#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 -4.46 3.54 2.88 -1.26 -5.17 113.62 109.16 1fbx n SER 2 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1fbx n SER 2 Cb 0.00 0.35 -0.11 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 -4.10 2.29 0.17 2.46 1.43 -1.26 -4.74 118.68 114.92 1fbx s LEU 3 Ca 0.00 -1.35 0.08 0.00 -1.03 0.00 0.00 54.13 51.84 1fbx s LEU 3 Cb 0.00 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 1fbx s LEU 3 CO 0.00 -0.55 -0.07 -0.94 0.23 0.00 0.00 176.35 175.01 1fbx s SER 4 N -3.49 4.41 0.16 2.29 1.04 -1.26 -4.97 113.70 111.87 1fbx s SER 4 Ca 0.35 -0.50 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 1fbx s SER 4 Cb 0.08 -0.82 0.11 0.00 0.10 0.00 0.00 66.02 65.50 1fbx s SER 4 CO 0.15 0.11 1.19 0.29 0.98 0.00 0.00 173.24 175.96 1fbx n LYS 5 N 0.10 -0.23 -0.03 4.02 5.02 -1.26 -1.10 118.16 124.68 1fbx n LYS 5 Ca -0.11 1.18 -0.13 0.00 -2.02 0.00 0.00 58.31 57.23 1fbx n LYS 5 Cb 0.55 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 33.73 1fbx n LYS 5 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1fbx h GLU 6 N 0.00 0.16 -0.88 1.97 3.07 -1.97 -2.32 114.58 114.62 1fbx h GLU 6 Ca 0.22 -0.08 0.19 0.00 -0.50 0.00 0.00 59.36 59.19 1fbx h GLU 6 Cb 0.42 -0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.22 1fbx h GLU 6 CO -0.75 0.57 0.41 0.00 -1.40 0.00 0.00 179.01 177.84 1fbx h ALA 7 N 0.59 1.37 0.28 3.43 0.00 -1.47 -0.22 119.26 123.24 1fbx h ALA 7 Ca 0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1fbx h ALA 7 Cb 0.53 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1fbx h ALA 7 CO 0.01 -0.23 -0.13 0.00 0.00 0.00 0.00 179.25 178.90 1fbx h ALA 8 N 1.64 -0.38 -0.22 0.00 0.00 -1.11 -2.08 119.26 117.12 1fbx h ALA 8 Ca 0.52 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.32 1fbx h ALA 8 Cb 0.89 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1fbx h ALA 8 CO -0.46 -0.57 -0.28 -0.07 0.00 0.00 0.00 179.25 177.88 1fbx h LEU 9 N -0.65 -0.88 -0.32 0.00 3.38 -0.73 0.15 115.31 116.26 1fbx h LEU 9 Ca -0.04 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1fbx h LEU 9 Cb 0.46 0.40 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1fbx h LEU 9 CO 0.06 -0.31 0.12 0.58 0.09 0.00 0.00 178.44 178.99 1fbx h VAL 10 N -0.30 0.93 0.30 1.22 2.07 -1.13 -0.36 116.25 118.98 1fbx h VAL 10 Ca 0.13 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1fbx h VAL 10 Cb 0.50 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1fbx h VAL 10 CO -0.39 0.05 -0.25 -0.74 0.02 0.00 0.00 177.57 176.26 1fbx h HIS 11 N 0.27 -0.67 -0.35 1.57 -0.00 -0.73 -0.55 115.15 114.69 1fbx h HIS 11 Ca 0.14 0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.59 1fbx h HIS 11 Cb 0.09 0.26 -0.08 0.00 -0.00 0.00 0.00 27.41 27.67 1fbx h HIS 11 CO -0.13 -0.38 -0.26 0.93 -0.00 0.00 0.00 177.93 178.10 1fbx h GLU 12 N -0.57 -0.21 -0.70 5.26 5.08 -0.50 -1.51 114.58 121.44 1fbx h GLU 12 Ca -0.02 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1fbx h GLU 12 Cb 0.51 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 1fbx h GLU 12 CO -0.03 -0.14 0.32 0.00 -1.00 0.00 0.00 179.01 178.17 1fbx h ALA 13 N 0.90 0.96 0.02 3.43 0.00 -0.72 0.98 119.26 124.82 1fbx h ALA 13 Ca 0.17 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1fbx h ALA 13 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1fbx h ALA 13 CO -0.48 -0.10 -0.01 -0.07 0.00 0.00 0.00 179.25 178.59 1fbx h LEU 14 N 0.54 -0.02 -1.01 0.00 3.38 -0.46 -1.65 115.31 116.09 1fbx h LEU 14 Ca 0.35 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1fbx h LEU 14 Cb 0.41 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1fbx h LEU 14 CO -0.29 0.12 0.66 0.58 0.09 0.00 0.00 178.44 179.60 1fbx h VAL 15 N -0.16 1.18 -0.29 1.22 2.07 -0.79 0.25 116.25 119.74 1fbx h VAL 15 Ca -0.00 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.13 1fbx h VAL 15 Cb 0.15 -0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.66 1fbx h VAL 15 CO 0.00 0.23 0.01 0.00 0.02 0.00 0.00 177.57 177.83 1fbx h ALA 16 N 1.41 0.26 -0.00 1.67 0.00 -0.54 -1.24 119.26 120.82 1fbx h ALA 16 Ca 0.40 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1fbx h ALA 16 Cb -0.01 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1fbx h ALA 16 CO -0.12 -0.40 -0.09 0.54 0.00 0.00 0.00 179.25 179.17 1fbx n ARG 17 N -5.15 0.34 -2.91 0.00 3.00 -0.64 -4.93 116.66 106.37 1fbx n ARG 17 Ca -0.00 -0.07 -0.10 0.00 -0.01 0.00 0.00 57.85 57.67 1fbx n ARG 17 Cb 0.15 -1.50 0.03 0.00 0.00 0.00 0.00 32.46 31.14 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 1.37 0.30 0.00 -0.13 0.00 0.72 -4.94 105.19 102.50 1fbx n GLY 18 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.38 1.28 -4.63 0.99 4.77 -0.15 -5.01 117.00 111.88 1fbx n LEU 19 Ca -0.01 -1.28 -0.30 0.00 -0.03 0.00 0.00 56.01 54.39 1fbx n LEU 19 Cb 0.53 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.81 1fbx n LEU 19 CO 0.27 0.32 0.62 -0.70 -1.33 0.00 0.00 177.39 176.57 1fbx s GLU 20 N -0.31 0.42 0.29 3.23 -6.30 -1.22 -4.84 118.70 109.96 1fbx s GLU 20 Ca 0.00 1.01 -0.29 0.00 -2.50 0.00 0.00 54.97 53.19 1fbx s GLU 20 Cb 0.00 -1.70 -0.09 0.00 0.00 0.00 0.00 34.13 32.34 1fbx s GLU 20 CO 0.00 -2.87 1.01 0.99 0.02 0.00 0.00 175.26 174.41 1fbx s THR 21 N -2.70 3.84 -0.65 -1.70 2.01 -1.26 -4.90 115.64 110.28 1fbx s THR 21 Ca 0.66 1.75 -0.26 0.00 0.31 0.00 0.00 61.69 64.15 1fbx s THR 21 Cb -0.22 -4.07 -0.12 0.00 0.01 0.00 0.00 72.50 68.11 1fbx s THR 21 CO 0.60 0.34 2.44 -2.65 -0.69 0.00 0.00 174.62 174.66 1fbx n PRO 22 N 1.06 0.75 -4.43 4.92 -0.02 -1.26 -4.89 135.00 131.14 1fbx n PRO 22 Ca -0.00 -0.21 -0.25 0.00 -2.02 0.00 0.00 63.50 61.02 1fbx n PRO 22 Cb 0.47 -3.16 -0.11 0.00 -0.02 0.00 0.00 33.50 30.68 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 11.94 2.51 0.29 2.45 1.02 -1.26 -5.16 118.68 130.46 1fbx s LEU 23 Ca 1.03 -0.94 0.11 0.00 0.02 0.00 0.00 54.13 54.35 1fbx s LEU 23 Cb -0.32 -1.07 -0.05 0.00 0.02 0.00 0.00 46.19 44.77 1fbx s LEU 23 CO 0.26 0.05 -0.15 -0.13 0.02 0.00 0.00 176.35 176.40 1fbx s ARG 24 N -3.09 1.82 0.64 1.70 0.52 -1.26 -5.11 118.95 114.16 1fbx s ARG 24 Ca 0.24 -1.72 -0.18 0.00 -0.52 0.00 0.00 55.73 53.55 1fbx s ARG 24 Cb -0.06 -1.84 -0.01 0.00 0.52 0.00 0.00 34.95 33.56 1fbx s ARG 24 CO 0.11 0.31 1.22 -2.14 0.02 0.00 0.00 175.30 174.83 1fbx s PRO 25 N -3.56 2.70 0.00 3.54 0.02 -1.26 -4.82 135.00 131.63 1fbx s PRO 25 Ca 0.31 1.84 0.15 0.00 0.02 0.00 0.00 61.00 63.31 1fbx s PRO 25 Cb -0.04 -1.89 0.87 0.00 0.02 0.00 0.00 34.50 33.45 1fbx s PRO 25 CO 0.16 -1.42 1.29 -2.30 -0.33 0.00 0.00 177.00 174.40 1fbx n PRO 26 N -1.93 0.51 0.00 5.54 -0.02 -1.26 -4.88 135.00 132.96 1fbx n PRO 26 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1fbx n PRO 26 Cb 0.50 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 -0.95 0.00 -4.26 -1.45 0.31 -1.26 -4.58 118.33 106.14 1fbx n VAL 27 Ca 0.11 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.12 1fbx n VAL 27 Cb 0.05 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.89 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 3.00 -0.85 3.52 -3.43 -1.26 -5.01 115.29 111.26 1fbx s HIS 28 Ca 0.00 0.01 -0.22 0.00 -0.80 0.00 0.00 55.06 54.05 1fbx s HIS 28 Cb 0.00 -1.60 -0.19 0.00 -1.43 0.00 0.00 32.58 29.36 1fbx s HIS 28 CO 0.00 0.45 2.08 0.39 -2.00 0.00 0.00 174.74 175.66 1fbx n GLU 29 N 1.11 0.23 -3.36 -0.38 1.02 -1.26 -4.90 120.64 113.10 1fbx n GLU 29 Ca -0.13 -1.07 -0.38 0.00 -0.02 0.00 0.00 57.16 55.56 1fbx n GLU 29 Cb 0.52 -3.25 -0.07 0.00 -0.02 0.00 0.00 31.44 28.62 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 8.11 4.20 0.65 3.49 1.75 -1.26 -5.06 119.30 131.18 1fbx s MET 30 Ca 0.80 0.26 -0.17 0.00 -1.25 0.00 0.00 55.69 55.33 1fbx s MET 30 Cb -0.14 -3.52 -0.01 0.00 2.84 0.00 0.00 34.83 34.00 1fbx s MET 30 CO 0.16 -0.01 1.22 0.34 -0.65 0.00 0.00 175.02 176.08 1fbx s ASP 31 N 0.97 4.77 0.28 1.11 2.15 -1.26 -4.89 116.67 119.79 1fbx s ASP 31 Ca 0.21 2.40 0.12 0.00 0.43 0.00 0.00 52.55 55.70 1fbx s ASP 31 Cb -0.15 -2.60 0.34 0.00 -0.30 0.00 0.00 42.92 40.22 1fbx s ASP 31 CO 0.08 -1.88 1.59 0.78 -0.17 0.00 0.00 175.17 175.58 1fbx h ASN 32 N 0.41 0.00 0.12 -0.34 2.35 -1.99 -2.15 115.58 113.98 1fbx h ASN 32 Ca -0.49 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.15 1fbx h ASN 32 Cb 1.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.66 1fbx h ASN 32 CO 0.53 0.61 -0.36 -0.33 -1.65 0.00 0.00 177.43 176.22 1fbx h GLU 33 N 0.00 0.34 -0.10 0.81 5.08 -1.99 0.04 114.58 118.77 1fbx h GLU 33 Ca -0.01 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1fbx h GLU 33 Cb 1.15 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1fbx h GLU 33 CO 0.08 0.67 -0.02 1.15 -1.00 0.00 0.00 179.01 179.88 1fbx h THR 34 N 0.29 1.29 -0.41 1.13 2.02 -1.90 -0.89 112.91 114.45 1fbx h THR 34 Ca 0.03 -0.94 0.03 0.00 0.77 0.00 0.00 66.41 66.31 1fbx h THR 34 Cb 0.78 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 1fbx h THR 34 CO 0.06 0.27 0.20 0.03 0.37 0.00 0.00 175.52 176.45 1fbx h ARG 35 N -0.14 0.40 -0.31 6.66 3.08 -1.15 -0.96 114.38 121.95 1fbx h ARG 35 Ca 0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1fbx h ARG 35 Cb 0.43 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1fbx h ARG 35 CO 0.01 0.26 0.11 0.87 -1.07 0.00 0.00 179.97 180.16 1fbx h LYS 36 N 0.41 0.48 -0.59 0.04 1.57 -0.93 -0.57 116.57 116.97 1fbx h LYS 36 Ca 0.18 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1fbx h LYS 36 Cb 0.08 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1fbx h LYS 36 CO -0.12 0.50 0.23 0.66 -0.57 0.00 0.00 179.45 180.15 1fbx h SER 37 N 0.35 0.79 0.16 0.86 4.64 -0.91 -0.21 113.55 119.23 1fbx h SER 37 Ca 0.10 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1fbx h SER 37 Cb 0.21 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1fbx h SER 37 CO -0.01 0.71 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.51 1fbx h LEU 38 N 0.85 -0.19 -1.05 5.97 3.38 -0.93 -2.62 115.31 120.73 1fbx h LEU 38 Ca 0.20 -0.19 0.17 0.00 0.09 0.00 0.00 57.88 58.15 1fbx h LEU 38 Cb 0.17 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.87 1fbx h LEU 38 CO -0.02 0.09 0.62 0.40 0.09 0.00 0.00 178.44 179.62 1fbx h ILE 39 N -0.47 0.77 -0.47 1.22 2.04 -0.71 0.13 117.51 120.01 1fbx h ILE 39 Ca -0.02 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1fbx h ILE 39 Cb 0.37 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1fbx h ILE 39 CO 0.04 0.15 0.30 0.00 0.00 0.00 0.00 178.15 178.64 1fbx h ALA 40 N 1.61 0.60 -0.67 1.87 0.00 -0.83 -1.48 119.26 120.35 1fbx h ALA 40 Ca 0.55 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.52 1fbx h ALA 40 Cb 0.80 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 1fbx h ALA 40 CO -0.33 0.06 0.26 0.78 0.00 0.00 0.00 179.25 180.02 1fbx h GLY 41 N 0.63 0.97 1.39 0.00 0.00 -0.39 0.37 103.07 106.04 1fbx h GLY 41 Ca 0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1fbx h GLY 41 CO -0.04 -0.04 -0.05 0.45 0.00 0.00 0.00 176.54 176.86 1fbx h HIS 42 N 0.44 0.79 -0.09 5.60 -0.00 -0.62 -2.11 115.15 119.16 1fbx h HIS 42 Ca 0.35 -0.12 -0.14 0.00 -0.00 0.00 0.00 60.37 60.46 1fbx h HIS 42 Cb 0.46 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1fbx h HIS 42 CO -0.17 0.77 -0.54 0.52 -0.00 0.00 0.00 177.93 178.51 1fbx h MET 43 N 0.68 0.26 -0.68 2.45 2.86 -0.13 -0.09 114.93 120.29 1fbx h MET 43 Ca 0.13 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1fbx h MET 43 Cb 0.50 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 1fbx h MET 43 CO 0.03 0.74 0.41 1.15 1.06 0.00 0.00 176.91 180.30 1fbx h THR 44 N 0.20 1.19 -0.39 2.22 2.02 0.05 -0.06 112.91 118.15 1fbx h THR 44 Ca 0.00 -0.42 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 1fbx h THR 44 Cb 1.02 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1fbx h THR 44 CO 0.09 0.20 0.03 -0.33 0.37 0.00 0.00 175.52 175.88 1fbx h GLU 45 N 0.92 0.66 -0.49 6.66 4.39 -0.84 -1.42 114.58 124.47 1fbx h GLU 45 Ca 0.24 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1fbx h GLU 45 Cb -0.03 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1fbx h GLU 45 CO -0.05 0.74 0.23 0.82 -1.16 0.00 0.00 179.01 179.59 1fbx h ILE 46 N 0.49 1.19 -0.54 3.13 2.04 -0.84 -1.51 117.51 121.47 1fbx h ILE 46 Ca 0.11 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1fbx h ILE 46 Cb 0.42 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1fbx h ILE 46 CO 0.01 0.21 0.35 0.24 0.00 0.00 0.00 178.15 178.97 1fbx h MET 47 N 0.64 0.70 -0.66 2.37 2.86 -0.83 -0.26 114.93 119.75 1fbx h MET 47 Ca 0.17 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1fbx h MET 47 Cb 0.12 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1fbx h MET 47 CO -0.02 0.46 0.15 1.96 1.06 0.00 0.00 176.91 180.52 1fbx h GLN 48 N 0.72 1.05 -0.07 1.72 4.20 -1.08 -0.44 115.11 121.21 1fbx h GLN 48 Ca 0.20 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1fbx h GLN 48 Cb -0.07 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 1fbx h GLN 48 CO -0.05 0.93 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.95 1fbx h LEU 49 N 0.99 0.08 0.00 1.46 3.38 -0.77 0.41 115.31 120.86 1fbx h LEU 49 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1fbx h LEU 49 Cb 0.37 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1fbx h LEU 49 CO 0.00 0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.83 1fbx n LEU 50 N -4.46 0.00 -0.49 1.67 4.77 -0.15 -4.91 117.00 113.43 1fbx n LEU 50 Ca -0.02 0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 56.08 1fbx n LEU 50 Cb 0.14 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1fbx n LEU 50 CO 0.35 -0.00 -0.06 0.59 -1.33 0.00 0.00 177.39 176.94 1fbx n ASN 51 N -1.18 -3.78 -4.82 -1.43 3.02 0.14 -5.03 115.26 102.18 1fbx n ASN 51 Ca 0.18 0.16 -0.33 0.00 -0.03 0.00 0.00 54.58 54.56 1fbx n ASN 51 Cb 0.19 -1.84 -0.03 0.00 -0.61 0.00 0.00 39.78 37.49 1fbx n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fbx s LEU 52 N -1.45 3.71 -0.88 3.41 1.43 -1.03 -4.97 118.68 118.89 1fbx s LEU 52 Ca 0.00 1.71 -0.16 0.00 -1.03 0.00 0.00 54.13 54.65 1fbx s LEU 52 Cb 0.00 -4.53 0.17 0.00 0.03 0.00 0.00 46.19 41.86 1fbx s LEU 52 CO 0.00 -0.69 0.95 -0.62 0.23 0.00 0.00 176.35 176.23 1fbx s ASP 53 N -2.60 6.70 0.00 2.29 -1.08 -1.26 -4.63 116.67 116.08 1fbx s ASP 53 Ca 0.62 -2.36 0.00 0.00 -0.52 0.00 0.00 52.55 50.29 1fbx s ASP 53 Cb -0.12 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1fbx s ASP 53 CO 0.26 -0.82 0.31 0.18 0.52 0.00 0.00 175.17 175.62 1fbx n LEU 54 N 5.30 0.00 0.09 -1.34 4.77 -1.26 -0.82 117.00 123.74 1fbx n LEU 54 Ca 0.19 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.19 1fbx n LEU 54 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1fbx n LEU 54 CO 0.42 0.00 0.09 0.00 -1.33 0.00 0.00 177.39 176.57 1fbx h ALA 55 N 1.53 0.65 -2.23 -1.18 0.00 -1.96 -3.31 119.26 112.76 1fbx h ALA 55 Ca 0.00 -0.60 -0.59 0.00 0.00 0.00 0.00 54.91 53.72 1fbx h ALA 55 Cb 0.00 0.09 0.13 0.00 0.00 0.00 0.00 17.79 18.02 1fbx h ALA 55 CO 0.00 0.71 -0.04 -3.47 0.00 0.00 0.00 179.25 176.45 1fbx n ASP 56 N -3.03 0.50 0.01 0.00 2.03 0.00 -4.81 116.55 111.26 1fbx n ASP 56 Ca -0.03 1.00 0.07 0.00 0.52 0.00 0.00 54.79 56.35 1fbx n ASP 56 Cb 0.77 -1.26 0.31 0.00 -0.72 0.00 0.00 41.12 40.22 1fbx n ASP 56 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1fbx n ASP 57 N 0.80 0.07 -0.12 1.67 5.75 -1.26 -2.42 116.55 121.04 1fbx n ASP 57 Ca 0.10 0.52 -0.26 0.00 -0.01 0.00 0.00 54.79 55.14 1fbx n ASP 57 Cb 0.39 -0.53 -0.11 0.00 -1.03 0.00 0.00 41.12 39.83 1fbx n ASP 57 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1fbx n SER 58 N -1.58 1.95 0.03 -1.12 2.88 -1.26 -4.62 113.62 109.91 1fbx n SER 58 Ca 0.03 0.28 -0.11 0.00 -1.33 0.00 0.00 58.87 57.74 1fbx n SER 58 Cb 0.17 -0.80 0.02 0.00 -0.75 0.00 0.00 64.21 62.84 1fbx n SER 58 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1fbx h LEU 59 N -0.79 0.57 -0.84 2.46 3.38 -1.88 -3.33 115.31 114.88 1fbx h LEU 59 Ca -0.59 -0.37 0.31 0.00 0.09 0.00 0.00 57.88 57.33 1fbx h LEU 59 Cb 1.61 -0.17 -0.15 0.00 0.09 0.00 0.00 40.66 42.04 1fbx h LEU 59 CO -0.30 1.11 0.32 0.80 0.09 0.00 0.00 178.44 180.46 1fbx n MET 60 N -3.87 -0.06 0.00 1.13 1.56 -1.02 0.69 117.12 115.57 1fbx n MET 60 Ca -0.05 1.18 0.13 0.00 -0.27 0.00 0.00 57.70 58.70 1fbx n MET 60 Cb 0.70 -2.05 0.44 0.00 2.15 0.00 0.00 33.22 34.47 1fbx n MET 60 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1fbx n GLU 61 N -4.98 0.02 0.04 2.12 -0.58 -1.25 -4.39 120.64 111.62 1fbx n GLU 61 Ca 0.28 0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.92 1fbx n GLU 61 Cb 0.95 -1.51 -0.05 0.00 -0.57 0.00 0.00 31.44 30.26 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 0.69 -0.83 2.62 2.02 0.05 -0.97 112.91 116.49 1fbx h THR 62 Ca 0.00 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.37 1fbx h THR 62 Cb 0.51 0.69 -0.12 0.00 -1.74 0.00 0.00 68.15 67.50 1fbx h THR 62 CO 0.00 0.00 0.30 -0.65 0.37 0.00 0.00 175.52 175.54 1fbx h PRO 63 N -0.20 0.34 0.00 6.66 0.11 -1.77 0.16 132.00 137.31 1fbx h PRO 63 Ca 0.05 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.01 1fbx h PRO 63 Cb 0.26 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1fbx h PRO 63 CO -0.13 0.22 -0.63 1.25 -0.21 0.00 0.00 178.00 178.50 1fbx h HIS 64 N 0.35 0.00 -0.10 0.65 -0.00 -1.79 -2.36 115.15 111.90 1fbx h HIS 64 Ca 0.50 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.79 1fbx h HIS 64 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.32 1fbx h HIS 64 CO -0.19 0.63 -0.26 0.00 -0.00 0.00 0.00 177.93 178.11 1fbx h ARG 65 N 0.00 0.36 0.24 5.26 3.08 0.59 -2.56 114.38 121.35 1fbx h ARG 65 Ca -0.01 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1fbx h ARG 65 Cb 1.26 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1fbx h ARG 65 CO 0.08 0.85 -0.12 0.82 -1.07 0.00 0.00 179.97 180.54 1fbx h ILE 66 N -0.08 0.79 -0.87 2.04 2.04 -0.90 -1.05 117.51 119.47 1fbx h ILE 66 Ca -0.00 -0.16 0.20 0.00 1.00 0.00 0.00 64.86 65.90 1fbx h ILE 66 Cb 0.86 0.88 -0.12 0.00 -0.74 0.00 0.00 36.82 37.71 1fbx h ILE 66 CO 0.06 0.04 0.39 0.00 0.00 0.00 0.00 178.15 178.63 1fbx h ALA 67 N 0.33 1.37 -0.57 1.87 0.00 -1.48 0.53 119.26 121.30 1fbx h ALA 67 Ca -0.03 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1fbx h ALA 67 Cb 0.31 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1fbx h ALA 67 CO 0.05 -0.29 -0.03 -0.22 0.00 0.00 0.00 179.25 178.76 1fbx h LYS 68 N 0.44 1.01 -0.07 0.00 3.64 -1.01 -2.69 116.57 117.88 1fbx h LYS 68 Ca 0.53 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1fbx h LYS 68 Cb 0.95 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1fbx h LYS 68 CO -0.49 1.01 0.02 1.98 -2.27 0.00 0.00 179.45 179.69 1fbx h MET 69 N 0.92 0.12 0.12 1.90 4.05 0.35 -0.26 114.93 122.12 1fbx h MET 69 Ca 0.16 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1fbx h MET 69 Cb 0.58 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.36 1fbx h MET 69 CO 0.03 0.32 -0.13 1.88 0.23 0.00 0.00 176.91 179.25 1fbx h TYR 70 N -0.10 -0.36 -0.13 1.39 -1.99 -1.07 0.10 116.97 114.81 1fbx h TYR 70 Ca 0.02 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.78 1fbx h TYR 70 Cb 0.26 0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 1fbx h TYR 70 CO 0.01 -0.17 -0.02 0.28 -0.00 0.00 0.00 178.16 178.26 1fbx h VAL 71 N -0.25 0.88 0.00 -2.88 2.07 -1.56 -2.63 116.25 111.88 1fbx h VAL 71 Ca -0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1fbx h VAL 71 Cb 0.22 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1fbx h VAL 71 CO -0.02 0.00 -1.20 0.47 0.02 0.00 0.00 177.57 176.84 1fbx n ASP 72 N -5.15 0.64 0.00 0.57 8.00 -0.11 -4.06 116.55 116.44 1fbx n ASP 72 Ca -0.04 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1fbx n ASP 72 Cb 0.09 0.80 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 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 -2.49 0.00 0.07 -1.24 1.02 0.22 -4.61 120.64 113.60 1fbx n GLU 73 Ca -0.01 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1fbx n GLU 73 Cb 0.54 0.00 0.22 0.00 -0.02 0.00 0.00 31.44 32.18 1fbx n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1fbx n ILE 74 N -0.21 1.49 -0.28 -3.67 -5.35 -0.33 -1.60 119.36 109.41 1fbx n ILE 74 Ca 0.00 0.60 0.00 0.00 -0.27 0.00 0.00 62.75 63.08 1fbx n ILE 74 Cb 0.00 -1.60 0.00 0.00 -1.74 0.00 0.00 39.64 36.30 1fbx n ILE 74 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1fbx n PHE 75 N -1.76 0.00 0.00 4.28 3.72 -0.99 -2.94 117.46 119.76 1fbx n PHE 75 Ca -0.01 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 1fbx n PHE 75 Cb 0.06 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.31 0.00 -0.16 4.37 3.41 -0.62 -1.26 113.62 119.05 1fbx n SER 76 Ca 0.00 0.17 0.13 0.00 -0.26 0.00 0.00 58.87 58.91 1fbx n SER 76 Cb 0.29 -0.17 0.42 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.15 -0.85 0.06 5.00 0.00 0.33 -3.41 105.19 105.17 1fbx n GLY 77 Ca 0.00 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.92 0.44 -4.25 0.99 4.77 -0.39 -4.56 117.00 113.07 1fbx n LEU 78 Ca 0.11 0.55 -0.39 0.00 -0.03 0.00 0.00 56.01 56.25 1fbx n LEU 78 Cb 0.33 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.89 1fbx n LEU 78 CO 0.27 -0.13 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.41 1fbx s ASP 79 N -3.82 5.45 0.00 -1.43 -1.08 -1.22 -4.97 116.67 109.60 1fbx s ASP 79 Ca 0.12 -1.42 0.02 0.00 -0.52 0.00 0.00 52.55 50.74 1fbx s ASP 79 Cb 0.15 -1.92 0.12 0.00 -1.46 0.00 0.00 42.92 39.81 1fbx s ASP 79 CO 0.55 -0.45 0.64 -1.22 0.52 0.00 0.00 175.17 175.21 1fbx n TYR 80 N 4.83 0.00 0.60 -5.34 4.02 -1.26 -1.26 117.16 118.74 1fbx n TYR 80 Ca -0.10 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.91 1fbx n TYR 80 Cb 0.43 -0.04 0.46 0.00 -0.02 0.00 0.00 39.34 40.17 1fbx n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fbx n ALA 81 N -1.04 1.98 0.08 -0.72 0.00 -1.26 -2.35 120.51 117.20 1fbx n ALA 81 Ca 0.01 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1fbx n ALA 81 Cb 0.01 -1.40 0.26 0.00 0.00 0.00 0.00 19.45 18.32 1fbx n ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1fbx n ASN 82 N -1.98 3.62 -4.73 0.00 3.02 -0.39 -4.98 115.26 109.82 1fbx n ASN 82 Ca 0.04 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 1fbx n ASN 82 Cb 0.30 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 1fbx n ASN 82 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1fbx n PHE 83 N 1.54 2.74 -1.72 3.10 7.35 -0.99 -4.90 117.46 124.58 1fbx n PHE 83 Ca 0.21 0.27 -0.39 0.00 -0.76 0.00 0.00 57.45 56.79 1fbx n PHE 83 Cb 0.61 -2.58 0.04 0.00 0.35 0.00 0.00 39.48 37.90 1fbx n PHE 83 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1fbx n PRO 84 N 2.23 1.56 -2.47 -7.13 -0.04 -1.26 -4.91 135.00 122.98 1fbx n PRO 84 Ca 0.09 0.57 -0.43 0.00 -0.04 0.00 0.00 63.50 63.70 1fbx n PRO 84 Cb 0.36 -2.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.30 1fbx n PRO 84 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1fbx s LYS 85 N -2.85 3.67 0.22 0.54 1.02 -1.26 -4.92 119.74 116.16 1fbx s LYS 85 Ca 0.72 0.80 -0.28 0.00 0.02 0.00 0.00 55.97 57.23 1fbx s LYS 85 Cb -0.42 -3.96 -0.09 0.00 -0.52 0.00 0.00 37.83 32.84 1fbx s LYS 85 CO 0.49 -1.45 0.88 0.42 -0.92 0.00 0.00 175.35 174.77 1fbx s ILE 86 N 4.92 4.20 -0.05 2.17 -1.09 -1.26 -5.04 121.20 125.05 1fbx s ILE 86 Ca 0.55 1.91 0.02 0.00 -2.23 0.00 0.00 60.65 60.89 1fbx s ILE 86 Cb -0.11 -4.22 0.02 0.00 -1.58 0.00 0.00 42.46 36.57 1fbx s ILE 86 CO 0.31 0.46 -0.08 0.42 -1.23 0.00 0.00 174.94 174.83 1fbx s THR 87 N -1.22 0.77 0.03 2.92 -4.23 -1.26 -5.11 115.64 107.54 1fbx s THR 87 Ca 0.40 -0.27 0.07 0.00 -1.18 0.00 0.00 61.69 60.72 1fbx s THR 87 Cb -0.24 -0.74 -0.02 0.00 1.34 0.00 0.00 72.50 72.83 1fbx s THR 87 CO 0.29 0.27 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.67 1fbx s LEU 88 N 0.78 2.13 0.19 4.79 1.43 -1.26 -2.12 118.68 124.61 1fbx s LEU 88 Ca -0.13 -0.48 0.10 0.00 -1.03 0.00 0.00 54.13 52.59 1fbx s LEU 88 Cb -0.15 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 1fbx s LEU 88 CO 0.02 0.19 -0.15 0.27 0.23 0.00 0.00 176.35 176.91 1fbx s ILE 89 N -0.70 2.85 0.18 -0.59 -4.36 -0.93 -4.96 121.20 112.69 1fbx s ILE 89 Ca 0.08 -1.82 -0.30 0.00 -0.26 0.00 0.00 60.65 58.34 1fbx s ILE 89 Cb -0.09 -2.40 -0.08 0.00 1.25 0.00 0.00 42.46 41.14 1fbx s ILE 89 CO 0.01 -0.12 1.29 -0.70 0.24 0.00 0.00 174.94 175.66 1fbx s GLU 90 N -2.79 4.40 -0.83 0.37 2.12 -1.26 -1.36 118.70 119.36 1fbx s GLU 90 Ca 0.23 2.01 -0.08 0.00 0.36 0.00 0.00 54.97 57.49 1fbx s GLU 90 Cb -0.08 -3.22 -0.06 0.00 0.26 0.00 0.00 34.13 31.03 1fbx s GLU 90 CO 0.13 -0.24 2.00 -1.71 -0.54 0.00 0.00 175.26 174.90 1fbx n ASN 91 N 2.81 4.22 0.01 -1.70 5.15 -0.30 -4.49 115.26 120.95 1fbx n ASN 91 Ca 0.06 -2.35 -0.06 0.00 -0.60 0.00 0.00 54.58 51.63 1fbx n ASN 91 Cb 0.43 -1.05 0.13 0.00 -0.53 0.00 0.00 39.78 38.75 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 6.68 0.51 0.00 1.20 1.57 -1.90 -2.34 116.57 122.29 1fbx h LYS 92 Ca 0.45 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1fbx h LYS 92 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1fbx h LYS 92 CO 1.49 0.83 0.00 -1.33 -0.57 0.00 0.00 179.45 179.87 1fbx n MET 93 N -4.03 0.00 -3.70 3.15 2.81 -1.26 -4.82 117.12 109.27 1fbx n MET 93 Ca -0.02 0.48 -0.23 0.00 -1.81 0.00 0.00 57.70 56.12 1fbx n MET 93 Cb 0.50 -1.51 0.05 0.00 -0.71 0.00 0.00 33.22 31.55 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 -1.52 -5.86 -2.19 0.03 5.02 -0.88 -4.89 118.16 107.87 1fbx n LYS 94 Ca 0.00 0.69 -0.42 0.00 -2.02 0.00 0.00 58.31 56.56 1fbx n LYS 94 Cb 0.02 -5.49 -0.03 0.00 -0.02 0.00 0.00 35.03 29.50 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 -3.46 3.25 -0.02 -0.18 1.01 -1.26 -4.89 120.40 114.84 1fbx s VAL 95 Ca 0.28 0.96 0.03 0.00 0.00 0.00 0.00 61.98 63.25 1fbx s VAL 95 Cb -0.13 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1fbx s VAL 95 CO 0.79 0.11 0.92 -0.90 0.00 0.00 0.00 175.10 176.02 1fbx n ASP 96 N 3.23 0.53 -4.55 3.32 5.75 -1.26 -4.58 116.55 119.00 1fbx n ASP 96 Ca 0.09 -1.97 -0.25 0.00 -0.01 0.00 0.00 54.79 52.65 1fbx n ASP 96 Cb 0.42 -0.18 -0.10 0.00 -1.03 0.00 0.00 41.12 40.23 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 -0.55 1.85 0.50 0.11 0.41 -1.26 -4.99 118.70 114.77 1fbx s GLU 97 Ca 0.05 -1.85 -0.20 0.00 -0.41 0.00 0.00 54.97 52.57 1fbx s GLU 97 Cb 0.05 -1.78 -0.08 0.00 -1.78 0.00 0.00 34.13 30.54 1fbx s GLU 97 CO 0.01 0.19 1.05 0.00 -0.49 0.00 0.00 175.26 176.02 1fbx s MET 98 N -3.61 3.70 -0.15 1.61 0.23 -1.26 -4.51 119.30 115.31 1fbx s MET 98 Ca 0.32 1.39 -0.02 0.00 -1.03 0.00 0.00 55.69 56.35 1fbx s MET 98 Cb -0.00 -2.08 -0.02 0.00 -1.53 0.00 0.00 34.83 31.20 1fbx s MET 98 CO 0.17 -0.52 -0.07 0.08 -2.03 0.00 0.00 175.02 172.65 1fbx s VAL 99 N -1.98 3.51 -0.14 5.16 1.01 0.34 -4.93 120.40 123.38 1fbx s VAL 99 Ca 0.68 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1fbx s VAL 99 Cb -0.17 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1fbx s VAL 99 CO 0.22 0.50 -0.20 -0.89 0.00 0.00 0.00 175.10 174.73 1fbx s THR 100 N 0.46 2.25 -0.30 3.92 2.01 -1.26 -2.06 115.64 120.66 1fbx s THR 100 Ca -0.06 -0.92 -0.10 0.00 0.31 0.00 0.00 61.69 60.92 1fbx s THR 100 Cb -0.15 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 1fbx s THR 100 CO 0.04 0.54 0.15 -0.69 -0.69 0.00 0.00 174.62 173.97 1fbx s VAL 101 N 0.70 4.64 0.12 3.82 1.01 0.32 -4.99 120.40 126.03 1fbx s VAL 101 Ca -0.09 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1fbx s VAL 101 Cb -0.16 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1fbx s VAL 101 CO 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 175.10 175.19 1fbx s ARG 102 N 1.63 2.38 -1.21 2.72 1.70 -1.26 -1.04 118.95 123.87 1fbx s ARG 102 Ca 0.05 -0.98 -0.02 0.00 -0.47 0.00 0.00 55.73 54.30 1fbx s ARG 102 Cb -0.17 -2.41 -0.01 0.00 -0.57 0.00 0.00 34.95 31.79 1fbx s ARG 102 CO 0.06 0.50 0.87 -0.25 -1.08 0.00 0.00 175.30 175.40 1fbx n ASP 103 N 0.35 -2.66 -4.72 -2.89 8.00 -1.05 -4.97 116.55 108.61 1fbx n ASP 103 Ca -0.11 -0.73 -0.42 0.00 0.71 0.00 0.00 54.79 54.24 1fbx n ASP 103 Cb 0.53 -4.66 -0.03 0.00 -0.02 0.00 0.00 41.12 36.94 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 -3.48 4.43 0.19 0.53 1.01 0.97 -4.79 121.20 120.06 1fbx s ILE 104 Ca 0.10 1.85 -0.31 0.00 0.00 0.00 0.00 60.65 62.29 1fbx s ILE 104 Cb -0.02 -4.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 1fbx s ILE 104 CO 0.77 0.20 1.54 -0.89 0.00 0.00 0.00 174.94 176.56 1fbx s THR 105 N 0.60 2.58 -0.15 2.92 2.01 -1.26 -1.47 115.64 120.87 1fbx s THR 105 Ca 0.52 0.44 -0.04 0.00 0.31 0.00 0.00 61.69 62.92 1fbx s THR 105 Cb -0.25 -3.28 0.06 0.00 0.01 0.00 0.00 72.50 69.04 1fbx s THR 105 CO 0.30 0.05 0.12 -0.22 -0.69 0.00 0.00 174.62 174.18 1fbx s LEU 106 N 0.67 0.16 -0.06 4.42 0.20 -0.91 -4.81 118.68 118.35 1fbx s LEU 106 Ca 0.67 -0.31 0.04 0.00 0.69 0.00 0.00 54.13 55.22 1fbx s LEU 106 Cb -0.44 -0.02 -0.02 0.00 -0.43 0.00 0.00 46.19 45.28 1fbx s LEU 106 CO 0.35 -0.32 -0.18 0.42 -0.29 0.00 0.00 176.35 176.34 1fbx s THR 107 N 2.20 2.73 0.08 3.68 -4.23 -1.26 0.18 115.64 119.02 1fbx s THR 107 Ca 0.04 -0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1fbx s THR 107 Cb -0.15 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.64 1fbx s THR 107 CO -0.08 0.57 0.12 -0.24 -0.54 0.00 0.00 174.62 174.44 1fbx n SER 108 N 2.70 -0.33 -4.00 3.99 2.88 0.18 -4.51 113.62 114.53 1fbx n SER 108 Ca -0.17 -1.38 -0.20 0.00 -1.33 0.00 0.00 58.87 55.79 1fbx n SER 108 Cb 0.52 0.59 -0.15 0.00 -0.75 0.00 0.00 64.21 64.42 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 -2.58 0.74 0.18 2.46 2.01 -1.26 0.20 115.64 117.40 1fbx s THR 109 Ca 0.05 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 1fbx s THR 109 Cb -0.00 -0.66 -0.08 0.00 0.01 0.00 0.00 72.50 71.77 1fbx s THR 109 CO 0.04 0.23 1.18 0.00 -0.69 0.00 0.00 174.62 175.38 1fbx n GLU 111 N 2.46 0.09 0.17 0.00 0.28 -0.10 0.35 120.64 123.89 1fbx n GLU 111 Ca 0.04 0.20 0.12 0.00 -0.16 0.00 0.00 57.16 57.36 1fbx n GLU 111 Cb 0.45 -1.64 0.23 0.00 1.43 0.00 0.00 31.44 31.91 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 -3.39 115.15 111.88 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 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1fbx h HIS 112 CO 0.00 0.00 0.00 0.72 0.86 0.00 0.00 177.93 179.51 1fbx n HIS 113 N -2.79 0.00 -3.38 2.45 8.25 -1.20 -5.04 115.22 113.51 1fbx n HIS 113 Ca 0.04 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.34 1fbx n HIS 113 Cb 0.50 0.02 0.09 0.00 1.12 0.00 0.00 29.99 31.72 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 -2.23 -4.29 4.41 3.01 0.15 -4.99 117.46 113.52 1fbx n PHE 114 Ca 0.00 0.92 -0.20 0.00 1.01 0.00 0.00 57.45 59.18 1fbx n PHE 114 Cb 0.24 -4.88 -0.11 0.00 -0.01 0.00 0.00 39.48 34.71 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 -3.36 1.61 0.23 -4.37 1.01 -1.23 -4.88 120.40 109.41 1fbx s VAL 115 Ca 0.09 -1.82 -0.31 0.00 0.00 0.00 0.00 61.98 59.94 1fbx s VAL 115 Cb -0.01 -1.70 -0.14 0.00 0.00 0.00 0.00 36.38 34.53 1fbx s VAL 115 CO 0.73 -0.35 1.36 0.41 0.00 0.00 0.00 175.10 177.26 1fbx n THR 116 N 0.43 0.94 -4.70 3.92 -1.04 -1.26 -0.15 114.28 112.42 1fbx n THR 116 Ca -0.14 -0.23 -0.32 0.00 -2.04 0.00 0.00 64.05 61.31 1fbx n THR 116 Cb 0.57 -1.36 -0.17 0.00 -1.82 0.00 0.00 70.33 67.55 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 -0.08 1.96 -0.17 12.58 1.01 0.54 -1.43 121.20 135.61 1fbx s ILE 117 Ca 0.69 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1fbx s ILE 117 Cb -0.69 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.08 1fbx s ILE 117 CO 0.50 0.53 -0.13 -0.62 0.00 0.00 0.00 174.94 175.22 1fbx s ASP 118 N 0.79 3.02 0.00 3.58 2.15 -0.14 0.50 116.67 126.58 1fbx s ASP 118 Ca -0.08 -0.67 0.00 0.00 0.43 0.00 0.00 52.55 52.23 1fbx s ASP 118 Cb -0.16 -1.23 0.00 0.00 -0.30 0.00 0.00 42.92 41.24 1fbx s ASP 118 CO -0.01 -0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 1fbx n GLY 119 N 4.72 3.41 2.91 2.66 0.00 0.13 -0.14 105.19 118.88 1fbx n GLY 119 Ca -0.16 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 1fbx n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fbx s LYS 120 N 0.15 0.23 0.04 1.61 3.01 0.48 -2.14 119.74 123.12 1fbx s LYS 120 Ca 0.00 -0.09 0.07 0.00 -1.01 0.00 0.00 55.97 54.94 1fbx s LYS 120 Cb 0.00 -0.23 -0.03 0.00 -1.01 0.00 0.00 37.83 36.55 1fbx s LYS 120 CO 0.00 0.05 -0.18 0.00 0.51 0.00 0.00 175.35 175.73 1fbx s ALA 121 N 0.01 2.60 -0.09 5.17 0.00 -0.54 -1.05 121.76 127.86 1fbx s ALA 121 Ca 0.00 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.80 1fbx s ALA 121 Cb -0.02 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.37 1fbx s ALA 121 CO -0.00 0.57 -0.15 0.99 0.00 0.00 0.00 175.76 177.17 1fbx s THR 122 N -0.92 1.42 -0.02 0.00 2.01 0.01 -0.02 115.64 118.12 1fbx s THR 122 Ca 0.15 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.57 1fbx s THR 122 Cb -0.10 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 1fbx s THR 122 CO 0.05 0.42 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.58 1fbx s VAL 123 N 0.81 1.06 0.01 3.82 1.01 -0.21 -1.52 120.40 125.39 1fbx s VAL 123 Ca -0.11 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1fbx s VAL 123 Cb -0.16 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1fbx s VAL 123 CO 0.02 0.31 -0.00 0.00 0.00 0.00 0.00 175.10 175.42 1fbx s ALA 124 N -0.16 0.04 0.10 5.51 0.00 -0.65 -0.52 121.76 126.08 1fbx s ALA 124 Ca 0.02 -0.45 -0.15 0.00 0.00 0.00 0.00 51.96 51.38 1fbx s ALA 124 Cb -0.07 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1fbx s ALA 124 CO 0.00 -0.15 0.36 1.52 0.00 0.00 0.00 175.76 177.50 1fbx s TYR 125 N -1.26 -0.15 -0.35 0.00 1.13 -0.88 -0.85 117.35 114.98 1fbx s TYR 125 Ca -0.14 -0.12 -0.06 0.00 -1.41 0.00 0.00 57.07 55.35 1fbx s TYR 125 Cb -0.08 0.19 0.06 0.00 -1.10 0.00 0.00 41.96 41.02 1fbx s TYR 125 CO -0.01 -0.64 0.13 0.42 -2.51 0.00 0.00 175.55 172.94 1fbx s ILE 126 N -3.48 3.70 0.20 -3.49 1.01 -1.06 -0.51 121.20 117.58 1fbx s ILE 126 Ca 0.01 -1.31 -0.33 0.00 0.00 0.00 0.00 60.65 59.03 1fbx s ILE 126 Cb 0.02 -3.18 -0.14 0.00 0.01 0.00 0.00 42.46 39.17 1fbx s ILE 126 CO -0.10 -0.28 1.48 -2.65 0.00 0.00 0.00 174.94 173.40 1fbx n PRO 127 N 4.78 2.07 0.00 2.79 -0.02 -1.26 -4.83 135.00 138.53 1fbx n PRO 127 Ca -0.11 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1fbx n PRO 127 Cb 0.44 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 2.65 0.00 -0.01 -0.52 4.81 -1.26 -4.77 118.16 119.06 1fbx n LYS 128 Ca 0.14 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.51 1fbx n LYS 128 Cb 0.30 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.22 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 -2.75 3.14 3.32 -1.90 -3.45 116.42 114.78 1fbx h ASP 129 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 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 0.93 -0.78 -0.94 -1.72 0.00 0.00 179.24 176.73 1fbx s SER 130 N -6.08 3.36 -0.26 6.45 1.04 -1.26 -1.15 113.70 115.80 1fbx s SER 130 Ca -0.04 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.45 1fbx s SER 130 Cb 0.08 -0.26 0.06 0.00 0.10 0.00 0.00 66.02 66.01 1fbx s SER 130 CO 0.82 0.04 -0.07 -0.69 0.98 0.00 0.00 173.24 174.32 1fbx s VAL 131 N -2.23 1.94 0.51 5.02 1.01 -0.46 -4.71 120.40 121.48 1fbx s VAL 131 Ca 0.25 -1.55 -0.20 0.00 0.00 0.00 0.00 61.98 60.47 1fbx s VAL 131 Cb -0.06 -2.14 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 1fbx s VAL 131 CO 0.12 -0.11 1.10 -0.51 0.00 0.00 0.00 175.10 175.70 1fbx s ILE 132 N 1.19 3.38 0.42 2.22 2.07 -1.26 -2.19 121.20 127.03 1fbx s ILE 132 Ca -0.06 0.88 -0.26 0.00 -1.41 0.00 0.00 60.65 59.80 1fbx s ILE 132 Cb -0.19 -3.36 -0.09 0.00 0.13 0.00 0.00 42.46 38.94 1fbx s ILE 132 CO -0.06 -0.17 1.41 -0.83 -1.91 0.00 0.00 174.94 173.39 1fbx s GLY 133 N -1.80 2.93 0.10 1.50 0.00 -0.90 -4.92 107.32 104.22 1fbx s GLY 133 Ca 0.70 1.44 -0.30 0.00 0.00 0.00 0.00 44.72 46.56 1fbx s GLY 133 CO 0.25 2.07 1.62 1.41 0.00 0.00 0.00 173.10 178.45 1fbx h LEU 134 N 2.61 -0.92 -1.81 0.66 3.38 -1.93 -2.38 115.31 114.93 1fbx h LEU 134 Ca -0.51 0.08 0.10 0.00 0.09 0.00 0.00 57.88 57.65 1fbx h LEU 134 Cb 1.25 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 1fbx h LEU 134 CO 0.62 -0.46 0.51 0.77 0.09 0.00 0.00 178.44 179.97 1fbx h SER 135 N -0.68 0.00 -0.23 -0.43 4.64 -2.01 -1.32 113.55 113.52 1fbx h SER 135 Ca -0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 1fbx h SER 135 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1fbx h SER 135 CO -0.08 0.00 -0.07 0.11 -0.87 0.00 0.00 176.83 175.91 1fbx h LYS 136 N 0.00 0.59 -0.48 4.77 1.79 -1.80 -2.17 116.57 119.28 1fbx h LYS 136 Ca 0.16 -0.16 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1fbx h LYS 136 Cb 1.18 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.74 1fbx h LYS 136 CO -0.00 0.67 0.00 0.82 -1.08 0.00 0.00 179.45 179.86 1fbx h ILE 137 N 0.55 1.24 0.15 1.86 2.04 -1.35 0.76 117.51 122.76 1fbx h ILE 137 Ca 0.11 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1fbx h ILE 137 Cb 0.46 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1fbx h ILE 137 CO 0.02 0.35 -0.07 0.78 0.00 0.00 0.00 178.15 179.23 1fbx h ASN 138 N 0.74 -0.17 -0.78 1.72 2.35 -1.60 -2.01 115.58 115.84 1fbx h ASN 138 Ca 0.14 -0.14 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1fbx h ASN 138 Cb 0.44 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.80 1fbx h ASN 138 CO 0.02 0.05 0.48 0.03 -1.65 0.00 0.00 177.43 176.35 1fbx h ARG 139 N -0.38 0.86 -0.36 0.81 3.08 -1.00 0.13 114.38 117.52 1fbx h ARG 139 Ca -0.02 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1fbx h ARG 139 Cb 0.30 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1fbx h ARG 139 CO 0.03 0.57 -0.11 0.82 -1.07 0.00 0.00 179.97 180.21 1fbx h ILE 140 N 0.88 1.24 -0.08 2.04 2.04 -0.84 0.87 117.51 123.66 1fbx h ILE 140 Ca 0.33 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 1fbx h ILE 140 Cb 0.13 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1fbx h ILE 140 CO -0.16 0.36 -0.04 0.58 0.00 0.00 0.00 178.15 178.89 1fbx h VAL 141 N 0.58 1.33 -0.64 1.67 2.07 -0.54 -2.93 116.25 117.78 1fbx h VAL 141 Ca 0.10 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 1fbx h VAL 141 Cb 0.53 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1fbx h VAL 141 CO 0.03 0.30 0.34 1.56 0.02 0.00 0.00 177.57 179.82 1fbx h GLN 142 N -0.20 0.89 0.37 1.57 1.08 -0.55 -2.22 115.11 116.05 1fbx h GLN 142 Ca 0.02 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1fbx h GLN 142 Cb 0.49 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 1fbx h GLN 142 CO 0.01 0.67 -0.43 0.35 -0.95 0.00 0.00 178.83 178.48 1fbx h PHE 143 N 0.90 -1.18 0.00 2.96 3.57 -0.72 -1.28 116.94 121.18 1fbx h PHE 143 Ca 0.23 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1fbx h PHE 143 Cb 0.05 0.47 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1fbx h PHE 143 CO 0.01 -0.57 0.00 0.74 -2.23 0.00 0.00 178.31 176.25 1fbx h PHE 144 N -0.83 0.00 0.00 0.41 0.04 -1.42 -2.75 116.94 112.39 1fbx h PHE 144 Ca -0.03 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.51 1fbx h PHE 144 Cb 0.75 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.87 1fbx h PHE 144 CO -0.26 0.00 -1.26 0.00 -0.60 0.00 0.00 178.31 176.19 1fbx h ALA 145 N 2.16 0.53 -0.01 2.45 0.00 -0.70 -3.36 119.26 120.34 1fbx h ALA 145 Ca 0.00 -1.10 -0.71 0.00 0.00 0.00 0.00 54.91 53.10 1fbx h ALA 145 Cb 0.28 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1fbx h ALA 145 CO 0.00 1.34 3.17 1.04 0.00 0.00 0.00 179.25 184.80 1fbx n GLN 146 N -3.21 2.90 -3.46 0.00 1.13 -0.57 -4.31 117.38 109.86 1fbx n GLN 146 Ca -0.07 -2.59 -0.12 0.00 -1.94 0.00 0.00 57.00 52.28 1fbx n GLN 146 Cb 0.97 -3.26 -0.03 0.00 0.11 0.00 0.00 30.24 28.03 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 3.12 1.13 0.16 -1.09 0.52 -1.15 -0.51 118.95 121.12 1fbx s ARG 147 Ca 0.48 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 55.09 1fbx s ARG 147 Cb 0.14 0.52 -0.07 0.00 0.52 0.00 0.00 34.95 36.06 1fbx s ARG 147 CO -0.09 -0.47 1.18 -2.14 0.02 0.00 0.00 175.30 173.81 1fbx s PRO 148 N -3.11 4.50 0.28 3.54 0.02 -1.26 -4.06 135.00 134.90 1fbx s PRO 148 Ca -0.00 1.83 0.02 0.00 0.02 0.00 0.00 61.00 62.87 1fbx s PRO 148 Cb -0.01 -3.27 -0.05 0.00 0.02 0.00 0.00 34.50 31.20 1fbx s PRO 148 CO -0.08 -0.10 0.11 -0.65 -0.33 0.00 0.00 177.00 175.95 1fbx s GLN 149 N 0.00 1.48 -0.07 5.54 -1.52 -0.25 -4.77 119.66 120.07 1fbx s GLN 149 Ca 0.53 -1.82 0.01 0.00 -1.95 0.00 0.00 55.36 52.14 1fbx s GLN 149 Cb -0.32 -0.30 0.02 0.00 -0.22 0.00 0.00 33.01 32.20 1fbx s GLN 149 CO 0.35 -0.32 -0.07 0.54 -0.25 0.00 0.00 175.29 175.54 1fbx s VAL 150 N -3.68 0.84 0.24 1.09 0.11 -1.26 -0.93 120.40 116.82 1fbx s VAL 150 Ca 0.37 -0.25 -0.07 0.00 -2.93 0.00 0.00 61.98 59.10 1fbx s VAL 150 Cb 0.07 -0.84 0.26 0.00 -1.53 0.00 0.00 36.38 34.34 1fbx s VAL 150 CO 0.14 0.31 1.65 -0.61 -3.33 0.00 0.00 175.10 173.26 1fbx h GLN 151 N 7.53 0.14 -0.91 1.54 4.15 -1.99 0.01 115.11 125.57 1fbx h GLN 151 Ca -0.31 -0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.26 1fbx h GLN 151 Cb 1.15 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 28.71 1fbx h GLN 151 CO 0.43 0.09 0.51 0.93 -1.93 0.00 0.00 178.83 178.85 1fbx h GLU 152 N 0.14 0.67 -0.01 1.69 3.07 -2.00 -0.73 114.58 117.41 1fbx h GLU 152 Ca 0.41 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 59.06 1fbx h GLU 152 Cb 0.72 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1fbx h GLU 152 CO -0.61 0.44 -0.65 -0.09 -1.40 0.00 0.00 179.01 176.69 1fbx h ARG 153 N 0.69 0.46 -0.87 2.33 2.43 -1.47 -3.21 114.38 114.74 1fbx h ARG 153 Ca 0.51 -0.48 0.16 0.00 -0.81 0.00 0.00 59.98 59.35 1fbx h ARG 153 Cb 0.74 0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 30.32 1fbx h ARG 153 CO -0.37 1.13 0.45 1.25 -1.51 0.00 0.00 179.97 180.92 1fbx h LEU 154 N -0.01 0.54 0.84 3.80 5.85 -0.70 -2.02 115.31 123.62 1fbx h LEU 154 Ca -0.08 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1fbx h LEU 154 Cb 1.35 0.01 0.01 0.00 0.37 0.00 0.00 40.66 42.40 1fbx h LEU 154 CO 0.13 0.21 -0.42 0.74 -0.34 0.00 0.00 178.44 178.77 1fbx h THR 155 N 0.62 0.00 -0.87 1.05 2.02 -1.22 -3.08 112.91 111.43 1fbx h THR 155 Ca 0.48 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.86 1fbx h THR 155 Cb 0.70 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.05 1fbx h THR 155 CO -0.38 0.00 0.58 1.56 0.37 0.00 0.00 175.52 177.66 1fbx h GLN 156 N -1.15 0.34 -0.16 6.66 1.08 -1.49 -2.05 115.11 118.34 1fbx h GLN 156 Ca -0.12 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.02 1fbx h GLN 156 Cb 0.88 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.23 1fbx h GLN 156 CO 0.18 0.22 -0.09 1.96 -0.95 0.00 0.00 178.83 180.16 1fbx h GLN 157 N 0.35 0.34 -0.69 1.46 4.20 -1.38 -1.29 115.11 118.10 1fbx h GLN 157 Ca 0.44 -0.16 0.08 0.00 0.06 0.00 0.00 58.65 59.08 1fbx h GLN 157 Cb 1.18 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.89 1fbx h GLN 157 CO -0.14 0.67 0.36 0.82 -0.67 0.00 0.00 178.83 179.86 1fbx h ILE 158 N 0.01 0.89 0.34 2.54 2.04 -1.30 0.23 117.51 122.26 1fbx h ILE 158 Ca 0.03 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1fbx h ILE 158 Cb 0.57 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1fbx h ILE 158 CO 0.03 0.11 -0.17 0.25 0.00 0.00 0.00 178.15 178.37 1fbx h LEU 159 N 0.63 -0.41 0.13 1.44 5.85 -1.21 -2.16 115.31 119.57 1fbx h LEU 159 Ca 0.33 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1fbx h LEU 159 Cb 0.30 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1fbx h LEU 159 CO -0.24 -0.29 -0.10 0.40 -0.34 0.00 0.00 178.44 177.87 1fbx h ILE 160 N -0.47 0.78 -0.91 4.05 1.08 -0.63 -1.04 117.51 120.37 1fbx h ILE 160 Ca -0.05 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.58 1fbx h ILE 160 Cb 0.37 0.78 -0.07 0.00 -3.07 0.00 0.00 36.82 34.82 1fbx h ILE 160 CO 0.07 0.00 0.58 0.00 -0.69 0.00 0.00 178.15 178.12 1fbx h ALA 161 N 0.63 1.87 -0.02 1.87 0.00 -0.52 0.16 119.26 123.25 1fbx h ALA 161 Ca -0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1fbx h ALA 161 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1fbx h ALA 161 CO -0.01 -0.14 -0.14 -0.07 0.00 0.00 0.00 179.25 178.89 1fbx h LEU 162 N 0.66 0.16 -0.60 0.00 3.38 -1.00 -1.66 115.31 116.25 1fbx h LEU 162 Ca 0.47 -0.68 0.12 0.00 0.09 0.00 0.00 57.88 57.87 1fbx h LEU 162 Cb 0.81 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 1fbx h LEU 162 CO -0.22 0.82 0.10 1.56 0.09 0.00 0.00 178.44 180.78 1fbx h GLN 163 N -0.48 0.21 0.24 1.13 4.20 -0.61 0.79 115.11 120.59 1fbx h GLN 163 Ca -0.01 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1fbx h GLN 163 Cb 0.82 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1fbx h GLN 163 CO 0.03 0.14 -0.11 1.15 -0.67 0.00 0.00 178.83 179.36 1fbx h THR 164 N 0.22 0.81 -0.27 -0.54 2.02 -0.66 0.16 112.91 114.66 1fbx h THR 164 Ca 0.32 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 1fbx h THR 164 Cb 0.48 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1fbx h THR 164 CO -0.43 0.06 -0.16 -0.07 0.37 0.00 0.00 175.52 175.29 1fbx h LEU 165 N -0.46 0.45 -0.09 2.58 3.38 -0.97 -3.02 115.31 117.18 1fbx h LEU 165 Ca -0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1fbx h LEU 165 Cb 0.35 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1fbx h LEU 165 CO 0.05 0.63 -0.54 0.18 0.09 0.00 0.00 178.44 178.85 1fbx n LEU 166 N -4.19 0.69 -3.55 1.67 4.77 0.24 -4.99 117.00 111.65 1fbx n LEU 166 Ca 0.00 -0.13 -0.19 0.00 -0.03 0.00 0.00 56.01 55.65 1fbx n LEU 166 Cb 0.34 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1fbx n LEU 166 CO 0.40 0.16 0.01 0.61 -1.33 0.00 0.00 177.39 177.25 1fbx n GLY 167 N 1.48 -0.42 3.32 -0.72 0.00 0.56 -4.73 105.19 104.68 1fbx n GLY 167 Ca 0.06 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.51 0.06 -2.35 2.61 2.01 -1.08 -4.88 115.64 108.49 1fbx s THR 168 Ca 0.06 -0.48 0.23 0.00 0.31 0.00 0.00 61.69 61.81 1fbx s THR 168 Cb -0.01 -1.01 0.05 0.00 0.01 0.00 0.00 72.50 71.54 1fbx s THR 168 CO 0.77 -0.26 1.14 0.59 -0.69 0.00 0.00 174.62 176.17 1fbx n ASN 169 N 0.31 2.35 -4.52 3.53 3.02 -1.26 -4.36 115.26 114.33 1fbx n ASN 169 Ca -0.18 -1.68 -0.43 0.00 -0.03 0.00 0.00 54.58 52.27 1fbx n ASN 169 Cb 0.61 0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 40.08 1fbx n ASN 169 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1fbx s ASN 170 N -2.32 6.72 -0.02 6.41 0.01 -1.26 -1.14 114.94 123.35 1fbx s ASN 170 Ca 0.22 -2.12 -0.17 0.00 -0.71 0.00 0.00 52.86 50.07 1fbx s ASN 170 Cb 0.19 -2.50 0.03 0.00 0.41 0.00 0.00 41.25 39.38 1fbx s ASN 170 CO 0.48 -1.17 0.36 -0.69 -1.51 0.00 0.00 177.10 174.57 1fbx s VAL 171 N 3.58 0.05 -0.04 1.60 1.01 -1.25 -2.55 120.40 122.81 1fbx s VAL 171 Ca 0.44 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 1fbx s VAL 171 Cb -0.01 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1fbx s VAL 171 CO -0.04 -0.23 0.18 0.00 0.00 0.00 0.00 175.10 175.01 1fbx s ALA 172 N -1.37 -0.43 -0.01 5.51 0.00 -0.03 -1.20 121.76 124.22 1fbx s ALA 172 Ca -0.13 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1fbx s ALA 172 Cb -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1fbx s ALA 172 CO 0.05 -0.14 -0.04 0.08 0.00 0.00 0.00 175.76 175.70 1fbx s VAL 173 N -0.51 0.40 -0.01 0.00 1.01 -0.11 -1.63 120.40 119.56 1fbx s VAL 173 Ca -0.06 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1fbx s VAL 173 Cb -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1fbx s VAL 173 CO 0.01 0.14 -0.03 -0.55 0.00 0.00 0.00 175.10 174.67 1fbx s SER 174 N 0.20 0.40 -0.05 3.32 0.15 -0.58 -0.13 113.70 117.02 1fbx s SER 174 Ca -0.02 -0.05 -0.00 0.00 0.70 0.00 0.00 55.95 56.58 1fbx s SER 174 Cb -0.06 -0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.19 1fbx s SER 174 CO -0.00 0.01 -0.01 -0.63 1.20 0.00 0.00 173.24 173.80 1fbx s ILE 175 N 0.18 0.37 -0.23 6.45 1.01 0.01 -0.81 121.20 128.19 1fbx s ILE 175 Ca -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.66 1fbx s ILE 175 Cb -0.04 -0.47 0.03 0.00 0.01 0.00 0.00 42.46 41.99 1fbx s ILE 175 CO -0.00 0.22 -0.10 -0.62 0.00 0.00 0.00 174.94 174.44 1fbx s ASP 176 N 1.35 4.09 0.10 3.58 2.15 -0.22 -1.51 116.67 126.21 1fbx s ASP 176 Ca -0.05 -0.88 -0.01 0.00 0.43 0.00 0.00 52.55 52.04 1fbx s ASP 176 Cb -0.13 -1.61 -0.04 0.00 -0.30 0.00 0.00 42.92 40.83 1fbx s ASP 176 CO -0.02 -0.11 0.01 0.00 -0.17 0.00 0.00 175.17 174.88 1fbx s ALA 177 N 1.29 0.77 -0.11 3.66 0.00 -0.71 -0.38 121.76 126.28 1fbx s ALA 177 Ca 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 1fbx s ALA 177 Cb -0.16 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1fbx s ALA 177 CO -0.06 -0.42 -0.04 0.08 0.00 0.00 0.00 175.76 175.32 1fbx s VAL 178 N -3.95 3.96 -0.36 0.00 1.01 0.80 -1.58 120.40 120.28 1fbx s VAL 178 Ca 0.17 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1fbx s VAL 178 Cb 0.07 -2.68 0.04 0.00 0.00 0.00 0.00 36.38 33.82 1fbx s VAL 178 CO -0.03 0.56 0.15 -1.00 0.00 0.00 0.00 175.10 174.79 1fbx s HIS 179 N -0.40 3.27 -0.28 5.22 3.76 -1.26 -0.96 115.29 124.64 1fbx s HIS 179 Ca 0.07 -1.34 0.24 0.00 -0.15 0.00 0.00 55.06 53.88 1fbx s HIS 179 Cb -0.12 -2.43 1.15 0.00 1.11 0.00 0.00 32.58 32.29 1fbx s HIS 179 CO 0.02 -0.73 1.74 1.88 -0.85 0.00 0.00 174.74 176.80 1fbx h TYR 180 N 8.30 0.00 -0.02 1.40 -1.99 -1.56 0.28 116.97 123.37 1fbx h TYR 180 Ca -0.23 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.50 1fbx h TYR 180 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 1fbx h TYR 180 CO 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.75 1fbx n VAL 182 N -0.66 0.82 -0.06 0.00 0.31 0.85 -4.49 118.33 115.11 1fbx n VAL 182 Ca 0.20 -0.33 -0.17 0.00 -0.01 0.00 0.00 64.34 64.03 1fbx n VAL 182 Cb 0.15 -0.98 -0.13 0.00 -0.91 0.00 0.00 33.84 31.97 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 0.06 0.00 5.55 3.64 -1.13 -1.88 116.57 122.81 1fbx h LYS 183 Ca -0.32 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1fbx h LYS 183 Cb 1.51 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 1fbx h LYS 183 CO -0.04 1.05 0.00 0.00 -2.27 0.00 0.00 179.45 178.19 1fbx n ALA 184 N -2.86 1.93 -3.83 5.00 0.00 0.19 -4.24 120.51 116.70 1fbx n ALA 184 Ca -0.18 0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 1fbx n ALA 184 Cb 0.62 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 -3.24 1.67 5.56 0.00 3.00 -1.24 -4.97 118.95 119.73 1fbx s ARG 185 Ca 0.07 -0.95 0.00 0.00 -1.00 0.00 0.00 55.73 53.85 1fbx s ARG 185 Cb 0.10 0.55 0.00 0.00 0.00 0.00 0.00 34.95 35.61 1fbx s ARG 185 CO 0.49 -0.77 0.00 0.41 0.00 0.00 0.00 175.30 175.43 1fbx n GLY 186 N -0.48 1.46 0.16 8.12 0.00 -1.26 -2.44 105.19 110.75 1fbx n GLY 186 Ca -0.05 0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 1.18 -6.02 -0.61 6.09 -1.88 -3.48 117.51 112.79 1fbx h ILE 187 Ca 0.00 -1.89 -0.39 0.00 -1.37 0.00 0.00 64.86 61.21 1fbx h ILE 187 Cb 0.00 2.08 0.10 0.00 0.47 0.00 0.00 36.82 39.47 1fbx h ILE 187 CO 0.00 0.51 -0.89 0.54 -3.07 0.00 0.00 178.15 175.24 1fbx n ARG 188 N -3.65 -2.52 -3.12 2.19 1.74 -0.86 -4.93 116.66 105.52 1fbx n ARG 188 Ca -0.01 0.59 -0.44 0.00 -0.77 0.00 0.00 57.85 57.23 1fbx n ARG 188 Cb 0.58 -4.81 -0.06 0.00 -1.02 0.00 0.00 32.46 27.15 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 -3.72 6.24 0.51 0.55 -1.08 -0.76 -4.92 116.67 113.48 1fbx s ASP 189 Ca 0.33 -0.82 0.30 0.00 -0.52 0.00 0.00 52.55 51.83 1fbx s ASP 189 Cb -0.09 -2.31 1.01 0.00 -1.46 0.00 0.00 42.92 40.07 1fbx s ASP 189 CO 0.82 -0.92 1.85 0.00 0.52 0.00 0.00 175.17 177.44 1fbx h ALA 190 N 9.02 1.00 0.00 3.66 0.00 -1.87 -3.35 119.26 127.72 1fbx h ALA 190 Ca -0.27 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1fbx h ALA 190 Cb 1.09 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1fbx h ALA 190 CO 0.97 0.02 -2.05 0.25 0.00 0.00 0.00 179.25 178.45 1fbx n THR 191 N -3.11 0.42 -2.26 0.00 -2.24 -1.26 -5.03 114.28 100.79 1fbx n THR 191 Ca 0.02 -0.58 -0.34 0.00 -2.27 0.00 0.00 64.05 60.89 1fbx n THR 191 Cb 0.39 -0.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.47 1fbx n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1fbx s SER 192 N -4.67 5.97 0.18 3.42 1.04 -1.26 -5.08 113.70 113.31 1fbx s SER 192 Ca -0.08 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.27 1fbx s SER 192 Cb 0.11 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1fbx s SER 192 CO 0.83 -1.04 0.06 0.00 0.98 0.00 0.00 173.24 174.07 1fbx s ALA 193 N -2.17 1.25 -0.05 5.32 0.00 -1.26 -4.79 121.76 120.06 1fbx s ALA 193 Ca 0.66 -1.64 0.04 0.00 0.00 0.00 0.00 51.96 51.02 1fbx s ALA 193 Cb -0.17 0.91 0.00 0.00 0.00 0.00 0.00 23.12 23.86 1fbx s ALA 193 CO 0.29 -0.45 -0.15 0.99 0.00 0.00 0.00 175.76 176.44 1fbx s THR 194 N -3.89 1.29 -0.17 0.00 2.01 -0.62 -4.99 115.64 109.27 1fbx s THR 194 Ca 0.30 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.69 1fbx s THR 194 Cb 0.07 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.47 1fbx s THR 194 CO 0.07 0.38 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.29 1fbx s THR 195 N 0.23 2.05 0.18 -0.82 2.01 -1.26 -1.73 115.64 116.30 1fbx s THR 195 Ca -0.07 -0.94 0.10 0.00 0.31 0.00 0.00 61.69 61.09 1fbx s THR 195 Cb -0.12 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1fbx s THR 195 CO 0.03 0.54 -0.20 0.42 -0.69 0.00 0.00 174.62 174.72 1fbx s THR 196 N 1.24 2.63 -0.12 -0.82 -4.23 -0.57 -4.98 115.64 108.79 1fbx s THR 196 Ca 0.04 -1.86 -0.19 0.00 -1.18 0.00 0.00 61.69 58.50 1fbx s THR 196 Cb -0.13 -2.26 0.04 0.00 1.34 0.00 0.00 72.50 71.49 1fbx s THR 196 CO -0.12 -0.08 0.47 0.42 -0.54 0.00 0.00 174.62 174.77 1fbx s THR 197 N -1.60 0.01 -0.15 3.99 -4.23 -1.26 -0.81 115.64 111.60 1fbx s THR 197 Ca 0.21 -0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1fbx s THR 197 Cb -0.09 -0.71 0.04 0.00 1.34 0.00 0.00 72.50 73.08 1fbx s THR 197 CO 0.11 -0.06 -0.03 -0.44 -0.54 0.00 0.00 174.62 173.65 1fbx s SER 198 N -0.34 2.65 -0.13 3.99 0.01 0.82 -4.97 113.70 115.71 1fbx s SER 198 Ca -0.05 -0.59 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 1fbx s SER 198 Cb -0.03 -0.80 -0.02 0.00 0.21 0.00 0.00 66.02 65.38 1fbx s SER 198 CO 0.03 -0.20 -0.12 -0.76 0.41 0.00 0.00 173.24 172.60 1fbx s LEU 199 N 1.71 2.80 0.33 2.44 1.43 -1.26 -0.93 118.68 125.20 1fbx s LEU 199 Ca 0.01 -0.30 0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1fbx s LEU 199 Cb -0.15 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.37 1fbx s LEU 199 CO -0.07 0.16 -0.08 -0.83 0.23 0.00 0.00 176.35 175.76 1fbx s GLY 200 N 0.36 2.11 0.00 -3.19 0.00 -0.34 -4.49 107.32 101.76 1fbx s GLY 200 Ca -0.10 -2.05 0.00 0.00 0.00 0.00 0.00 44.72 42.57 1fbx s GLY 200 CO 0.05 -1.99 0.00 0.61 0.00 0.00 0.00 173.10 171.78 1fbx n GLY 201 N -0.74 1.99 0.40 0.20 0.00 -0.29 -2.59 105.19 104.16 1fbx n GLY 201 Ca -0.05 -0.47 0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 0.35 -2.67 0.99 3.38 -1.94 0.32 115.31 115.73 1fbx h LEU 202 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1fbx h LEU 202 Cb 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1fbx h LEU 202 CO 0.00 0.15 0.02 -0.26 0.09 0.00 0.00 178.44 178.44 1fbx h PHE 203 N 0.36 0.00 0.00 1.13 0.04 -1.76 0.21 116.94 116.91 1fbx h PHE 203 Ca 0.43 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.74 1fbx h PHE 203 Cb 1.11 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.19 1fbx h PHE 203 CO -0.00 0.00 -2.54 1.17 -0.60 0.00 0.00 178.31 176.34 1fbx n LYS 204 N -3.51 0.60 0.04 1.51 4.81 0.97 -4.12 118.16 118.45 1fbx n LYS 204 Ca -0.03 0.25 -0.09 0.00 -0.87 0.00 0.00 58.31 57.58 1fbx n LYS 204 Cb 0.09 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.59 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 -0.87 -0.18 -2.67 3.14 4.64 -1.03 -3.45 113.55 113.13 1fbx h SER 205 Ca -0.69 -0.29 -0.56 0.00 -0.47 0.00 0.00 61.79 59.78 1fbx h SER 205 Cb 1.65 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.77 1fbx h SER 205 CO -0.38 0.39 1.10 -0.55 -0.87 0.00 0.00 176.83 176.52 1fbx s SER 206 N -5.47 6.55 0.18 4.97 0.15 0.72 -4.91 113.70 115.88 1fbx s SER 206 Ca -0.10 1.96 -0.11 0.00 0.70 0.00 0.00 55.95 58.40 1fbx s SER 206 Cb 0.00 -2.53 0.09 0.00 -1.71 0.00 0.00 66.02 61.86 1fbx s SER 206 CO 0.36 -1.07 1.71 -0.61 1.20 0.00 0.00 173.24 174.84 1fbx h GLN 207 N 10.04 0.97 0.41 5.44 5.75 -1.87 -1.54 115.11 134.32 1fbx h GLN 207 Ca -0.36 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 57.92 1fbx h GLN 207 Cb 1.16 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 1fbx h GLN 207 CO 0.97 0.85 -0.29 -0.97 -2.65 0.00 0.00 178.83 176.74 1fbx h ASN 208 N 0.90 -0.76 -0.71 -0.69 -1.24 -1.91 -2.84 115.58 108.33 1fbx h ASN 208 Ca 0.20 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 1fbx h ASN 208 Cb 0.28 0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.54 1fbx h ASN 208 CO -0.01 -0.45 0.42 0.74 -1.29 0.00 0.00 177.43 176.84 1fbx h THR 209 N -0.69 1.21 -0.31 -3.57 2.02 -1.81 -2.92 112.91 106.84 1fbx h THR 209 Ca -0.04 -0.47 0.07 0.00 0.77 0.00 0.00 66.41 66.74 1fbx h THR 209 Cb 0.59 0.23 -0.08 0.00 -1.74 0.00 0.00 68.15 67.15 1fbx h THR 209 CO 0.01 0.22 -0.33 -0.09 0.37 0.00 0.00 175.52 175.69 1fbx h ARG 210 N 0.97 -0.30 0.00 6.66 2.43 -1.14 -2.58 114.38 120.42 1fbx h ARG 210 Ca 0.25 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.40 1fbx h ARG 210 Cb -0.02 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1fbx h ARG 210 CO -0.05 -0.20 -0.23 0.45 -1.51 0.00 0.00 179.97 178.44 1fbx h HIS 211 N -0.31 0.00 0.00 2.20 3.86 -1.47 -1.38 115.15 118.05 1fbx h HIS 211 Ca 0.14 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 1fbx h HIS 211 Cb 0.54 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1fbx h HIS 211 CO -0.50 0.23 -0.25 0.93 0.86 0.00 0.00 177.93 179.19 1fbx h GLU 212 N 0.00 0.00 0.02 2.45 5.08 -1.27 0.11 114.58 120.97 1fbx h GLU 212 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1fbx h GLU 212 Cb 0.91 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1fbx h GLU 212 CO 0.03 0.25 -1.11 0.35 -1.00 0.00 0.00 179.01 177.53 1fbx h PHE 213 N 0.00 0.06 0.00 4.33 3.57 -1.29 -2.97 116.94 120.64 1fbx h PHE 213 Ca -0.00 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1fbx h PHE 213 Cb 0.50 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1fbx h PHE 213 CO 0.00 1.43 0.00 -0.07 -2.23 0.00 0.00 178.31 177.44 1fbx h LEU 214 N -0.89 0.00 0.00 0.59 3.38 -1.23 -1.67 115.31 115.50 1fbx h LEU 214 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1fbx h LEU 214 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1fbx h LEU 214 CO -0.14 0.00 -0.03 -0.09 0.09 0.00 0.00 178.44 178.27 1fbx h ARG 215 N 0.00 0.01 0.00 1.13 2.43 -1.08 -3.29 114.38 113.58 1fbx h ARG 215 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1fbx h ARG 215 Cb 0.20 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1fbx h ARG 215 CO 0.00 0.94 -0.05 0.00 -1.51 0.00 0.00 179.97 179.35 1fbx h ALA 216 N 0.08 1.21 -2.69 2.80 0.00 -1.27 -3.44 119.26 115.94 1fbx h ALA 216 Ca -0.01 -0.05 -0.51 0.00 0.00 0.00 0.00 54.91 54.35 1fbx h ALA 216 Cb 0.95 -0.01 0.08 0.00 0.00 0.00 0.00 17.79 18.81 1fbx h ALA 216 CO 0.01 0.07 0.47 0.08 0.00 0.00 0.00 179.25 179.87 1fbx s VAL 217 N -4.17 3.01 0.00 0.00 1.01 -0.67 -4.52 120.40 115.04 1fbx s VAL 217 Ca -0.03 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1fbx s VAL 217 Cb 0.13 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1fbx s VAL 217 CO 0.53 -0.08 0.00 -1.14 0.00 0.00 0.00 175.10 174.41 1fbx n ARG 218 N -0.98 0.00 -3.31 2.72 3.00 -1.26 -5.01 116.66 111.82 1fbx n ARG 218 Ca 0.10 0.33 -0.32 0.00 -0.00 0.00 0.00 57.85 57.96 1fbx n ARG 218 Cb 0.49 -0.99 -0.05 0.00 0.00 0.00 0.00 32.46 31.91 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 -0.43 3.25 -1.54 -0.14 8.25 -1.26 -5.02 115.22 118.33 1fbx n HIS 219 Ca 0.00 -3.69 -0.26 0.00 -0.26 0.00 0.00 57.72 53.51 1fbx n HIS 219 Cb 0.10 -0.78 -0.10 0.00 1.12 0.00 0.00 29.99 30.33 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 1.02 0.96 -0.41 4.41 -0.00 -1.26 -4.87 115.22 115.07 1fbx n HIS 220 Ca 0.29 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.55 1fbx n HIS 220 Cb 0.38 -2.23 0.00 0.00 -0.12 0.00 0.00 29.99 28.03 1fbx n HIS 220 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89