ALA 161 CO -0.67 -0.77 0.16 -0.07 0.00 0.00 0.00 179.25 177.90 1fbx h LEU 162 N -0.32 0.90 -1.13 0.00 3.38 -1.00 -1.70 115.31 115.45 1fbx h LEU 162 Ca 0.14 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 57.98 1fbx h LEU 162 Cb 0.54 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1fbx h LEU 162 CO -0.46 0.89 0.60 1.56 0.09 0.00 0.00 178.44 181.12 1fbx h GLN 163 N 0.87 0.93 -0.08 1.13 4.20 -0.18 0.48 115.11 122.46 1fbx h GLN 163 Ca 0.19 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 1fbx h GLN 163 Cb 0.33 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1fbx h GLN 163 CO -0.00 0.62 -0.11 1.15 -0.67 0.00 0.00 178.83 179.82 1fbx h THR 164 N 0.96 1.38 -0.23 -0.54 2.02 -0.48 -1.59 112.91 114.43 1fbx h THR 164 Ca 0.43 -1.32 -0.13 0.00 0.77 0.00 0.00 66.41 66.17 1fbx h THR 164 Cb 0.38 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 1fbx h THR 164 CO -0.19 0.37 -0.38 -0.07 0.37 0.00 0.00 175.52 175.62 1fbx h LEU 165 N -0.22 0.55 0.00 2.58 3.38 -0.85 -3.12 115.31 117.63 1fbx h LEU 165 Ca 0.01 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1fbx h LEU 165 Cb 0.65 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1fbx h LEU 165 CO 0.03 0.88 -0.44 0.18 0.09 0.00 0.00 178.44 179.18 1fbx n LEU 166 N -4.04 0.45 -3.42 1.67 4.77 0.12 -4.99 117.00 111.56 1fbx n LEU 166 Ca -0.01 0.11 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 1fbx n LEU 166 Cb 0.50 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.39 1fbx n LEU 166 CO 0.44 0.08 0.09 0.61 -1.33 0.00 0.00 177.39 177.28 1fbx n GLY 167 N 1.48 -0.48 3.46 -0.72 0.00 -0.62 -4.65 105.19 103.66 1fbx n GLY 167 Ca 0.05 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.38 0.02 -0.23 2.61 2.01 -1.10 -4.88 115.64 110.69 1fbx s THR 168 Ca 0.07 -0.39 0.22 0.00 0.31 0.00 0.00 61.69 61.90 1fbx s THR 168 Cb -0.01 -1.26 -0.30 0.00 0.01 0.00 0.00 72.50 70.94 1fbx s THR 168 CO 0.74 -0.09 0.60 0.59 -0.69 0.00 0.00 174.62 175.76 1fbx n ASN 169 N -0.35 0.23 -3.49 3.53 3.02 -1.26 -4.50 115.26 112.44 1fbx n ASN 169 Ca -0.14 -0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 53.86 1fbx n ASN 169 Cb 0.64 1.72 -0.07 0.00 -0.61 0.00 0.00 39.78 41.46 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 -2.13 2.19 -3.92 6.41 3.02 -1.26 -1.65 115.26 117.91 1fbx n ASN 170 Ca -0.02 -2.54 -0.16 0.00 -0.03 0.00 0.00 54.58 51.83 1fbx n ASN 170 Cb 0.52 -0.89 -0.15 0.00 -0.61 0.00 0.00 39.78 38.65 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 5.38 0.32 0.02 2.41 1.01 -1.26 -2.23 120.40 126.05 1fbx s VAL 171 Ca 0.54 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.45 1fbx s VAL 171 Cb 0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 1fbx s VAL 171 CO 0.16 0.11 -0.17 0.00 0.00 0.00 0.00 175.10 175.20 1fbx s ALA 172 N 0.14 1.40 -0.01 5.51 0.00 0.13 -1.12 121.76 127.81 1fbx s ALA 172 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1fbx s ALA 172 Cb -0.04 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1fbx s ALA 172 CO -0.00 0.31 -0.01 0.08 0.00 0.00 0.00 175.76 176.14 1fbx s VAL 173 N -0.63 0.13 -0.03 0.00 1.01 -0.31 -1.39 120.40 119.19 1fbx s VAL 173 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1fbx s VAL 173 Cb -0.07 -0.16 0.03 0.00 0.00 0.00 0.00 36.38 36.17 1fbx s VAL 173 CO 0.01 0.08 0.04 -0.55 0.00 0.00 0.00 175.10 174.67 1fbx s SER 174 N 0.38 0.22 -0.12 3.32 0.15 -0.60 0.53 113.70 117.59 1fbx s SER 174 Ca -0.03 0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.70 1fbx s SER 174 Cb -0.06 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.20 1fbx s SER 174 CO -0.01 -0.15 -0.19 -0.63 1.20 0.00 0.00 173.24 173.46 1fbx s ILE 175 N 1.26 1.76 -0.32 6.45 1.01 0.12 -0.64 121.20 130.84 1fbx s ILE 175 Ca -0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 1fbx s ILE 175 Cb -0.13 -1.57 0.05 0.00 0.01 0.00 0.00 42.46 40.82 1fbx s ILE 175 CO -0.03 0.49 0.04 -0.62 0.00 0.00 0.00 174.94 174.82 1fbx s ASP 176 N 0.80 5.04 0.06 3.58 2.15 -0.49 -1.08 116.67 126.74 1fbx s ASP 176 Ca -0.09 -1.28 -0.00 0.00 0.43 0.00 0.00 52.55 51.61 1fbx s ASP 176 Cb -0.16 -1.77 -0.04 0.00 -0.30 0.00 0.00 42.92 40.66 1fbx s ASP 176 CO 0.00 -0.30 -0.04 0.00 -0.17 0.00 0.00 175.17 174.66 1fbx s ALA 177 N 1.29 0.55 -0.20 3.66 0.00 -0.53 -0.79 121.76 125.74 1fbx s ALA 177 Ca -0.03 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 1fbx s ALA 177 Cb -0.20 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 1fbx s ALA 177 CO -0.00 -0.28 -0.00 0.08 0.00 0.00 0.00 175.76 175.56 1fbx s VAL 178 N -3.27 3.93 -0.29 0.00 1.01 0.57 -0.45 120.40 121.89 1fbx s VAL 178 Ca 0.03 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1fbx s VAL 178 Cb 0.03 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1fbx s VAL 178 CO -0.07 0.43 0.27 -1.00 0.00 0.00 0.00 175.10 174.73 1fbx s HIS 179 N 1.02 3.23 -1.39 5.22 3.76 -1.26 -1.37 115.29 124.49 1fbx s HIS 179 Ca 0.02 0.13 0.20 0.00 -0.15 0.00 0.00 55.06 55.26 1fbx s HIS 179 Cb -0.14 -2.49 1.02 0.00 1.11 0.00 0.00 32.58 32.07 1fbx s HIS 179 CO 0.02 -0.25 1.64 0.66 -0.85 0.00 0.00 174.74 175.96 1fbx n TYR 180 N 5.19 0.00 1.56 1.40 4.02 -0.64 -1.24 117.16 127.45 1fbx n TYR 180 Ca -0.12 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.90 1fbx n TYR 180 Cb 0.51 -0.30 0.57 0.00 -0.02 0.00 0.00 39.34 40.09 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 -0.08 0.00 -0.04 0.00 0.31 -0.37 -4.51 118.33 113.64 1fbx n VAL 182 Ca 0.19 -0.36 -0.06 0.00 -0.01 0.00 0.00 64.34 64.10 1fbx n VAL 182 Cb 0.28 0.97 -0.03 0.00 -0.91 0.00 0.00 33.84 34.15 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 -1.16 0.18 0.00 5.55 4.81 -1.08 0.56 118.16 127.02 1fbx n LYS 183 Ca 0.01 0.05 0.13 0.00 -0.87 0.00 0.00 58.31 57.63 1fbx n LYS 183 Cb 0.09 -1.09 0.39 0.00 0.02 0.00 0.00 35.03 34.44 1fbx n LYS 183 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fbx n ALA 184 N -2.81 3.09 -3.66 3.14 0.00 0.27 -4.38 120.51 116.17 1fbx n ALA 184 Ca -0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 53.44 52.92 1fbx n ALA 184 Cb 0.63 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 1fbx n ALA 184 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1fbx s ARG 185 N -2.57 0.65 2.95 0.00 3.03 -1.25 -5.02 118.95 116.74 1fbx s ARG 185 Ca 0.23 -0.35 0.00 0.00 2.03 0.00 0.00 55.73 57.64 1fbx s ARG 185 Cb 0.19 0.23 0.00 0.00 -1.03 0.00 0.00 34.95 34.34 1fbx s ARG 185 CO 0.54 -0.30 0.00 0.41 -1.13 0.00 0.00 175.30 174.82 1fbx n GLY 186 N -0.45 0.61 0.29 3.88 0.00 -1.26 -3.21 105.19 105.05 1fbx n GLY 186 Ca -0.07 -1.11 0.17 0.00 0.00 0.00 0.00 46.02 45.01 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 0.28 -5.75 -0.61 6.09 -1.85 -3.47 117.51 112.20 1fbx h ILE 187 Ca 0.00 -0.31 -0.32 0.00 -1.37 0.00 0.00 64.86 62.86 1fbx h ILE 187 Cb 0.00 1.23 0.15 0.00 0.47 0.00 0.00 36.82 38.67 1fbx h ILE 187 CO 0.00 0.05 -0.88 0.54 -3.07 0.00 0.00 178.15 174.79 1fbx n ARG 188 N -3.39 -2.31 -3.32 2.19 1.74 -1.04 -4.98 116.66 105.56 1fbx n ARG 188 Ca -0.02 0.72 -0.41 0.00 -0.77 0.00 0.00 57.85 57.37 1fbx n ARG 188 Cb 0.18 -5.24 -0.09 0.00 -1.02 0.00 0.00 32.46 26.29 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 -3.53 6.27 0.00 0.55 -1.08 0.19 -4.88 116.67 114.19 1fbx s ASP 189 Ca 0.41 -0.01 0.28 0.00 -0.52 0.00 0.00 52.55 52.72 1fbx s ASP 189 Cb -0.09 -2.24 1.12 0.00 -1.46 0.00 0.00 42.92 40.26 1fbx s ASP 189 CO 0.78 -0.37 1.83 0.00 0.52 0.00 0.00 175.17 177.93 1fbx n ALA 190 N 5.54 2.68 0.00 3.66 0.00 -1.26 -4.14 120.51 126.99 1fbx n ALA 190 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1fbx n ALA 190 Cb 0.49 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.37 0.00 -1.54 0.00 -2.24 -1.26 -5.06 114.28 102.81 1fbx n THR 191 Ca 0.09 -0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.41 1fbx n THR 191 Cb 0.31 0.65 0.06 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.66 5.10 0.05 3.42 1.04 -1.26 -5.06 113.70 115.31 1fbx s SER 192 Ca 0.00 1.56 -0.16 0.00 0.48 0.00 0.00 55.95 57.83 1fbx s SER 192 Cb 0.00 -2.39 0.03 0.00 0.10 0.00 0.00 66.02 63.76 1fbx s SER 192 CO 0.00 -1.62 0.36 0.00 0.98 0.00 0.00 173.24 172.96 1fbx s ALA 193 N -3.06 -0.84 -0.09 5.32 0.00 -1.26 -4.80 121.76 117.04 1fbx s ALA 193 Ca 0.59 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1fbx s ALA 193 Cb -0.14 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1fbx s ALA 193 CO 0.55 -0.44 -0.08 0.99 0.00 0.00 0.00 175.76 176.78 1fbx s THR 194 N -2.55 3.59 -0.22 0.00 2.01 0.40 -4.93 115.64 113.94 1fbx s THR 194 Ca -0.05 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 1fbx s THR 194 Cb -0.01 -2.48 0.01 0.00 0.01 0.00 0.00 72.50 70.03 1fbx s THR 194 CO -0.03 0.57 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.51 1fbx s THR 195 N -0.48 3.00 0.10 -0.82 2.01 -1.26 -1.45 115.64 116.74 1fbx s THR 195 Ca 0.07 -0.73 0.10 0.00 0.31 0.00 0.00 61.69 61.44 1fbx s THR 195 Cb -0.12 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1fbx s THR 195 CO 0.02 0.38 -0.26 0.42 -0.69 0.00 0.00 174.62 174.48 1fbx s THR 196 N 1.40 2.25 0.01 -0.82 -4.23 -0.24 -4.97 115.64 109.04 1fbx s THR 196 Ca 0.04 -1.62 -0.10 0.00 -1.18 0.00 0.00 61.69 58.83 1fbx s THR 196 Cb -0.15 -1.96 0.01 0.00 1.34 0.00 0.00 72.50 71.74 1fbx s THR 196 CO -0.05 0.19 0.19 0.42 -0.54 0.00 0.00 174.62 174.82 1fbx s THR 197 N -0.98 0.09 -0.07 3.99 -4.23 -1.26 0.11 115.64 113.29 1fbx s THR 197 Ca 0.13 -0.70 -0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1fbx s THR 197 Cb -0.10 -0.61 0.02 0.00 1.34 0.00 0.00 72.50 73.16 1fbx s THR 197 CO 0.05 -0.39 -0.04 -0.44 -0.54 0.00 0.00 174.62 173.27 1fbx s SER 198 N -1.57 1.45 -0.09 3.99 0.01 0.19 -4.97 113.70 112.70 1fbx s SER 198 Ca -0.12 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.01 1fbx s SER 198 Cb -0.05 -0.53 -0.02 0.00 0.21 0.00 0.00 66.02 65.63 1fbx s SER 198 CO 0.01 -0.12 -0.13 -0.76 0.41 0.00 0.00 173.24 172.65 1fbx s LEU 199 N 1.45 2.75 0.35 2.44 1.43 -1.26 -1.16 118.68 124.68 1fbx s LEU 199 Ca -0.02 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1fbx s LEU 199 Cb -0.13 -1.59 -0.07 0.00 0.03 0.00 0.00 46.19 44.43 1fbx s LEU 199 CO -0.03 0.25 -0.05 -0.83 0.23 0.00 0.00 176.35 175.92 1fbx s GLY 200 N -0.15 2.22 0.00 -3.19 0.00 -0.28 -4.54 107.32 101.38 1fbx s GLY 200 Ca -0.00 -2.12 0.00 0.00 0.00 0.00 0.00 44.72 42.59 1fbx s GLY 200 CO 0.03 -2.01 0.00 0.61 0.00 0.00 0.00 173.10 171.73 1fbx n GLY 201 N -0.80 2.24 0.03 0.20 0.00 -0.66 -0.82 105.19 105.38 1fbx n GLY 201 Ca -0.05 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.87 1fbx n GLY 201 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fbx n LEU 202 N 0.00 0.11 0.16 0.99 4.77 -1.26 -0.27 117.00 121.50 1fbx n LEU 202 Ca 0.00 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.59 1fbx n LEU 202 Cb 0.00 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 40.61 1fbx n LEU 202 CO 0.00 -0.52 0.52 -0.26 -1.33 0.00 0.00 177.39 175.80 1fbx h PHE 203 N 0.00 0.00 0.02 -1.77 0.04 -1.28 -2.29 116.94 111.67 1fbx h PHE 203 Ca 0.00 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.40 1fbx h PHE 203 Cb 0.06 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.15 1fbx h PHE 203 CO 0.00 0.29 -2.32 1.17 -0.60 0.00 0.00 178.31 176.85 1fbx n LYS 204 N -3.12 0.68 -0.02 1.51 4.81 0.63 -3.89 118.16 118.75 1fbx n LYS 204 Ca 0.02 0.15 -0.13 0.00 -0.87 0.00 0.00 58.31 57.48 1fbx n LYS 204 Cb 0.66 -1.57 -0.14 0.00 0.02 0.00 0.00 35.03 33.99 1fbx n LYS 204 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1fbx n SER 205 N -3.18 1.21 -4.53 3.14 3.41 -0.21 -4.84 113.62 108.62 1fbx n SER 205 Ca -0.39 0.30 -0.42 0.00 -0.26 0.00 0.00 58.87 58.10 1fbx n SER 205 Cb 1.04 -0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 64.69 1fbx n SER 205 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1fbx s SER 206 N -6.34 6.32 0.24 4.04 0.15 -0.86 -4.94 113.70 112.32 1fbx s SER 206 Ca -0.11 -0.23 -0.05 0.00 0.70 0.00 0.00 55.95 56.26 1fbx s SER 206 Cb 0.07 -2.29 0.46 0.00 -1.71 0.00 0.00 66.02 62.55 1fbx s SER 206 CO 0.80 -0.64 1.71 -0.61 1.20 0.00 0.00 173.24 175.69 1fbx h GLN 207 N 8.69 0.34 0.39 5.44 5.75 -1.88 -0.46 115.11 133.37 1fbx h GLN 207 Ca -0.26 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.21 1fbx h GLN 207 Cb 1.11 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.57 1fbx h GLN 207 CO 0.84 0.22 -0.32 -0.97 -2.65 0.00 0.00 178.83 175.95 1fbx h ASN 208 N 0.35 -0.86 0.19 -0.69 -1.24 -1.92 -2.71 115.58 108.70 1fbx h ASN 208 Ca 0.41 0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.50 1fbx h ASN 208 Cb 0.67 0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.98 1fbx h ASN 208 CO -0.46 -0.47 -0.24 0.74 -1.29 0.00 0.00 177.43 175.71 1fbx h THR 209 N -0.72 0.48 -0.51 -3.57 2.02 -1.61 -2.50 112.91 106.50 1fbx h THR 209 Ca -0.03 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.25 1fbx h THR 209 Cb 0.63 0.48 -0.10 0.00 -1.74 0.00 0.00 68.15 67.41 1fbx h THR 209 CO -0.02 0.00 -0.26 -0.09 0.37 0.00 0.00 175.52 175.52 1fbx h ARG 210 N -0.48 -0.14 0.00 6.66 2.43 -1.12 -1.57 114.38 120.16 1fbx h ARG 210 Ca 0.01 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1fbx h ARG 210 Cb 0.47 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1fbx h ARG 210 CO -0.09 -0.09 -0.00 0.45 -1.51 0.00 0.00 179.97 178.73 1fbx h HIS 211 N -0.14 0.00 -0.26 2.20 3.86 -1.41 -2.14 115.15 117.26 1fbx h HIS 211 Ca 0.23 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1fbx h HIS 211 Cb 0.50 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1fbx h HIS 211 CO -0.54 0.00 0.02 0.93 0.86 0.00 0.00 177.93 179.21 1fbx h GLU 212 N 0.00 0.44 -0.01 2.45 5.08 -0.83 -0.45 114.58 121.25 1fbx h GLU 212 Ca -0.00 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1fbx h GLU 212 Cb 0.67 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1fbx h GLU 212 CO 0.00 0.58 0.00 0.35 -1.00 0.00 0.00 179.01 178.94 1fbx h PHE 213 N 0.23 0.02 -0.81 4.33 3.57 -1.23 -2.82 116.94 120.23 1fbx h PHE 213 Ca 0.08 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1fbx h PHE 213 Cb 0.37 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 1fbx h PHE 213 CO 0.03 0.21 0.53 -0.07 -2.23 0.00 0.00 178.31 176.78 1fbx h LEU 214 N -0.18 0.83 -0.78 0.59 3.38 -1.36 -0.41 115.31 117.39 1fbx h LEU 214 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1fbx h LEU 214 Cb 0.20 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1fbx h LEU 214 CO -0.00 0.56 0.45 -0.09 0.09 0.00 0.00 178.44 179.45 1fbx h ARG 215 N 0.96 1.07 0.22 1.13 2.43 -0.97 -2.96 114.38 116.26 1fbx h ARG 215 Ca 0.33 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1fbx h ARG 215 Cb 0.09 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1fbx h ARG 215 CO -0.10 0.77 -0.11 0.00 -1.51 0.00 0.00 179.97 179.03 1fbx h ALA 216 N 1.24 -0.29 -1.70 2.80 0.00 -0.99 -3.45 119.26 116.87 1fbx h ALA 216 Ca 0.28 -0.11 -0.63 0.00 0.00 0.00 0.00 54.91 54.45 1fbx h ALA 216 Cb -0.00 0.11 0.11 0.00 0.00 0.00 0.00 17.79 18.00 1fbx h ALA 216 CO -0.05 -0.60 -0.01 0.28 0.00 0.00 0.00 179.25 178.87 1fbx n VAL 217 N -5.16 1.83 -0.69 0.00 0.31 -0.28 -4.43 118.33 109.91 1fbx n VAL 217 Ca -0.09 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 1fbx n VAL 217 Cb 0.18 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 1fbx n VAL 217 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1fbx n ARG 218 N 0.93 0.00 -3.51 5.55 3.00 -1.26 -4.98 116.66 116.39 1fbx n ARG 218 Ca 0.12 0.23 -0.30 0.00 -0.00 0.00 0.00 57.85 57.90 1fbx n ARG 218 Cb 0.29 -0.69 -0.08 0.00 0.00 0.00 0.00 32.46 31.98 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 -0.28 3.49 -1.54 -0.14 8.25 -1.26 -5.03 115.22 118.71 1fbx n HIS 219 Ca 0.00 -4.02 -0.24 0.00 -0.26 0.00 0.00 57.72 53.20 1fbx n HIS 219 Cb 0.05 -0.72 -0.09 0.00 1.12 0.00 0.00 29.99 30.35 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 1.31 0.99 -0.46 4.41 -0.00 -1.26 -4.85 115.22 115.36 1fbx n HIS 220 Ca 0.26 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.51 1fbx n HIS 220 Cb 0.38 -2.27 0.00 0.00 -0.12 0.00 0.00 29.99 27.99 1fbx n HIS 220 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89