#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udd s MET 4 N 0.00 4.15 0.21 7.34 -1.94 -1.26 -4.88 119.30 122.92 1udd s MET 4 Ca 0.00 2.05 -0.18 0.00 -1.71 0.00 0.00 55.69 55.85 1udd s MET 4 Cb 0.00 -2.85 0.20 0.00 2.01 0.00 0.00 34.83 34.18 1udd s MET 4 CO 0.00 -0.30 1.58 0.82 -0.01 0.00 0.00 175.02 177.11 1udd h ILE 5 N 2.63 0.15 -0.80 2.53 2.04 -1.90 -0.52 117.51 121.64 1udd h ILE 5 Ca -0.49 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.45 1udd h ILE 5 Cb 1.23 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 1udd h ILE 5 CO 0.64 0.00 0.46 0.74 0.00 0.00 0.00 178.15 179.99 1udd h THR 6 N -0.09 0.95 -0.10 -0.27 2.02 -1.90 -0.10 112.91 113.42 1udd h THR 6 Ca 0.29 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 1udd h THR 6 Cb 0.56 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1udd h THR 6 CO -0.77 0.15 -0.30 0.44 0.37 0.00 0.00 175.52 175.41 1udd h ASP 7 N 0.81 0.18 -0.16 4.18 3.32 -1.50 -1.63 116.42 121.62 1udd h ASP 7 Ca 0.37 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 1udd h ASP 7 Cb 0.28 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1udd h ASP 7 CO -0.22 0.48 -0.05 0.11 -1.72 0.00 0.00 179.24 177.84 1udd h LYS 8 N 0.16 0.32 -0.49 3.56 1.57 -0.34 -1.22 116.57 120.13 1udd h LYS 8 Ca 0.02 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1udd h LYS 8 Cb 0.62 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 1udd h LYS 8 CO 0.04 0.61 0.24 -0.07 -0.57 0.00 0.00 179.45 179.70 1udd h LEU 9 N 0.01 0.33 -0.49 2.94 3.38 -0.76 0.52 115.31 121.24 1udd h LEU 9 Ca 0.04 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1udd h LEU 9 Cb 0.50 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1udd h LEU 9 CO 0.02 0.23 0.29 -0.09 0.09 0.00 0.00 178.44 178.98 1udd h ARG 10 N 0.47 0.57 -0.61 1.13 9.65 -1.22 -2.45 114.38 121.92 1udd h ARG 10 Ca 0.22 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.06 1udd h ARG 10 Cb 0.14 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 1udd h ARG 10 CO -0.16 0.38 0.36 -0.09 2.80 0.00 0.00 179.97 183.25 1udd h ARG 11 N 0.59 0.84 0.00 0.20 1.12 -0.32 -2.01 114.38 114.80 1udd h ARG 11 Ca 0.20 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.98 1udd h ARG 11 Cb 0.02 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 29.81 1udd h ARG 11 CO -0.09 0.62 0.00 -0.25 -3.11 0.00 0.00 179.97 177.13 1udd n ASP 12 N -4.59 0.00 -0.13 -3.80 8.00 0.09 -3.01 116.55 113.11 1udd n ASP 12 Ca 0.04 -0.88 0.04 0.00 0.71 0.00 0.00 54.79 54.70 1udd n ASP 12 Cb 0.07 -0.03 0.06 0.00 -0.02 0.00 0.00 41.12 41.19 1udd n ASP 12 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1udd n SER 13 N -1.03 1.47 -0.15 -2.24 3.41 -0.95 -4.86 113.62 109.27 1udd n SER 13 Ca 0.23 -2.29 -0.02 0.00 -0.26 0.00 0.00 58.87 56.52 1udd n SER 13 Cb 0.12 -0.21 0.06 0.00 -0.26 0.00 0.00 64.21 63.92 1udd n SER 13 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1udd h GLU 14 N 0.00 0.11 -0.79 4.33 4.22 -1.27 -1.83 114.58 119.34 1udd h GLU 14 Ca 0.00 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.47 1udd h GLU 14 Cb 0.94 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 1udd h GLU 14 CO 0.00 0.07 0.52 1.96 -2.18 0.00 0.00 179.01 179.38 1udd h GLN 15 N 0.11 0.94 -0.13 1.92 4.20 -1.89 -1.81 115.11 118.44 1udd h GLN 15 Ca 0.25 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.75 1udd h GLN 15 Cb 0.37 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 27.94 1udd h GLN 15 CO -0.41 0.62 -0.48 0.97 -0.67 0.00 0.00 178.83 178.85 1udd h ILE 16 N 0.96 1.35 -0.07 2.54 6.09 -1.74 -3.01 117.51 123.64 1udd h ILE 16 Ca 0.31 -1.77 -0.06 0.00 -1.37 0.00 0.00 64.86 61.97 1udd h ILE 16 Cb 0.05 2.08 -0.01 0.00 0.47 0.00 0.00 36.82 39.41 1udd h ILE 16 CO -0.09 0.54 -0.23 -0.50 -3.07 0.00 0.00 178.15 174.79 1udd h TRP 17 N 0.19 0.13 -0.69 2.19 4.06 -1.19 -0.69 115.95 119.95 1udd h TRP 17 Ca -0.02 -0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.87 1udd h TRP 17 Cb 1.11 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 29.21 1udd h TRP 17 CO 0.10 0.35 0.27 0.87 -3.56 0.00 0.00 178.44 176.48 1udd h LYS 18 N 0.11 1.02 -0.03 0.49 1.79 -1.31 -0.59 116.57 118.05 1udd h LYS 18 Ca 0.02 -0.17 -0.12 0.00 -2.18 0.00 0.00 60.65 58.19 1udd h LYS 18 Cb 0.48 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1udd h LYS 18 CO 0.03 0.83 -0.55 0.87 -1.08 0.00 0.00 179.45 179.56 1udd h LYS 19 N 1.00 0.08 -0.05 3.15 1.57 -1.02 -2.79 116.57 118.51 1udd h LYS 19 Ca 0.23 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1udd h LYS 19 Cb 0.20 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1udd h LYS 19 CO -0.02 0.61 -0.03 0.82 -0.57 0.00 0.00 179.45 180.26 1udd h ILE 20 N 0.06 1.34 -0.98 1.86 2.04 -0.61 -1.97 117.51 119.25 1udd h ILE 20 Ca -0.00 -1.06 0.13 0.00 1.00 0.00 0.00 64.86 64.93 1udd h ILE 20 Cb 0.98 1.95 -0.08 0.00 -0.74 0.00 0.00 36.82 38.93 1udd h ILE 20 CO 0.08 0.29 0.62 -0.26 0.00 0.00 0.00 178.15 178.87 1udd h PHE 21 N -0.30 1.07 -0.71 1.37 0.04 -1.09 -2.10 116.94 115.21 1udd h PHE 21 Ca 0.01 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1udd h PHE 21 Cb 0.48 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1udd h PHE 21 CO 0.07 0.39 0.00 0.39 -0.60 0.00 0.00 178.31 178.57 1udd n GLU 22 N -4.62 2.81 -1.83 1.51 -0.58 -1.06 -4.48 120.64 112.38 1udd n GLU 22 Ca 0.19 -2.65 -0.41 0.00 -0.42 0.00 0.00 57.16 53.86 1udd n GLU 22 Cb 0.41 -1.58 -0.01 0.00 -0.57 0.00 0.00 31.44 29.69 1udd n GLU 22 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1udd s HIS 23 N -1.06 2.75 0.36 -0.32 2.46 -0.74 -4.76 115.29 113.98 1udd s HIS 23 Ca 0.48 0.96 0.12 0.00 0.47 0.00 0.00 55.06 57.09 1udd s HIS 23 Cb 0.25 -4.00 0.92 0.00 -0.13 0.00 0.00 32.58 29.62 1udd s HIS 23 CO 0.32 -3.20 1.81 -1.35 -2.47 0.00 0.00 174.74 169.85 1udd h PRO 24 N 4.23 0.57 -0.04 2.88 0.11 -1.90 0.28 132.00 138.13 1udd h PRO 24 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1udd h PRO 24 Cb 1.23 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1udd h PRO 24 CO 0.74 0.37 0.01 0.35 -0.21 0.00 0.00 178.00 179.26 1udd h PHE 25 N 0.58 0.06 0.54 0.65 3.57 -1.89 -1.29 116.94 119.15 1udd h PHE 25 Ca 0.53 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 62.00 1udd h PHE 25 Cb 1.07 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.79 1udd h PHE 25 CO -0.00 0.23 -0.26 0.28 -2.23 0.00 0.00 178.31 176.33 1udd h VAL 26 N -0.13 0.47 -0.30 1.41 2.07 -1.62 -1.02 116.25 117.13 1udd h VAL 26 Ca 0.01 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.56 1udd h VAL 26 Cb 0.20 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 1udd h VAL 26 CO -0.00 0.01 -0.17 0.58 0.02 0.00 0.00 177.57 178.01 1udd h VAL 27 N -0.75 0.50 -0.21 2.57 2.07 -0.97 -1.58 116.25 117.89 1udd h VAL 27 Ca -0.07 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 1udd h VAL 27 Cb 0.57 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1udd h VAL 27 CO 0.12 0.00 -0.30 1.56 0.02 0.00 0.00 177.57 178.97 1udd h GLN 28 N -0.13 0.41 -0.04 1.57 4.20 -1.23 -0.45 115.11 119.43 1udd h GLN 28 Ca 0.16 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1udd h GLN 28 Cb 0.37 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1udd h GLN 28 CO -0.39 0.67 0.02 1.25 -0.67 0.00 0.00 178.83 179.72 1udd h LEU 29 N 0.36 0.06 -0.91 1.46 6.46 -0.56 0.25 115.31 122.42 1udd h LEU 29 Ca 0.05 -0.11 -0.09 0.00 -0.12 0.00 0.00 57.88 57.61 1udd h LEU 29 Cb 0.71 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 1udd h LEU 29 CO 0.05 0.15 -0.43 1.88 -0.62 0.00 0.00 178.44 179.48 1udd h TYR 30 N -0.04 0.00 0.00 1.25 -1.99 -1.17 -3.03 116.97 111.99 1udd h TYR 30 Ca 0.02 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.59 1udd h TYR 30 Cb 0.11 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.82 1udd h TYR 30 CO -0.04 0.43 -0.91 0.66 -0.00 0.00 0.00 178.16 178.30 1udd h SER 31 N 0.00 0.00 0.00 3.88 4.64 -0.88 -3.23 113.55 117.96 1udd h SER 31 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1udd h SER 31 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1udd h SER 31 CO 0.06 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 1udd n GLY 32 N 1.32 0.63 0.06 -0.77 0.00 0.75 -4.45 105.19 102.72 1udd n GLY 32 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1udd n GLY 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1udd n THR 33 N -1.72 0.32 -1.72 2.61 -1.04 -0.52 -4.73 114.28 107.48 1udd n THR 33 Ca 0.00 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.41 1udd n THR 33 Cb 0.00 -0.33 -0.03 0.00 -1.82 0.00 0.00 70.33 68.16 1udd n THR 33 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1udd s LEU 34 N -3.90 4.41 0.23 -4.42 2.96 -0.94 -4.92 118.68 112.11 1udd s LEU 34 Ca 0.10 2.68 -0.31 0.00 -0.22 0.00 0.00 54.13 56.38 1udd s LEU 34 Cb 0.15 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 43.17 1udd s LEU 34 CO 0.63 -1.02 1.68 -2.65 -1.32 0.00 0.00 176.35 173.67 1udd n PRO 35 N 6.55 2.72 -0.29 0.98 -0.02 -1.26 -4.84 135.00 138.85 1udd n PRO 35 Ca 0.19 0.98 0.25 0.00 -2.02 0.00 0.00 63.50 62.90 1udd n PRO 35 Cb 0.40 -2.80 0.59 0.00 -0.02 0.00 0.00 33.50 31.67 1udd n PRO 35 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1udd h LEU 36 N 6.09 0.29 -0.64 2.45 5.85 -1.97 -0.18 115.31 127.19 1udd h LEU 36 Ca -0.44 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 1udd h LEU 36 Cb 1.21 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1udd h LEU 36 CO 0.90 0.07 0.26 -0.33 -0.34 0.00 0.00 178.44 179.00 1udd h GLU 37 N 0.26 0.95 -0.83 1.25 4.39 -1.99 -0.30 114.58 118.30 1udd h GLU 37 Ca 0.54 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 1udd h GLU 37 Cb 1.63 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 30.09 1udd h GLU 37 CO -0.18 0.79 0.43 0.87 -1.16 0.00 0.00 179.01 179.77 1udd h LYS 38 N 0.89 1.17 -0.58 2.33 1.57 -1.39 -1.38 116.57 119.18 1udd h LYS 38 Ca 0.21 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1udd h LYS 38 Cb 0.19 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1udd h LYS 38 CO -0.02 0.88 0.28 0.35 -0.57 0.00 0.00 179.45 180.36 1udd h PHE 39 N 1.16 0.84 -0.90 -1.35 3.57 -1.19 -1.89 116.94 117.18 1udd h PHE 39 Ca 0.29 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1udd h PHE 39 Cb 0.07 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 1udd h PHE 39 CO 0.01 0.65 0.52 0.87 -2.23 0.00 0.00 178.31 178.12 1udd h LYS 40 N 0.79 1.24 -0.52 1.11 1.57 -0.53 0.71 116.57 120.94 1udd h LYS 40 Ca 0.20 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1udd h LYS 40 Cb 0.13 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1udd h LYS 40 CO -0.02 0.89 0.28 0.35 -0.57 0.00 0.00 179.45 180.38 1udd h PHE 41 N 1.25 0.72 0.18 -1.35 3.57 -0.89 -1.73 116.94 118.69 1udd h PHE 41 Ca 0.32 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 1udd h PHE 41 Cb -0.01 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.50 1udd h PHE 41 CO 0.01 0.53 -0.09 -0.92 -2.23 0.00 0.00 178.31 175.61 1udd h TYR 42 N 0.70 -0.22 -0.03 0.41 3.20 -0.66 -2.68 116.97 117.68 1udd h TYR 42 Ca 0.18 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.06 1udd h TYR 42 Cb 0.05 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1udd h TYR 42 CO -0.02 -0.08 0.03 0.28 -1.64 0.00 0.00 178.16 176.74 1udd h VAL 43 N -0.32 0.76 0.01 1.81 2.07 -0.73 -1.43 116.25 118.42 1udd h VAL 43 Ca -0.02 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.31 1udd h VAL 43 Cb 0.25 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1udd h VAL 43 CO 0.04 0.00 -0.87 -0.07 0.02 0.00 0.00 177.57 176.69 1udd h LEU 44 N 0.00 0.12 -1.02 2.57 4.07 -1.07 -2.86 115.31 117.12 1udd h LEU 44 Ca 0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 1udd h LEU 44 Cb 0.07 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1udd h LEU 44 CO -0.00 0.93 -0.07 1.56 -1.08 0.00 0.00 178.44 179.78 1udd h GLN 45 N 0.05 0.00 0.00 1.13 1.08 -0.96 -3.15 115.11 113.25 1udd h GLN 45 Ca -0.03 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1udd h GLN 45 Cb 1.52 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.95 1udd h GLN 45 CO 0.12 0.07 -0.03 -0.44 -0.95 0.00 0.00 178.83 177.60 1udd h ASP 46 N 0.00 0.00 0.06 1.46 3.32 -1.16 -2.97 116.42 117.13 1udd h ASP 46 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1udd h ASP 46 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1udd h ASP 46 CO 0.01 0.03 -0.03 0.15 -1.72 0.00 0.00 179.24 177.68 1udd h PHE 47 N 0.00 -0.07 -0.69 4.55 3.57 -1.69 0.34 116.94 122.96 1udd h PHE 47 Ca -0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1udd h PHE 47 Cb 0.24 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 1udd h PHE 47 CO 0.00 0.01 0.45 -0.97 -2.23 0.00 0.00 178.31 175.57 1udd h ASN 48 N -0.13 0.64 -0.30 0.41 -1.24 -1.76 -1.42 115.58 111.78 1udd h ASN 48 Ca -0.01 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.96 1udd h ASN 48 Cb 0.11 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1udd h ASN 48 CO 0.01 0.42 0.02 0.22 -1.29 0.00 0.00 177.43 176.81 1udd h TYR 49 N 0.73 0.56 -0.45 0.67 -0.00 -1.41 0.13 116.97 117.21 1udd h TYR 49 Ca 0.29 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.73 58.92 1udd h TYR 49 Cb 0.22 -0.15 -0.02 0.00 -0.00 0.00 0.00 36.73 36.77 1udd h TYR 49 CO -0.00 0.64 0.24 1.25 -0.00 0.00 0.00 178.16 180.29 1udd h LEU 50 N 0.33 0.56 -0.07 2.82 6.46 -0.12 -0.37 115.31 124.91 1udd h LEU 50 Ca 0.09 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1udd h LEU 50 Cb 0.40 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1udd h LEU 50 CO 0.01 0.49 0.00 0.58 -0.62 0.00 0.00 178.44 178.91 1udd h VAL 51 N 0.59 1.24 -0.72 1.05 2.07 -1.20 -2.34 116.25 116.94 1udd h VAL 51 Ca 0.16 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 66.99 1udd h VAL 51 Cb 0.06 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1udd h VAL 51 CO -0.02 0.21 0.42 1.23 0.02 0.00 0.00 177.57 179.42 1udd h GLY 52 N -0.15 1.06 1.01 2.17 0.00 -0.59 0.78 103.07 107.36 1udd h GLY 52 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1udd h GLY 52 CO 0.00 0.19 0.58 -2.00 0.00 0.00 0.00 176.54 175.30 1udd h LEU 53 N 0.76 1.04 -0.37 3.11 5.85 -1.02 -1.59 115.31 123.09 1udd h LEU 53 Ca 0.32 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 1udd h LEU 53 Cb 0.18 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1udd h LEU 53 CO -0.18 0.76 0.04 0.74 -0.34 0.00 0.00 178.44 179.47 1udd h THR 54 N 1.21 1.25 -0.10 1.05 2.02 -0.64 -1.82 112.91 115.88 1udd h THR 54 Ca 0.32 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.62 1udd h THR 54 Cb -0.11 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1udd h THR 54 CO -0.07 0.30 -0.01 0.03 0.37 0.00 0.00 175.52 176.14 1udd h ARG 55 N 0.47 0.01 -0.74 6.66 3.08 -0.39 -0.83 114.38 122.63 1udd h ARG 55 Ca 0.11 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1udd h ARG 55 Cb 0.40 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 1udd h ARG 55 CO 0.01 0.01 0.42 0.00 -1.07 0.00 0.00 179.97 179.34 1udd h ALA 56 N 1.09 0.95 -0.37 0.04 0.00 -1.25 -1.86 119.26 117.86 1udd h ALA 56 Ca 0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1udd h ALA 56 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1udd h ALA 56 CO -0.09 0.45 -0.00 -0.07 0.00 0.00 0.00 179.25 179.54 1udd h LEU 57 N 1.02 0.55 -0.47 0.00 3.38 -1.07 -0.65 115.31 118.06 1udd h LEU 57 Ca 0.26 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1udd h LEU 57 Cb 0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1udd h LEU 57 CO -0.04 0.62 0.07 0.00 0.09 0.00 0.00 178.44 179.17 1udd h ALA 58 N 1.45 0.63 -0.09 1.53 0.00 -0.57 -0.44 119.26 121.76 1udd h ALA 58 Ca 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1udd h ALA 58 Cb 0.36 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1udd h ALA 58 CO 0.01 0.36 0.03 0.28 0.00 0.00 0.00 179.25 179.94 1udd h VAL 59 N 0.66 1.16 -0.45 0.00 2.07 -0.93 -0.39 116.25 118.36 1udd h VAL 59 Ca 0.14 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.22 1udd h VAL 59 Cb 0.40 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 1udd h VAL 59 CO 0.01 0.14 0.18 0.40 0.02 0.00 0.00 177.57 178.32 1udd h ILE 60 N -0.04 0.88 -0.42 4.57 2.04 -0.92 -1.78 117.51 121.84 1udd h ILE 60 Ca 0.03 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1udd h ILE 60 Cb 0.20 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1udd h ILE 60 CO -0.00 0.07 0.05 0.77 0.00 0.00 0.00 178.15 179.04 1udd h SER 61 N 0.36 0.61 -0.02 1.72 4.64 -0.92 -1.57 113.55 118.37 1udd h SER 61 Ca 0.21 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1udd h SER 61 Cb 0.19 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1udd h SER 61 CO -0.20 0.64 0.03 0.77 -0.87 0.00 0.00 176.83 177.20 1udd h SER 62 N 0.62 0.00 0.00 4.97 4.64 -0.18 -2.30 113.55 121.30 1udd h SER 62 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1udd h SER 62 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1udd h SER 62 CO 0.01 0.00 -0.85 0.29 -0.87 0.00 0.00 176.83 175.40 1udd n LYS 63 N -3.65 1.43 -2.18 4.77 5.02 -0.67 -5.03 118.16 117.84 1udd n LYS 63 Ca -0.02 -0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 55.97 1udd n LYS 63 Cb 0.11 -1.29 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 1udd n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1udd s ALA 64 N -2.62 3.17 0.52 7.82 0.00 -0.70 -4.96 121.76 124.99 1udd s ALA 64 Ca 0.05 -0.40 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 1udd s ALA 64 Cb 0.12 -2.83 -0.06 0.00 0.00 0.00 0.00 23.12 20.35 1udd s ALA 64 CO 0.69 -0.75 0.93 -1.21 0.00 0.00 0.00 175.76 175.42 1udd s GLU 65 N -5.07 3.77 0.25 0.00 0.41 -1.26 -4.57 118.70 112.23 1udd s GLU 65 Ca 0.54 0.72 -0.20 0.00 -0.41 0.00 0.00 54.97 55.62 1udd s GLU 65 Cb -0.11 -2.20 -0.09 0.00 -1.78 0.00 0.00 34.13 29.96 1udd s GLU 65 CO 0.49 -0.30 0.76 -0.47 -0.49 0.00 0.00 175.26 175.25 1udd s TYR 66 N -2.74 3.62 -1.73 1.61 6.14 -1.26 -0.78 117.35 122.20 1udd s TYR 66 Ca 0.55 1.43 0.30 0.00 0.64 0.00 0.00 57.07 59.98 1udd s TYR 66 Cb -0.10 -2.65 1.40 0.00 0.42 0.00 0.00 41.96 41.03 1udd s TYR 66 CO 0.39 0.28 1.96 -0.35 0.64 0.00 0.00 175.55 178.48 1udd n PRO 67 N 0.55 0.76 -0.35 4.97 -0.04 -1.26 -4.89 135.00 134.74 1udd n PRO 67 Ca -0.01 -0.19 -0.01 0.00 -0.04 0.00 0.00 63.50 63.25 1udd n PRO 67 Cb 0.51 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.62 1udd n PRO 67 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1udd h LEU 68 N 0.47 1.09 -1.66 1.53 5.85 -1.67 -0.95 115.31 119.98 1udd h LEU 68 Ca 0.00 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1udd h LEU 68 Cb 0.28 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1udd h LEU 68 CO 0.00 0.78 -0.08 0.00 -0.34 0.00 0.00 178.44 178.80 1udd h MET 69 N 1.29 0.12 -0.20 1.25 -0.00 -1.20 0.11 114.93 116.29 1udd h MET 69 Ca 0.36 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.70 59.94 1udd h MET 69 Cb -0.12 -0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 31.46 1udd h MET 69 CO -0.09 0.21 -0.29 0.00 -0.00 0.00 0.00 176.91 176.75 1udd h ALA 70 N 1.81 0.30 -0.73 -3.00 0.00 -1.47 -1.30 119.26 114.86 1udd h ALA 70 Ca 0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1udd h ALA 70 Cb 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1udd h ALA 70 CO 0.01 0.31 0.35 1.49 0.00 0.00 0.00 179.25 181.41 1udd h GLU 71 N 0.21 1.06 -0.42 0.00 4.81 -0.59 -2.18 114.58 117.46 1udd h GLU 71 Ca 0.02 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 58.96 1udd h GLU 71 Cb 0.86 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1udd h GLU 71 CO 0.07 0.83 -0.27 -0.07 -0.73 0.00 0.00 179.01 178.83 1udd h LEU 72 N 1.03 0.98 -1.29 1.64 4.07 -0.77 -2.86 115.31 118.10 1udd h LEU 72 Ca 0.25 -0.43 -0.07 0.00 0.08 0.00 0.00 57.88 57.72 1udd h LEU 72 Cb 0.12 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 1udd h LEU 72 CO -0.03 1.19 -0.26 0.40 -1.08 0.00 0.00 178.44 178.66 1udd h ILE 73 N 0.77 1.22 -0.62 1.22 2.04 -1.11 -1.17 117.51 119.85 1udd h ILE 73 Ca 0.09 -1.05 -0.09 0.00 1.00 0.00 0.00 64.86 64.81 1udd h ILE 73 Cb 0.86 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1udd h ILE 73 CO 0.08 0.31 0.04 -0.08 0.00 0.00 0.00 178.15 178.50 1udd h GLU 74 N 0.14 1.07 -0.54 2.37 4.57 -1.28 0.47 114.58 121.37 1udd h GLU 74 Ca 0.02 -0.32 -0.09 0.00 -1.18 0.00 0.00 59.36 57.79 1udd h GLU 74 Cb 0.53 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1udd h GLU 74 CO 0.04 1.02 -0.02 1.25 -1.18 0.00 0.00 179.01 180.12 1udd h LEU 75 N 0.98 0.96 -0.53 1.64 5.85 -1.18 0.07 115.31 123.09 1udd h LEU 75 Ca 0.18 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 1udd h LEU 75 Cb 0.51 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1udd h LEU 75 CO 0.02 1.04 0.07 0.00 -0.34 0.00 0.00 178.44 179.24 1udd h ALA 76 N 0.95 0.71 -0.45 1.25 0.00 -0.95 -2.16 119.26 118.61 1udd h ALA 76 Ca 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1udd h ALA 76 Cb 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1udd h ALA 76 CO 0.03 0.46 0.19 -0.09 0.00 0.00 0.00 179.25 179.84 1udd h ARG 77 N 0.77 0.67 -0.63 0.00 1.12 -0.72 -2.67 114.38 112.90 1udd h ARG 77 Ca 0.16 -0.12 -0.01 0.00 -1.11 0.00 0.00 59.98 58.91 1udd h ARG 77 Cb 0.42 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.24 1udd h ARG 77 CO 0.01 0.60 0.36 -0.44 -3.11 0.00 0.00 179.97 177.39 1udd h ASP 78 N 0.58 0.76 -0.23 -3.80 3.32 -0.73 -1.67 116.42 114.66 1udd h ASP 78 Ca 0.15 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.18 1udd h ASP 78 Cb 0.18 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1udd h ASP 78 CO -0.01 0.61 0.07 -0.33 -1.72 0.00 0.00 179.24 177.85 1udd h GLU 79 N 0.87 0.17 -0.20 3.56 4.39 -1.05 0.03 114.58 122.35 1udd h GLU 79 Ca 0.23 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1udd h GLU 79 Cb -0.00 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1udd h GLU 79 CO -0.04 0.11 0.00 1.33 -1.16 0.00 0.00 179.01 179.25 1udd n VAL 80 N -5.05 0.26 0.00 3.13 0.24 -1.10 -3.11 118.33 112.69 1udd n VAL 80 Ca -0.02 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 1udd n VAL 80 Cb 0.08 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1udd n VAL 80 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1udd n THR 81 N 0.47 0.00 -0.17 3.34 -1.04 -0.65 -4.58 114.28 111.66 1udd n THR 81 Ca 0.16 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.16 1udd n THR 81 Cb 0.36 -0.05 0.08 0.00 -1.82 0.00 0.00 70.33 68.90 1udd n THR 81 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1udd h VAL 82 N 0.00 0.65 0.00 12.58 2.07 -1.61 -1.50 116.25 128.44 1udd h VAL 82 Ca 0.00 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1udd h VAL 82 Cb 0.00 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1udd h VAL 82 CO 0.00 0.03 -0.27 -0.33 0.02 0.00 0.00 177.57 177.02 1udd h GLU 83 N 0.19 0.00 -0.37 1.57 4.39 -1.13 -2.18 114.58 117.05 1udd h GLU 83 Ca 0.27 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.81 1udd h GLU 83 Cb 0.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1udd h GLU 83 CO -0.39 0.27 -0.40 0.28 -1.16 0.00 0.00 179.01 177.61 1udd h VAL 84 N 0.00 1.27 -0.52 3.13 2.07 -1.24 -0.59 116.25 120.37 1udd h VAL 84 Ca -0.00 -1.58 -0.04 0.00 0.82 0.00 0.00 66.70 65.90 1udd h VAL 84 Cb 0.67 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1udd h VAL 84 CO 0.04 0.53 0.19 -0.33 0.02 0.00 0.00 177.57 178.01 1udd h GLU 85 N 0.74 0.79 -0.62 1.57 5.08 -0.96 0.32 114.58 121.50 1udd h GLU 85 Ca 0.06 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1udd h GLU 85 Cb 0.99 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1udd h GLU 85 CO 0.10 0.71 0.11 -0.91 -1.00 0.00 0.00 179.01 178.02 1udd h ASN 86 N 0.71 0.95 -0.47 1.42 4.21 -1.33 -1.22 115.58 119.85 1udd h ASN 86 Ca 0.17 -0.21 -0.09 0.00 1.21 0.00 0.00 56.30 57.38 1udd h ASN 86 Cb 0.23 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.17 1udd h ASN 86 CO -0.01 0.94 -0.07 0.22 -1.29 0.00 0.00 177.43 177.22 1udd h TYR 87 N 0.94 0.98 -0.70 1.19 3.20 -0.59 -0.51 116.97 121.49 1udd h TYR 87 Ca 0.19 -0.20 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1udd h TYR 87 Cb 0.39 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1udd h TYR 87 CO 0.03 0.95 0.24 0.28 -1.64 0.00 0.00 178.16 178.02 1udd h VAL 88 N 0.73 1.25 -0.36 1.81 2.07 -0.14 0.63 116.25 122.24 1udd h VAL 88 Ca 0.12 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 1udd h VAL 88 Cb 0.61 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1udd h VAL 88 CO 0.04 0.33 0.04 0.50 0.02 0.00 0.00 177.57 178.49 1udd h LYS 89 N 1.02 0.54 -0.14 1.57 3.64 -0.83 -0.30 116.57 122.07 1udd h LYS 89 Ca 0.23 -0.10 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 1udd h LYS 89 Cb 0.26 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1udd h LYS 89 CO -0.01 0.53 -0.57 1.25 -2.27 0.00 0.00 179.45 178.38 1udd h LEU 90 N 0.52 0.75 -0.97 5.20 5.85 -0.30 -2.94 115.31 123.42 1udd h LEU 90 Ca 0.12 -0.62 0.05 0.00 0.84 0.00 0.00 57.88 58.26 1udd h LEU 90 Cb 0.28 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 1udd h LEU 90 CO 0.00 1.24 0.63 -0.07 -0.34 0.00 0.00 178.44 179.90 1udd h LEU 91 N 0.30 1.03 0.30 2.25 3.38 -0.29 -2.34 115.31 119.94 1udd h LEU 91 Ca -0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1udd h LEU 91 Cb 1.20 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1udd h LEU 91 CO 0.12 0.69 -0.27 0.50 0.09 0.00 0.00 178.44 179.56 1udd h LYS 92 N 1.18 -0.57 -0.58 1.13 3.64 -1.01 0.29 116.57 120.65 1udd h LYS 92 Ca 0.40 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.99 1udd h LYS 92 Cb 0.06 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1udd h LYS 92 CO -0.14 -0.38 0.63 0.93 -2.27 0.00 0.00 179.45 178.22 1udd h GLU 93 N -0.59 0.00 -0.63 1.90 5.08 -1.25 0.75 114.58 119.84 1udd h GLU 93 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1udd h GLU 93 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1udd h GLU 93 CO -0.04 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.25 1udd n LEU 94 N -3.63 4.40 -3.53 1.33 4.77 -0.41 -4.94 117.00 114.98 1udd n LEU 94 Ca 0.12 -2.33 -0.20 0.00 -0.03 0.00 0.00 56.01 53.57 1udd n LEU 94 Cb 0.85 -0.53 0.08 0.00 -2.33 0.00 0.00 43.42 41.48 1udd n LEU 94 CO 0.27 0.84 0.11 0.47 -1.33 0.00 0.00 177.39 177.76 1udd n ASP 95 N 1.13 -2.98 -4.23 -1.43 8.00 0.26 -5.01 116.55 112.29 1udd n ASP 95 Ca 0.24 -0.64 -0.13 0.00 0.71 0.00 0.00 54.79 54.97 1udd n ASP 95 Cb 0.79 -4.88 -0.10 0.00 -0.02 0.00 0.00 41.12 36.91 1udd n ASP 95 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1udd s LEU 96 N -6.66 2.23 0.17 0.64 1.43 0.88 -5.00 118.68 112.37 1udd s LEU 96 Ca 0.16 -1.13 0.06 0.00 -1.03 0.00 0.00 54.13 52.19 1udd s LEU 96 Cb -0.07 -0.10 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 1udd s LEU 96 CO 0.75 -0.52 -0.13 0.42 0.23 0.00 0.00 176.35 177.09 1udd s THR 97 N -3.61 1.49 0.35 5.49 -4.23 -1.26 -3.20 115.64 110.66 1udd s THR 97 Ca 0.21 -2.05 0.10 0.00 -1.18 0.00 0.00 61.69 58.77 1udd s THR 97 Cb 0.06 -1.87 0.33 0.00 1.34 0.00 0.00 72.50 72.36 1udd s THR 97 CO 0.02 -0.59 1.82 0.25 -0.54 0.00 0.00 174.62 175.59 1udd h LEU 98 N 2.87 0.66 -0.98 4.79 6.46 -1.96 0.23 115.31 127.38 1udd h LEU 98 Ca -0.38 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.48 1udd h LEU 98 Cb 1.21 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 41.02 1udd h LEU 98 CO 0.59 0.27 0.65 -0.08 -0.62 0.00 0.00 178.44 179.25 1udd h GLU 99 N 0.67 1.23 -0.53 1.25 4.57 -1.97 0.95 114.58 120.74 1udd h GLU 99 Ca 0.52 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.64 1udd h GLU 99 Cb 0.92 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 1udd h GLU 99 CO -0.28 0.81 0.34 -0.44 -1.18 0.00 0.00 179.01 178.26 1udd h ASP 100 N 1.26 0.57 -0.07 1.04 3.32 -0.96 0.12 116.42 121.70 1udd h ASP 100 Ca 0.39 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 1udd h ASP 100 Cb -0.03 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 1udd h ASP 100 CO -0.11 0.41 0.01 0.00 -1.72 0.00 0.00 179.24 177.83 1udd h ALA 101 N 1.22 0.09 -0.65 3.45 0.00 -0.48 -2.26 119.26 120.63 1udd h ALA 101 Ca 0.20 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1udd h ALA 101 Cb -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1udd h ALA 101 CO -0.07 -0.27 0.43 0.82 0.00 0.00 0.00 179.25 180.16 1udd h ILE 102 N -0.11 1.06 -0.01 0.00 2.04 0.12 -1.54 117.51 119.07 1udd h ILE 102 Ca 0.02 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1udd h ILE 102 Cb 0.26 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1udd h ILE 102 CO 0.00 0.13 -0.11 0.29 0.00 0.00 0.00 178.15 178.46 1udd n LYS 103 N -4.47 0.96 -2.30 2.37 5.02 0.38 -4.88 118.16 115.24 1udd n LYS 103 Ca 0.08 -0.42 -0.41 0.00 -2.02 0.00 0.00 58.31 55.54 1udd n LYS 103 Cb 0.17 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1udd n LYS 103 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1udd s THR 104 N -2.33 3.34 -0.30 -0.18 2.01 -0.58 -4.98 115.64 112.62 1udd s THR 104 Ca 0.32 1.16 -0.25 0.00 0.31 0.00 0.00 61.69 63.23 1udd s THR 104 Cb 0.20 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.98 1udd s THR 104 CO 0.45 0.20 0.87 -0.70 -0.69 0.00 0.00 174.62 174.74 1udd s GLU 105 N -0.47 4.01 0.40 4.92 2.56 -1.26 -5.02 118.70 123.83 1udd s GLU 105 Ca 0.53 0.74 -0.26 0.00 0.00 0.00 0.00 54.97 55.98 1udd s GLU 105 Cb -0.35 -3.72 -0.09 0.00 2.00 0.00 0.00 34.13 31.97 1udd s GLU 105 CO 0.39 -0.72 1.32 -2.14 -0.56 0.00 0.00 175.26 173.55 1udd s PRO 106 N 3.12 3.99 0.98 4.30 0.02 -1.26 -5.00 135.00 141.15 1udd s PRO 106 Ca 0.36 2.20 -0.12 0.00 0.02 0.00 0.00 61.00 63.45 1udd s PRO 106 Cb -0.14 -2.79 0.18 0.00 0.02 0.00 0.00 34.50 31.77 1udd s PRO 106 CO 0.13 -0.49 1.09 0.95 -0.33 0.00 0.00 177.00 178.35 1udd s THR 107 N -1.24 2.16 0.21 0.99 -4.23 -1.26 -4.78 115.64 107.49 1udd s THR 107 Ca 0.56 0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 61.02 1udd s THR 107 Cb -0.39 -2.55 0.15 0.00 1.34 0.00 0.00 72.50 71.05 1udd s THR 107 CO 0.50 -0.07 1.88 0.25 -0.54 0.00 0.00 174.62 176.64 1udd h LEU 108 N -1.84 0.84 -0.81 4.79 6.46 -1.96 -1.68 115.31 121.12 1udd h LEU 108 Ca -0.54 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.17 1udd h LEU 108 Cb 1.32 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 41.01 1udd h LEU 108 CO 0.57 0.61 0.38 0.58 -0.62 0.00 0.00 178.44 179.96 1udd h VAL 109 N 1.00 1.25 0.74 1.05 2.07 -1.96 0.17 116.25 120.56 1udd h VAL 109 Ca 0.27 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1udd h VAL 109 Cb -0.11 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1udd h VAL 109 CO -0.06 0.31 -0.36 -1.13 0.02 0.00 0.00 177.57 176.35 1udd h ASN 110 N 1.15 -0.84 -0.53 0.57 -0.73 -1.79 0.07 115.58 113.48 1udd h ASN 110 Ca 0.28 0.03 0.06 0.00 1.87 0.00 0.00 56.30 58.53 1udd h ASN 110 Cb 0.14 0.22 -0.05 0.00 0.27 0.00 0.00 38.32 38.89 1udd h ASN 110 CO -0.03 -0.60 0.24 0.28 -0.37 0.00 0.00 177.43 176.95 1udd h SER 111 N -1.00 0.32 -0.22 1.15 0.02 -1.17 -2.03 113.55 110.61 1udd h SER 111 Ca -0.10 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1udd h SER 111 Cb 0.76 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 1udd h SER 111 CO 0.17 0.22 0.03 0.00 -1.14 0.00 0.00 176.83 176.10 1udd h ALA 112 N 1.31 0.22 -0.26 3.77 0.00 -0.53 0.49 119.26 124.26 1udd h ALA 112 Ca 0.24 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1udd h ALA 112 Cb 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1udd h ALA 112 CO -0.20 -0.39 0.17 -0.92 0.00 0.00 0.00 179.25 177.91 1udd h TYR 113 N 0.11 0.32 -0.34 0.00 3.20 -0.59 0.45 116.97 120.14 1udd h TYR 113 Ca 0.10 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 1udd h TYR 113 Cb 0.11 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1udd h TYR 113 CO -0.16 0.21 -0.19 0.52 -1.64 0.00 0.00 178.16 176.90 1udd h MET 114 N 0.35 0.63 -0.18 1.82 2.86 -1.21 -1.63 114.93 117.56 1udd h MET 114 Ca 0.09 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.41 1udd h MET 114 Cb -0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1udd h MET 114 CO -0.02 0.78 -0.33 -0.44 1.06 0.00 0.00 176.91 177.96 1udd h ASP 115 N 0.56 0.37 -0.45 1.22 3.32 -0.49 -1.30 116.42 119.64 1udd h ASP 115 Ca 0.09 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1udd h ASP 115 Cb 0.63 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1udd h ASP 115 CO 0.04 0.68 0.06 0.15 -1.72 0.00 0.00 179.24 178.46 1udd h PHE 116 N 0.32 0.81 -0.09 4.55 3.57 -0.51 0.24 116.94 125.83 1udd h PHE 116 Ca 0.04 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 1udd h PHE 116 Cb 0.73 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1udd h PHE 116 CO 0.02 0.77 0.05 0.52 -2.23 0.00 0.00 178.31 177.43 1udd h MET 117 N 0.62 0.12 -0.15 1.11 2.86 -0.92 -0.54 114.93 118.03 1udd h MET 117 Ca 0.14 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1udd h MET 117 Cb 0.41 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1udd h MET 117 CO 0.01 0.17 0.06 1.25 1.06 0.00 0.00 176.91 179.47 1udd h LEU 118 N 0.04 0.21 -0.98 1.22 5.85 -1.15 -1.61 115.31 118.89 1udd h LEU 118 Ca 0.03 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1udd h LEU 118 Cb 0.09 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 1udd h LEU 118 CO -0.00 0.32 0.64 0.00 -0.34 0.00 0.00 178.44 179.06 1udd h ALA 119 N 0.90 1.29 -0.31 1.25 0.00 -0.46 0.89 119.26 122.82 1udd h ALA 119 Ca 0.05 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1udd h ALA 119 Cb 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1udd h ALA 119 CO -0.00 0.54 -0.42 1.15 0.00 0.00 0.00 179.25 180.52 1udd h THR 120 N 1.25 1.29 -0.54 0.00 2.02 -0.95 -1.73 112.91 114.24 1udd h THR 120 Ca 0.39 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.94 1udd h THR 120 Cb -0.02 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1udd h THR 120 CO -0.12 0.52 0.24 0.00 0.37 0.00 0.00 175.52 176.53 1udd h ALA 121 N 0.89 0.71 0.18 6.16 0.00 -0.64 -0.95 119.26 125.61 1udd h ALA 121 Ca 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1udd h ALA 121 Cb 0.98 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1udd h ALA 121 CO 0.09 0.30 -0.09 -0.92 0.00 0.00 0.00 179.25 178.63 1udd h TYR 122 N 0.74 -0.22 0.00 0.00 5.03 -0.60 -3.31 116.97 118.61 1udd h TYR 122 Ca 0.18 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 1udd h TYR 122 Cb 0.17 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1udd h TYR 122 CO 0.00 -0.01 -0.60 1.57 -1.32 0.00 0.00 178.16 177.81 1udd h LYS 123 N -0.40 0.00 -6.45 1.82 2.10 -1.34 -3.47 116.57 108.83 1udd h LYS 123 Ca -0.02 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 58.18 1udd h LYS 123 Cb 0.31 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1udd h LYS 123 CO 0.04 0.31 -0.26 0.20 -2.00 0.00 0.00 179.45 177.74 1udd s GLY 124 N -4.45 1.60 1.04 0.07 0.00 -0.36 -5.10 107.32 100.11 1udd s GLY 124 Ca 0.03 -1.34 -0.18 0.00 0.00 0.00 0.00 44.72 43.23 1udd s GLY 124 CO 0.74 -1.23 1.08 1.16 0.00 0.00 0.00 173.10 174.86 1udd n ASN 125 N -1.79 -1.21 -0.29 1.64 0.23 -1.26 -4.64 115.26 107.94 1udd n ASN 125 Ca 0.01 -1.24 0.06 0.00 -0.53 0.00 0.00 54.58 52.88 1udd n ASN 125 Cb 0.58 -0.93 0.21 0.00 -2.08 0.00 0.00 39.78 37.56 1udd n ASN 125 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1udd h ILE 126 N -2.28 0.76 -0.30 1.53 1.08 -1.92 -1.03 117.51 115.35 1udd h ILE 126 Ca -0.38 -0.22 -0.15 0.00 -0.39 0.00 0.00 64.86 63.71 1udd h ILE 126 Cb 1.13 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 1udd h ILE 126 CO 0.26 0.12 -0.43 0.40 -0.69 0.00 0.00 178.15 177.80 1udd h ILE 127 N 0.64 1.29 -0.30 -0.67 1.08 -1.97 -2.03 117.51 115.55 1udd h ILE 127 Ca 0.44 -1.62 -0.06 0.00 -0.39 0.00 0.00 64.86 63.24 1udd h ILE 127 Cb 0.59 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 1udd h ILE 127 CO -0.34 0.52 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.26 1udd h GLU 128 N 0.60 0.57 -0.15 2.37 5.08 -1.76 -0.50 114.58 120.79 1udd h GLU 128 Ca 0.04 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1udd h GLU 128 Cb 0.99 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1udd h GLU 128 CO 0.09 0.75 0.03 0.78 -1.00 0.00 0.00 179.01 179.66 1udd h GLY 129 N 0.34 0.16 1.38 -3.84 0.00 -1.16 -2.06 103.07 97.88 1udd h GLY 129 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1udd h GLY 129 CO 0.03 0.00 0.15 1.41 0.00 0.00 0.00 176.54 178.13 1udd h LEU 130 N 0.09 0.73 -1.36 3.11 3.38 -1.29 -2.33 115.31 117.64 1udd h LEU 130 Ca 0.06 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1udd h LEU 130 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1udd h LEU 130 CO -0.09 0.71 -0.07 0.74 0.09 0.00 0.00 178.44 179.82 1udd h THR 131 N 0.77 1.18 0.00 0.22 2.02 -0.68 -0.83 112.91 115.59 1udd h THR 131 Ca 0.17 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1udd h THR 131 Cb 0.25 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1udd h THR 131 CO -0.01 0.24 -0.01 0.00 0.37 0.00 0.00 175.52 176.11 1udd h ALA 132 N 1.61 1.02 0.00 6.16 0.00 -0.81 -2.47 119.26 124.77 1udd h ALA 132 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1udd h ALA 132 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1udd h ALA 132 CO 0.02 0.02 -1.13 1.28 0.00 0.00 0.00 179.25 179.44 1udd n LEU 133 N -3.13 0.81 -0.18 0.00 4.77 -0.41 -4.55 117.00 114.31 1udd n LEU 133 Ca -0.01 -0.42 -0.09 0.00 -0.03 0.00 0.00 56.01 55.47 1udd n LEU 133 Cb 0.22 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1udd n LEU 133 CO 0.25 0.20 0.92 0.25 -1.33 0.00 0.00 177.39 177.68 1udd h LEU 134 N 0.00 0.75 -0.77 2.23 5.85 -0.81 -2.45 115.31 120.09 1udd h LEU 134 Ca 0.00 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.64 1udd h LEU 134 Cb 0.56 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 1udd h LEU 134 CO 0.00 0.75 0.37 -0.65 -0.34 0.00 0.00 178.44 178.58 1udd h PRO 135 N 0.70 0.55 0.06 5.25 0.11 -1.80 0.13 132.00 136.99 1udd h PRO 135 Ca 0.16 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 1udd h PRO 135 Cb 0.28 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 1udd h PRO 135 CO -0.00 0.37 -0.06 0.00 -0.21 0.00 0.00 178.00 178.09 1udd h PHE 137 N -0.12 -0.31 -0.19 0.00 -1.00 -1.11 -2.83 116.94 111.37 1udd h PHE 137 Ca -0.01 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.72 1udd h PHE 137 Cb 0.11 0.16 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 1udd h PHE 137 CO -0.12 -0.19 -0.16 2.35 -1.61 0.00 0.00 178.31 178.58 1udd h TRP 138 N -0.13 0.53 -0.54 -0.55 7.01 -0.82 -3.20 115.95 118.25 1udd h TRP 138 Ca 0.10 -0.15 -0.03 0.00 2.11 0.00 0.00 58.89 60.92 1udd h TRP 138 Cb 0.28 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 1udd h TRP 138 CO -0.26 0.79 0.21 0.66 -2.79 0.00 0.00 178.44 177.05 1udd h SER 139 N 0.11 0.71 -0.18 2.65 4.64 -0.92 -0.70 113.55 119.86 1udd h SER 139 Ca 0.03 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1udd h SER 139 Cb 0.69 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1udd h SER 139 CO 0.04 0.64 0.07 1.88 -0.87 0.00 0.00 176.83 178.59 1udd h TYR 140 N 0.77 0.34 0.02 4.77 -1.99 -1.52 0.52 116.97 119.88 1udd h TYR 140 Ca 0.18 -0.01 -0.24 0.00 2.00 0.00 0.00 58.73 60.67 1udd h TYR 140 Cb 0.16 -0.11 0.02 0.00 2.00 0.00 0.00 36.73 38.81 1udd h TYR 140 CO 0.01 0.30 -0.94 0.00 -0.00 0.00 0.00 178.16 177.54 1udd h ALA 141 N 1.73 0.09 -0.53 3.88 0.00 -1.33 -3.14 119.26 119.96 1udd h ALA 141 Ca 0.09 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 1udd h ALA 141 Cb 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1udd h ALA 141 CO -0.00 0.58 0.03 0.93 0.00 0.00 0.00 179.25 180.78 1udd h GLU 142 N 0.21 0.89 -0.24 0.00 4.39 -0.71 -1.97 114.58 117.16 1udd h GLU 142 Ca -0.12 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.33 1udd h GLU 142 Cb 1.61 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.15 1udd h GLU 142 CO 0.18 0.87 0.12 0.82 -1.16 0.00 0.00 179.01 179.84 1udd h ILE 143 N 0.83 1.13 -0.60 3.13 2.04 -0.99 -0.18 117.51 122.86 1udd h ILE 143 Ca 0.16 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 1udd h ILE 143 Cb 0.45 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1udd h ILE 143 CO 0.02 0.13 0.04 0.00 0.00 0.00 0.00 178.15 178.34 1udd h ALA 144 N 0.99 0.93 -0.49 1.87 0.00 -1.47 -0.82 119.26 120.27 1udd h ALA 144 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1udd h ALA 144 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1udd h ALA 144 CO -0.01 0.65 0.23 1.49 0.00 0.00 0.00 179.25 181.61 1udd h GLU 145 N 0.95 0.70 -0.62 0.00 4.57 -1.20 0.40 114.58 119.38 1udd h GLU 145 Ca 0.18 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1udd h GLU 145 Cb 0.49 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1udd h GLU 145 CO 0.02 0.59 0.41 -0.92 -1.18 0.00 0.00 179.01 177.93 1udd h TYR 146 N 0.64 0.77 -0.57 0.92 3.20 -0.79 -2.87 116.97 118.27 1udd h TYR 146 Ca 0.17 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1udd h TYR 146 Cb 0.12 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.13 1udd h TYR 146 CO -0.01 0.47 0.00 0.72 -1.64 0.00 0.00 178.16 177.70 1udd n HIS 147 N -4.67 1.32 -0.34 -3.82 8.25 -0.34 -4.68 115.22 110.94 1udd n HIS 147 Ca 0.05 -0.63 0.22 0.00 -0.26 0.00 0.00 57.72 57.09 1udd n HIS 147 Cb 0.03 -0.23 0.46 0.00 1.12 0.00 0.00 29.99 31.37 1udd n HIS 147 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1udd h LYS 148 N 3.58 0.43 -0.72 -0.41 2.10 0.04 -1.05 116.57 120.53 1udd h LYS 148 Ca 0.00 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 1udd h LYS 148 Cb 1.38 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 32.58 1udd h LYS 148 CO 0.21 0.28 0.23 -0.44 -2.00 0.00 0.00 179.45 177.73 1udd h ASP 149 N 0.44 1.04 0.38 7.07 3.32 -1.84 -2.79 116.42 124.04 1udd h ASP 149 Ca 0.66 -0.19 -0.13 0.00 0.02 0.00 0.00 57.03 57.39 1udd h ASP 149 Cb 1.50 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1udd h ASP 149 CO -0.44 0.97 -0.53 0.11 -1.72 0.00 0.00 179.24 177.62 1udd h LYS 150 N 1.07 0.17 -0.66 3.56 1.57 -1.48 -3.22 116.57 117.58 1udd h LYS 150 Ca 0.24 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1udd h LYS 150 Cb 0.29 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1udd h LYS 150 CO -0.01 0.66 0.40 1.25 -0.57 0.00 0.00 179.45 181.19 1udd h LEU 151 N 0.13 0.64 -1.56 2.94 6.46 -1.21 0.12 115.31 122.84 1udd h LEU 151 Ca 0.00 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.72 1udd h LEU 151 Cb 0.99 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.78 1udd h LEU 151 CO 0.08 0.44 -0.23 0.03 -0.62 0.00 0.00 178.44 178.14 1udd h ARG 152 N 0.77 0.00 -0.02 1.25 3.08 -1.56 -1.96 114.38 115.94 1udd h ARG 152 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1udd h ARG 152 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1udd h ARG 152 CO -0.12 0.23 -0.07 -0.25 -1.07 0.00 0.00 179.97 178.70 1udd n ASP 153 N -4.04 1.88 -4.67 7.04 8.00 -0.59 -4.91 116.55 119.26 1udd n ASP 153 Ca -0.02 -1.55 -0.42 0.00 0.71 0.00 0.00 54.79 53.50 1udd n ASP 153 Cb 0.31 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 1udd n ASP 153 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1udd s ASN 154 N -2.10 6.75 0.45 -2.24 3.84 0.30 -4.92 114.94 117.02 1udd s ASN 154 Ca 0.32 2.13 0.23 0.00 0.21 0.00 0.00 52.86 55.76 1udd s ASN 154 Cb 0.20 -2.54 1.03 0.00 -0.55 0.00 0.00 41.25 39.39 1udd s ASN 154 CO 0.37 -0.86 1.89 -0.65 -2.79 0.00 0.00 177.10 175.06 1udd h PRO 155 N 8.90 0.00 -5.67 0.43 0.11 -1.89 -3.43 132.00 130.46 1udd h PRO 155 Ca -0.37 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.11 1udd h PRO 155 Cb 1.17 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.14 1udd h PRO 155 CO 0.95 0.23 0.42 0.42 -0.21 0.00 0.00 178.00 179.80 1udd s ILE 156 N -3.85 4.54 0.29 4.15 -1.09 -1.26 -4.94 121.20 119.04 1udd s ILE 156 Ca -0.01 0.16 0.03 0.00 -2.23 0.00 0.00 60.65 58.61 1udd s ILE 156 Cb 0.12 -4.44 0.28 0.00 -1.58 0.00 0.00 42.46 36.83 1udd s ILE 156 CO 0.64 -0.96 1.77 0.50 -1.23 0.00 0.00 174.94 175.65 1udd h LYS 157 N 9.17 0.67 -0.50 2.79 3.64 -2.00 -0.33 116.57 130.00 1udd h LYS 157 Ca -0.26 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1udd h LYS 157 Cb 1.08 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1udd h LYS 157 CO 1.03 0.44 0.24 0.82 -2.27 0.00 0.00 179.45 179.71 1udd h ILE 158 N 0.69 1.17 -0.11 2.00 2.04 -1.98 -1.47 117.51 119.85 1udd h ILE 158 Ca 0.53 -0.49 -0.22 0.00 1.00 0.00 0.00 64.86 65.69 1udd h ILE 158 Cb 0.81 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1udd h ILE 158 CO -0.39 0.20 -0.80 1.88 0.00 0.00 0.00 178.15 179.05 1udd h TYR 159 N 0.71 1.01 -0.64 1.37 0.05 -1.44 -1.89 116.97 116.13 1udd h TYR 159 Ca 0.18 -0.47 -0.00 0.00 0.05 0.00 0.00 58.73 58.48 1udd h TYR 159 Cb 0.08 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 1udd h TYR 159 CO 0.01 1.30 0.39 0.00 -1.05 0.00 0.00 178.16 178.81 1udd h ARG 160 N 0.43 0.87 -0.29 4.88 3.08 -1.07 0.14 114.38 122.43 1udd h ARG 160 Ca -0.07 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1udd h ARG 160 Cb 1.44 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 1udd h ARG 160 CO 0.16 0.62 0.10 0.93 -1.07 0.00 0.00 179.97 180.71 1udd h GLU 161 N 0.87 0.44 -0.05 0.04 5.08 -1.29 -0.67 114.58 119.00 1udd h GLU 161 Ca 0.23 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1udd h GLU 161 Cb -0.03 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1udd h GLU 161 CO -0.04 0.48 -0.10 2.35 -1.00 0.00 0.00 179.01 180.70 1udd h TRP 162 N 0.31 -0.24 -0.02 4.33 7.01 -0.85 -3.02 115.95 123.46 1udd h TRP 162 Ca 0.09 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.99 1udd h TRP 162 Cb 0.22 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 1udd h TRP 162 CO 0.00 -0.15 -0.51 0.78 -2.79 0.00 0.00 178.44 175.78 1udd h GLY 163 N -0.15 0.06 1.75 2.65 0.00 -0.65 -3.17 103.07 103.56 1udd h GLY 163 Ca 0.05 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.35 1udd h GLY 163 CO -0.13 0.05 0.09 0.50 0.00 0.00 0.00 176.54 177.06 1udd h LYS 164 N 0.04 0.00 -0.59 4.80 1.57 -0.98 -2.61 116.57 118.80 1udd h LYS 164 Ca -0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1udd h LYS 164 Cb 0.91 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.16 1udd h LYS 164 CO 0.07 0.00 0.25 0.28 -0.57 0.00 0.00 179.45 179.48 1udd h VAL 165 N 0.00 0.84 0.00 0.50 2.07 -1.61 -1.87 116.25 116.19 1udd h VAL 165 Ca 0.05 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1udd h VAL 165 Cb 0.24 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1udd h VAL 165 CO -0.00 0.08 0.00 -1.22 0.02 0.00 0.00 177.57 176.45 1udd n TYR 166 N -4.94 0.03 0.84 1.57 4.02 -0.98 -2.29 117.16 115.40 1udd n TYR 166 Ca 0.07 0.01 0.11 0.00 -0.01 0.00 0.00 57.90 58.08 1udd n TYR 166 Cb 0.22 -0.52 -0.03 0.00 -0.02 0.00 0.00 39.34 39.00 1udd n TYR 166 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1udd n LEU 167 N -1.52 0.75 -4.77 7.72 4.77 -0.73 -4.63 117.00 118.59 1udd n LEU 167 Ca 0.05 -0.28 -0.35 0.00 -0.03 0.00 0.00 56.01 55.40 1udd n LEU 167 Cb 0.24 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1udd n LEU 167 CO 0.19 0.17 0.78 -0.94 -1.33 0.00 0.00 177.39 176.26 1udd s SER 168 N -3.29 5.61 0.46 -1.43 1.04 -0.97 -4.87 113.70 110.25 1udd s SER 168 Ca 0.06 2.17 0.12 0.00 0.48 0.00 0.00 55.95 58.78 1udd s SER 168 Cb 0.16 -2.58 1.05 0.00 0.10 0.00 0.00 66.02 64.75 1udd s SER 168 CO 0.83 -1.29 2.08 0.78 0.98 0.00 0.00 173.24 176.61 1udd h ASN 169 N 1.03 0.18 -0.22 7.02 2.35 -1.94 -1.00 115.58 123.01 1udd h ASN 169 Ca -0.50 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.20 1udd h ASN 169 Cb 1.26 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 1udd h ASN 169 CO 0.56 0.17 -0.02 -0.33 -1.65 0.00 0.00 177.43 176.17 1udd h GLU 170 N 0.21 0.40 -0.21 0.81 3.07 -1.92 0.14 114.58 117.07 1udd h GLU 170 Ca 0.05 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1udd h GLU 170 Cb 0.06 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1udd h GLU 170 CO -0.01 0.61 0.05 -0.92 -1.40 0.00 0.00 179.01 177.34 1udd h TYR 171 N 0.15 0.36 -0.87 4.33 3.20 -1.69 -1.95 116.97 120.50 1udd h TYR 171 Ca 0.06 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1udd h TYR 171 Cb 0.44 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 1udd h TYR 171 CO 0.04 0.46 0.56 -0.07 -1.64 0.00 0.00 178.16 177.50 1udd h LEU 172 N 0.16 1.02 -1.03 2.82 3.38 -1.13 -1.63 115.31 118.90 1udd h LEU 172 Ca 0.07 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1udd h LEU 172 Cb 0.28 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1udd h LEU 172 CO 0.00 0.76 -0.00 0.78 0.09 0.00 0.00 178.44 180.07 1udd h ASN 173 N 1.19 0.65 -0.67 -0.43 -0.26 -0.49 -1.00 115.58 114.58 1udd h ASN 173 Ca 0.32 -0.15 -0.05 0.00 -0.56 0.00 0.00 56.30 55.87 1udd h ASN 173 Cb -0.10 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 36.96 1udd h ASN 173 CO -0.06 0.73 0.24 0.25 -1.06 0.00 0.00 177.43 177.52 1udd h LEU 174 N 0.65 0.94 -0.55 1.61 5.85 -0.53 -0.11 115.31 123.18 1udd h LEU 174 Ca 0.13 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1udd h LEU 174 Cb 0.41 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1udd h LEU 174 CO 0.02 0.88 0.12 0.58 -0.34 0.00 0.00 178.44 179.70 1udd h VAL 175 N 0.95 1.25 -0.42 1.05 2.07 -1.02 -1.80 116.25 118.33 1udd h VAL 175 Ca 0.22 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.89 1udd h VAL 175 Cb 0.25 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 1udd h VAL 175 CO -0.01 0.33 0.15 1.23 0.02 0.00 0.00 177.57 179.28 1udd h GLY 176 N 0.79 0.54 0.97 2.17 0.00 -0.64 0.67 103.07 107.56 1udd h GLY 176 Ca 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1udd h GLY 176 CO 0.00 0.02 0.04 3.21 0.00 0.00 0.00 176.54 179.82 1udd h ARG 177 N 0.31 0.10 -0.44 4.80 3.08 -0.78 0.12 114.38 121.57 1udd h ARG 177 Ca 0.20 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.26 1udd h ARG 177 Cb 0.18 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1udd h ARG 177 CO -0.20 0.10 0.25 -0.07 -1.07 0.00 0.00 179.97 178.97 1udd h LEU 178 N 0.07 0.39 -0.41 3.04 3.38 -0.91 -0.60 115.31 120.26 1udd h LEU 178 Ca 0.03 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1udd h LEU 178 Cb 0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1udd h LEU 178 CO -0.01 0.28 0.26 0.03 0.09 0.00 0.00 178.44 179.10 1udd h ARG 179 N 0.50 0.52 -0.23 1.13 3.08 -0.65 -2.47 114.38 116.25 1udd h ARG 179 Ca 0.18 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.23 1udd h ARG 179 Cb 0.04 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1udd h ARG 179 CO -0.10 0.35 0.05 -0.22 -1.07 0.00 0.00 179.97 178.98 1udd h LYS 180 N 0.54 0.14 -0.46 0.04 3.64 -0.03 0.32 116.57 120.76 1udd h LYS 180 Ca 0.16 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.61 1udd h LYS 180 Cb -0.04 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 1udd h LYS 180 CO -0.05 0.10 0.08 0.82 -2.27 0.00 0.00 179.45 178.13 1udd h ILE 181 N 0.15 0.73 -0.27 2.00 2.04 -0.94 -0.37 117.51 120.84 1udd h ILE 181 Ca 0.10 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 1udd h ILE 181 Cb 0.09 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1udd h ILE 181 CO -0.13 0.04 -0.08 0.40 0.00 0.00 0.00 178.15 178.38 1udd h ILE 182 N 0.21 1.29 0.00 -0.67 2.04 -0.98 -3.15 117.51 116.25 1udd h ILE 182 Ca 0.23 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1udd h ILE 182 Cb 0.31 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1udd h ILE 182 CO -0.31 0.35 0.00 0.44 0.00 0.00 0.00 178.15 178.63 1udd h ASP 183 N 0.28 0.00 -0.37 1.72 3.32 0.05 -2.67 116.42 118.76 1udd h ASP 183 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1udd h ASP 183 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1udd h ASP 183 CO 0.03 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.35 1udd n SER 184 N -2.71 2.02 -4.87 6.45 7.64 -0.19 -4.79 113.62 117.17 1udd n SER 184 Ca 0.01 -1.98 -0.21 0.00 1.01 0.00 0.00 58.87 57.70 1udd n SER 184 Cb 0.27 -0.24 0.07 0.00 -1.01 0.00 0.00 64.21 63.30 1udd n SER 184 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1udd s SER 185 N -1.05 4.92 1.02 6.43 1.04 -1.01 -5.08 113.70 119.97 1udd s SER 185 Ca 0.26 -0.37 -0.13 0.00 0.48 0.00 0.00 55.95 56.19 1udd s SER 185 Cb 0.14 -0.27 0.20 0.00 0.10 0.00 0.00 66.02 66.19 1udd s SER 185 CO 0.18 -1.42 0.45 0.61 0.98 0.00 0.00 173.24 174.04 1udd n GLY 186 N -2.46 -2.15 0.00 7.32 0.00 -1.26 -4.95 105.19 101.69 1udd n GLY 186 Ca 0.12 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.52 1udd n GLY 186 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1udd n HIS 187 N -4.46 0.00 -1.89 1.61 -0.00 -1.26 -5.00 115.22 104.22 1udd n HIS 187 Ca 0.07 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.95 1udd n HIS 187 Cb 0.31 -0.11 0.03 0.00 -0.12 0.00 0.00 29.99 30.11 1udd n HIS 187 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1udd s SER 188 N -2.82 5.81 -1.05 0.26 1.04 -1.26 -4.04 113.70 111.64 1udd s SER 188 Ca 0.02 1.26 0.00 0.00 0.48 0.00 0.00 55.95 57.71 1udd s SER 188 Cb 0.11 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 64.05 1udd s SER 188 CO 0.62 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1udd n GLY 189 N -2.88 1.10 0.37 7.32 0.00 -1.26 -4.89 105.19 104.94 1udd n GLY 189 Ca 0.06 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.81 1udd n GLY 189 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1udd h TYR 190 N 0.00 1.15 -0.94 1.61 3.20 -1.95 -2.21 116.97 117.84 1udd h TYR 190 Ca -0.20 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.79 1udd h TYR 190 Cb 0.80 -0.38 -0.07 0.00 1.54 0.00 0.00 36.73 38.62 1udd h TYR 190 CO 0.38 0.58 0.58 -0.44 -1.64 0.00 0.00 178.16 177.61 1udd h ASP 191 N 1.11 0.88 -0.47 -2.11 3.32 -1.93 0.28 116.42 117.50 1udd h ASP 191 Ca 0.43 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.47 1udd h ASP 191 Cb 0.23 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1udd h ASP 191 CO -0.18 0.51 0.08 -0.09 -1.72 0.00 0.00 179.24 177.84 1udd h ARG 192 N 0.99 0.77 -0.67 3.56 1.12 -1.81 -2.03 114.38 116.30 1udd h ARG 192 Ca 0.44 -0.20 0.00 0.00 -1.11 0.00 0.00 59.98 59.11 1udd h ARG 192 Cb 0.34 -0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 30.17 1udd h ARG 192 CO -0.23 0.78 0.43 -0.07 -3.11 0.00 0.00 179.97 177.77 1udd h LEU 193 N 0.64 0.78 -0.32 3.80 4.07 -0.90 -1.44 115.31 121.93 1udd h LEU 193 Ca 0.14 -0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.09 1udd h LEU 193 Cb 0.38 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 1udd h LEU 193 CO 0.01 0.58 0.18 -0.09 -1.08 0.00 0.00 178.44 178.03 1udd h ARG 194 N 0.91 0.36 -0.48 1.13 2.43 -0.24 -0.28 114.38 118.21 1udd h ARG 194 Ca 0.24 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.32 1udd h ARG 194 Cb -0.08 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1udd h ARG 194 CO -0.05 0.24 -0.01 0.00 -1.51 0.00 0.00 179.97 178.64 1udd h ARG 195 N 0.37 0.80 -0.44 0.20 3.08 -1.10 -1.21 114.38 116.08 1udd h ARG 195 Ca 0.13 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1udd h ARG 195 Cb 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1udd h ARG 195 CO -0.07 0.81 0.09 0.82 -1.07 0.00 0.00 179.97 180.55 1udd h ILE 196 N 0.74 1.24 -0.24 2.04 2.04 -0.80 -1.85 117.51 120.68 1udd h ILE 196 Ca 0.14 -0.85 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 1udd h ILE 196 Cb 0.46 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1udd h ILE 196 CO 0.02 0.30 -0.02 0.15 0.00 0.00 0.00 178.15 178.60 1udd h PHE 197 N 0.58 0.48 -0.22 1.37 3.57 -0.90 -1.43 116.94 120.40 1udd h PHE 197 Ca 0.14 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1udd h PHE 197 Cb 0.35 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1udd h PHE 197 CO 0.02 0.62 0.03 0.82 -2.23 0.00 0.00 178.31 177.57 1udd h ILE 198 N 0.20 0.88 -0.44 1.41 2.04 -1.20 0.13 117.51 120.53 1udd h ILE 198 Ca 0.07 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1udd h ILE 198 Cb 0.44 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1udd h ILE 198 CO 0.02 0.02 0.22 0.74 0.00 0.00 0.00 178.15 179.15 1udd h THR 199 N 0.10 0.97 -0.60 -0.27 2.02 -1.24 0.23 112.91 114.13 1udd h THR 199 Ca 0.10 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1udd h THR 199 Cb 0.11 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1udd h THR 199 CO -0.15 0.08 0.23 1.23 0.37 0.00 0.00 175.52 177.29 1udd h GLY 200 N 0.44 0.94 1.45 2.16 0.00 -0.82 -1.29 103.07 105.95 1udd h GLY 200 Ca 0.19 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 1udd h GLY 200 CO -0.13 0.46 -0.34 1.76 0.00 0.00 0.00 176.54 178.29 1udd h SER 201 N 0.86 0.64 -0.29 0.19 0.02 0.16 -2.03 113.55 113.11 1udd h SER 201 Ca 0.20 -0.26 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 1udd h SER 201 Cb 0.18 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1udd h SER 201 CO -0.02 0.93 -0.20 0.11 -1.14 0.00 0.00 176.83 176.52 1udd h LYS 202 N 0.52 0.76 -0.54 3.45 1.57 -0.56 -2.19 116.57 119.57 1udd h LYS 202 Ca 0.06 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1udd h LYS 202 Cb 0.84 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1udd h LYS 202 CO 0.07 0.90 0.25 0.74 -0.57 0.00 0.00 179.45 180.83 1udd h PHE 203 N 0.67 0.80 -0.34 -1.35 0.04 -0.99 -0.70 116.94 115.07 1udd h PHE 203 Ca 0.10 -0.05 0.05 0.00 2.80 0.00 0.00 57.97 60.87 1udd h PHE 203 Cb 0.70 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.56 1udd h PHE 203 CO 0.04 0.63 0.06 0.93 -0.60 0.00 0.00 178.31 179.37 1udd h GLU 204 N 0.73 0.18 -0.79 1.51 4.39 -0.99 0.48 114.58 120.08 1udd h GLU 204 Ca 0.18 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.90 1udd h GLU 204 Cb 0.15 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 1udd h GLU 204 CO -0.02 0.12 0.51 1.25 -1.16 0.00 0.00 179.01 179.70 1udd h LEU 205 N 0.18 0.84 -0.81 1.33 5.85 -1.14 -1.67 115.31 119.89 1udd h LEU 205 Ca 0.16 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1udd h LEU 205 Cb 0.18 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1udd h LEU 205 CO -0.21 0.58 -0.18 0.00 -0.34 0.00 0.00 178.44 178.29 1udd h ALA 206 N 1.33 0.99 -0.21 1.25 0.00 -0.23 -1.76 119.26 120.62 1udd h ALA 206 Ca 0.31 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1udd h ALA 206 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1udd h ALA 206 CO -0.11 0.60 0.08 0.35 0.00 0.00 0.00 179.25 180.16 1udd h PHE 207 N 0.63 0.34 -1.00 0.00 3.57 0.54 0.25 116.94 121.27 1udd h PHE 207 Ca 0.10 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1udd h PHE 207 Cb 0.65 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 1udd h PHE 207 CO 0.03 0.39 0.65 -1.49 -2.23 0.00 0.00 178.31 175.67 1udd h TRP 208 N 0.18 1.26 -0.27 0.41 -0.00 -1.21 -0.58 115.95 115.73 1udd h TRP 208 Ca 0.07 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.96 1udd h TRP 208 Cb 0.21 -0.42 -0.01 0.00 -0.00 0.00 0.00 29.16 28.93 1udd h TRP 208 CO -0.00 0.80 0.07 1.49 -0.00 0.00 0.00 178.44 180.80 1udd h GLU 209 N 1.35 0.43 -0.03 0.49 4.57 -0.92 -1.80 114.58 118.68 1udd h GLU 209 Ca 0.36 -0.10 -0.09 0.00 -1.18 0.00 0.00 59.36 58.35 1udd h GLU 209 Cb -0.15 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 1udd h GLU 209 CO -0.08 0.52 -0.41 0.00 -1.18 0.00 0.00 179.01 177.86 1udd h MET 210 N 0.27 0.06 -0.70 1.92 -0.00 -0.59 -0.60 114.93 115.29 1udd h MET 210 Ca 0.09 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.70 59.70 1udd h MET 210 Cb 0.27 -0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.84 1udd h MET 210 CO 0.00 0.46 0.20 0.00 -0.00 0.00 0.00 176.91 177.57 1udd h ALA 211 N 1.54 0.92 -0.38 -3.00 0.00 -0.91 0.33 119.26 117.76 1udd h ALA 211 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1udd h ALA 211 Cb 0.75 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1udd h ALA 211 CO 0.06 0.61 -0.13 2.35 0.00 0.00 0.00 179.25 182.14 1udd h TRP 212 N 1.03 0.85 0.00 0.00 2.91 -0.80 -2.91 115.95 117.04 1udd h TRP 212 Ca 0.22 -0.20 0.00 0.00 1.13 0.00 0.00 58.89 60.05 1udd h TRP 212 Cb 0.33 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.77 1udd h TRP 212 CO 0.03 0.91 0.00 0.00 -1.03 0.00 0.00 178.44 178.35 1udd h ARG 213 N 0.55 0.00 -1.61 2.65 3.08 -0.91 -3.47 114.38 114.68 1udd h ARG 213 Ca 0.09 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.92 1udd h ARG 213 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1udd h ARG 213 CO 0.04 0.00 -0.28 0.41 -1.07 0.00 0.00 179.97 179.07 1udd n GLY 214 N 0.52 -0.07 0.00 0.04 0.00 0.04 -5.08 105.19 100.64 1udd n GLY 214 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1udd n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93