#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bou s ARG 3 N 0.00 0.41 -0.79 0.00 6.06 -0.96 -4.03 118.95 119.64 1bou s ARG 3 Ca 0.00 0.90 -0.17 0.00 -2.50 0.00 0.00 55.73 53.96 1bou s ARG 3 Cb 0.00 0.09 0.15 0.00 0.06 0.00 0.00 34.95 35.25 1bou s ARG 3 CO 0.00 -0.18 0.89 0.08 -2.50 0.00 0.00 175.30 173.59 1bou s VAL 4 N 1.72 5.02 0.14 7.11 1.01 -1.26 0.01 120.40 134.15 1bou s VAL 4 Ca -0.08 -1.65 0.02 0.00 0.00 0.00 0.00 61.98 60.27 1bou s VAL 4 Cb -0.09 -4.60 -0.19 0.00 0.00 0.00 0.00 36.38 31.51 1bou s VAL 4 CO -0.14 -1.25 1.31 0.71 0.00 0.00 0.00 175.10 175.74 1bou h THR 5 N 5.54 1.54 -3.19 3.92 1.35 -1.65 -3.47 112.91 116.95 1bou h THR 5 Ca -0.00 -2.88 -0.09 0.00 -0.55 0.00 0.00 66.41 62.89 1bou h THR 5 Cb 1.05 2.65 -0.17 0.00 -1.73 0.00 0.00 68.15 69.95 1bou h THR 5 CO 1.00 0.84 -0.19 0.28 -0.25 0.00 0.00 175.52 177.20 1bou s THR 6 N -2.99 0.07 -0.08 6.82 -1.32 -1.25 -4.26 115.64 112.63 1bou s THR 6 Ca -0.02 -0.59 0.04 0.00 -1.21 0.00 0.00 61.69 59.92 1bou s THR 6 Cb 0.09 -0.94 -0.01 0.00 -1.51 0.00 0.00 72.50 70.13 1bou s THR 6 CO 0.84 -0.32 -0.23 -0.83 -2.21 0.00 0.00 174.62 171.87 1bou s GLY 7 N -2.05 1.35 -0.00 6.08 0.00 0.18 -2.48 107.32 110.40 1bou s GLY 7 Ca -0.05 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 43.71 1bou s GLY 7 CO -0.03 -0.49 -0.12 -0.42 0.00 0.00 0.00 173.10 172.04 1bou s ILE 8 N 0.04 0.97 0.17 0.90 1.01 -0.80 0.60 121.20 124.09 1bou s ILE 8 Ca -0.09 -0.56 0.10 0.00 0.00 0.00 0.00 60.65 60.10 1bou s ILE 8 Cb -0.15 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1bou s ILE 8 CO 0.06 0.24 -0.20 0.42 0.00 0.00 0.00 174.94 175.46 1bou s THR 9 N -0.34 2.60 -0.03 2.92 -4.23 -0.73 -0.62 115.64 115.20 1bou s THR 9 Ca 0.04 -1.83 -0.29 0.00 -1.18 0.00 0.00 61.69 58.43 1bou s THR 9 Cb -0.05 -2.24 0.10 0.00 1.34 0.00 0.00 72.50 71.66 1bou s THR 9 CO -0.00 -0.05 0.86 -0.55 -0.54 0.00 0.00 174.62 174.34 1bou s SER 10 N -2.54 -0.42 0.69 3.99 0.15 -0.96 -2.07 113.70 112.54 1bou s SER 10 Ca 0.20 0.18 -0.11 0.00 0.70 0.00 0.00 55.95 56.92 1bou s SER 10 Cb -0.09 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1bou s SER 10 CO 0.10 -0.59 1.07 -0.55 1.20 0.00 0.00 173.24 174.48 1bou s SER 11 N -2.03 5.52 0.00 5.45 0.15 -1.19 -1.09 113.70 120.51 1bou s SER 11 Ca 0.01 1.35 0.06 0.00 0.70 0.00 0.00 55.95 58.08 1bou s SER 11 Cb -0.01 -2.23 0.11 0.00 -1.71 0.00 0.00 66.02 62.18 1bou s SER 11 CO -0.05 -1.32 0.97 0.00 1.20 0.00 0.00 173.24 174.05 1bou n HIS 12 N -3.02 0.00 -1.74 3.44 1.44 -1.26 -4.41 115.22 109.66 1bou n HIS 12 Ca 0.07 -0.16 -0.39 0.00 -2.01 0.00 0.00 57.72 55.23 1bou n HIS 12 Cb 0.55 -0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.70 1bou n HIS 12 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1bou n ILE 13 N 0.12 3.64 -0.12 0.61 -5.35 -1.26 -4.28 119.36 112.73 1bou n ILE 13 Ca -0.00 -0.50 0.02 0.00 -0.27 0.00 0.00 62.75 62.00 1bou n ILE 13 Cb 0.78 -1.67 0.33 0.00 -1.74 0.00 0.00 39.64 37.34 1bou n ILE 13 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1bou h PRO 14 N 1.55 0.78 -0.40 6.28 0.11 -2.00 -2.92 132.00 135.40 1bou h PRO 14 Ca -0.51 -0.05 0.12 0.00 0.11 0.00 0.00 66.00 65.67 1bou h PRO 14 Cb 1.30 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1bou h PRO 14 CO 0.57 0.51 0.45 0.00 -0.21 0.00 0.00 178.00 179.33 1bou h ALA 15 N 1.63 2.10 -0.00 -0.75 0.00 -1.97 -0.68 119.26 119.58 1bou h ALA 15 Ca 0.22 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 1bou h ALA 15 Cb -0.07 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1bou h ALA 15 CO -0.05 -0.65 -0.98 -0.07 0.00 0.00 0.00 179.25 177.50 1bou h LEU 16 N 0.00 0.69 -0.96 0.00 3.38 -1.89 -2.18 115.31 114.35 1bou h LEU 16 Ca 0.19 -0.55 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 1bou h LEU 16 Cb 1.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1bou h LEU 16 CO -0.00 1.35 -0.38 1.23 0.09 0.00 0.00 178.44 180.73 1bou h GLY 17 N 0.90 0.29 1.38 0.83 0.00 -1.30 -2.79 103.07 102.37 1bou h GLY 17 Ca -0.10 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 46.79 1bou h GLY 17 CO 0.18 0.24 -0.59 0.00 0.00 0.00 0.00 176.54 176.37 1bou h ALA 18 N 1.38 0.59 -0.57 3.60 0.00 -1.40 -0.68 119.26 122.18 1bou h ALA 18 Ca 0.02 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.41 1bou h ALA 18 Cb 0.78 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1bou h ALA 18 CO 0.06 0.70 0.37 0.00 0.00 0.00 0.00 179.25 180.38 1bou h ALA 19 N 0.85 0.73 0.31 0.00 0.00 -1.21 -0.13 119.26 119.81 1bou h ALA 19 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1bou h ALA 19 Cb 1.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1bou h ALA 19 CO 0.12 0.15 -0.15 0.82 0.00 0.00 0.00 179.25 180.18 1bou h ILE 20 N 0.76 0.72 -0.55 0.00 2.04 -1.37 0.63 117.51 119.74 1bou h ILE 20 Ca 0.21 -0.30 0.11 0.00 1.00 0.00 0.00 64.86 65.89 1bou h ILE 20 Cb -0.07 0.88 -0.10 0.00 -0.74 0.00 0.00 36.82 36.79 1bou h ILE 20 CO -0.05 0.06 -0.06 1.56 0.00 0.00 0.00 178.15 179.65 1bou h GLN 21 N -0.58 0.06 -0.44 2.37 4.20 -0.84 -0.76 115.11 119.12 1bou h GLN 21 Ca -0.04 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1bou h GLN 21 Cb 0.42 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1bou h GLN 21 CO 0.07 0.04 0.00 0.25 -0.67 0.00 0.00 178.83 178.52 1bou n THR 22 N -5.32 0.55 -2.63 -0.54 -2.24 -0.08 -4.92 114.28 99.09 1bou n THR 22 Ca 0.06 -0.40 -0.18 0.00 -2.27 0.00 0.00 64.05 61.26 1bou n THR 22 Cb 0.30 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1bou n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bou n GLY 23 N 0.71 -0.50 0.57 3.38 0.00 -0.29 -4.86 105.19 104.20 1bou n GLY 23 Ca 0.09 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.20 1bou n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bou n THR 24 N -3.86 0.85 0.11 2.61 -2.24 0.16 -4.62 114.28 107.29 1bou n THR 24 Ca -0.16 -0.92 0.06 0.00 -2.27 0.00 0.00 64.05 60.76 1bou n THR 24 Cb 0.63 0.61 0.34 0.00 -2.10 0.00 0.00 70.33 69.81 1bou n THR 24 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bou n SER 25 N 0.47 0.32 -0.79 3.42 3.41 -1.02 -1.41 113.62 118.03 1bou n SER 25 Ca 0.10 0.61 0.07 0.00 -0.26 0.00 0.00 58.87 59.39 1bou n SER 25 Cb 0.39 -0.63 0.20 0.00 -0.26 0.00 0.00 64.21 63.90 1bou n SER 25 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1bou n ASP 26 N -1.93 3.31 -3.12 4.04 3.85 -1.26 -3.01 116.55 118.41 1bou n ASP 26 Ca -0.01 -2.26 -0.17 0.00 -0.71 0.00 0.00 54.79 51.64 1bou n ASP 26 Cb 0.10 -0.34 0.13 0.00 -1.35 0.00 0.00 41.12 39.66 1bou n ASP 26 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1bou n ASN 27 N 0.37 -0.39 -0.37 -1.12 2.04 -0.50 -4.52 115.26 110.77 1bou n ASN 27 Ca 0.15 -1.18 0.01 0.00 -0.44 0.00 0.00 54.58 53.12 1bou n ASN 27 Cb 0.57 -0.60 0.16 0.00 -2.53 0.00 0.00 39.78 37.38 1bou n ASN 27 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 1bou h ASP 28 N -1.29 1.08 0.02 0.53 3.45 -1.95 0.55 116.42 118.80 1bou h ASP 28 Ca -0.25 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.20 1bou h ASP 28 Cb 0.71 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 1bou h ASP 28 CO 0.17 0.72 -0.01 0.22 -1.57 0.00 0.00 179.24 178.78 1bou h TYR 29 N 1.24 -0.03 0.00 4.55 5.03 -1.92 -3.39 116.97 122.45 1bou h TYR 29 Ca 0.41 -0.00 -0.17 0.00 2.58 0.00 0.00 58.73 61.54 1bou h TYR 29 Cb 0.05 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.31 1bou h TYR 29 CO -0.00 0.72 -0.90 -1.49 -1.32 0.00 0.00 178.16 175.17 1bou h TRP 30 N -0.89 0.00 -0.61 -3.82 4.06 -1.81 -3.39 115.95 109.50 1bou h TRP 30 Ca -0.00 0.00 0.12 0.00 2.06 0.00 0.00 58.89 61.06 1bou h TRP 30 Cb 0.76 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.80 1bou h TRP 30 CO 0.20 0.79 -0.26 0.78 -3.56 0.00 0.00 178.44 176.38 1bou h GLY 31 N 3.27 0.14 1.60 1.49 0.00 -0.79 0.08 103.07 108.87 1bou h GLY 31 Ca -0.04 0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.66 1bou h GLY 31 CO 0.10 -0.23 0.22 -2.55 0.00 0.00 0.00 176.54 174.08 1bou h PRO 32 N -0.10 0.35 -0.06 4.80 0.11 -1.79 -1.02 132.00 134.28 1bou h PRO 32 Ca 0.27 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.33 1bou h PRO 32 Cb 0.53 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 1bou h PRO 32 CO -0.67 0.23 -0.06 0.28 -0.21 0.00 0.00 178.00 177.56 1bou h VAL 33 N 0.36 1.37 -0.00 3.15 2.07 -1.24 -2.48 116.25 119.48 1bou h VAL 33 Ca 0.13 -1.21 -0.09 0.00 0.82 0.00 0.00 66.70 66.35 1bou h VAL 33 Cb 0.08 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1bou h VAL 33 CO -0.03 0.33 -0.42 -0.26 0.02 0.00 0.00 177.57 177.21 1bou h PHE 34 N -0.29 0.01 -0.61 1.57 -1.00 -1.03 -2.35 116.94 113.24 1bou h PHE 34 Ca 0.01 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.72 1bou h PHE 34 Cb 0.56 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.10 1bou h PHE 34 CO 0.09 0.43 0.11 -0.22 -1.61 0.00 0.00 178.31 177.10 1bou h LYS 35 N 0.00 0.98 0.00 1.51 3.11 -1.19 -2.16 116.57 118.82 1bou h LYS 35 Ca -0.00 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.60 1bou h LYS 35 Cb 0.75 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.85 1bou h LYS 35 CO 0.05 0.90 0.00 0.78 -2.81 0.00 0.00 179.45 178.37 1bou h GLY 36 N 1.03 0.00 0.89 5.01 0.00 -0.94 -2.03 103.07 107.03 1bou h GLY 36 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1bou h GLY 36 CO 0.01 0.00 -0.97 -1.72 0.00 0.00 0.00 176.54 173.86 1bou n TYR 37 N -3.08 0.65 -0.23 5.60 4.02 -0.85 -4.38 117.16 118.88 1bou n TYR 37 Ca -0.01 0.19 0.02 0.00 -0.01 0.00 0.00 57.90 58.09 1bou n TYR 37 Cb 0.22 -0.74 0.12 0.00 -0.02 0.00 0.00 39.34 38.92 1bou n TYR 37 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1bou h GLN 38 N 0.00 0.08 -0.56 -0.72 5.75 -0.96 -0.54 115.11 118.16 1bou h GLN 38 Ca 0.00 -0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1bou h GLN 38 Cb 0.87 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.37 1bou h GLN 38 CO 0.00 0.05 0.37 -1.35 -2.65 0.00 0.00 178.83 175.26 1bou h PRO 39 N 0.08 0.59 -0.28 -2.39 0.11 -1.76 0.11 132.00 128.46 1bou h PRO 39 Ca 0.36 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.30 1bou h PRO 39 Cb 0.59 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1bou h PRO 39 CO -0.62 0.39 -0.32 0.82 -0.21 0.00 0.00 178.00 178.06 1bou h ILE 40 N 0.61 1.30 -0.28 4.15 2.04 -1.41 -0.94 117.51 122.98 1bou h ILE 40 Ca 0.23 -1.50 0.01 0.00 1.00 0.00 0.00 64.86 64.60 1bou h ILE 40 Cb 0.16 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1bou h ILE 40 CO -0.06 0.48 0.16 0.03 0.00 0.00 0.00 178.15 178.75 1bou h ARG 41 N 0.45 0.32 0.00 2.37 3.08 -0.19 -0.40 114.38 120.01 1bou h ARG 41 Ca 0.04 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 1bou h ARG 41 Cb 0.90 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1bou h ARG 41 CO 0.08 0.21 -0.48 -0.44 -1.07 0.00 0.00 179.97 178.27 1bou h ASP 42 N 0.33 0.00 0.03 7.04 3.45 -0.81 -3.10 116.42 123.36 1bou h ASP 42 Ca 0.11 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.57 1bou h ASP 42 Cb -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1bou h ASP 42 CO -0.05 0.48 -0.01 -0.25 -1.57 0.00 0.00 179.24 177.84 1bou h TRP 43 N 0.00 -0.03 0.00 4.55 7.01 -0.72 -3.31 115.95 123.45 1bou h TRP 43 Ca -0.00 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1bou h TRP 43 Cb 0.88 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.95 1bou h TRP 43 CO 0.00 0.60 -0.06 0.97 -2.79 0.00 0.00 178.44 177.16 1bou h ILE 44 N -0.71 0.99 -0.06 2.65 2.10 -1.12 -2.60 117.51 118.77 1bou h ILE 44 Ca -0.00 -0.22 -0.14 0.00 1.08 0.00 0.00 64.86 65.57 1bou h ILE 44 Cb 0.65 1.12 -0.01 0.00 -1.09 0.00 0.00 36.82 37.49 1bou h ILE 44 CO 0.01 0.06 -0.61 0.07 -1.08 0.00 0.00 178.15 176.59 1bou h LYS 45 N 0.00 0.20 -6.34 2.19 2.10 -1.64 -2.21 116.57 110.88 1bou h LYS 45 Ca -0.00 -0.14 -0.64 0.00 -2.00 0.00 0.00 60.65 57.87 1bou h LYS 45 Cb 0.12 0.02 0.09 0.00 -0.90 0.00 0.00 32.23 31.56 1bou h LYS 45 CO 0.01 0.75 0.17 1.04 -2.00 0.00 0.00 179.45 179.42 1bou n GLN 46 N -3.86 1.10 -1.66 0.07 6.02 -0.98 -4.65 117.38 113.43 1bou n GLN 46 Ca -0.02 0.39 -0.49 0.00 -0.01 0.00 0.00 57.00 56.87 1bou n GLN 46 Cb 0.62 -1.82 -0.05 0.00 1.02 0.00 0.00 30.24 30.01 1bou n GLN 46 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1bou n PRO 47 N 1.44 1.82 -0.25 -1.09 -0.04 -1.26 -0.57 135.00 135.05 1bou n PRO 47 Ca 0.14 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 1bou n PRO 47 Cb 0.26 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1bou n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bou n GLY 48 N 3.47 0.91 0.02 0.55 0.00 -1.26 -4.84 105.19 104.04 1bou n GLY 48 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 1bou n GLY 48 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bou n ASN 49 N 0.00 1.77 -4.70 1.61 3.02 0.26 -4.94 115.26 112.29 1bou n ASN 49 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1bou n ASN 49 Cb 0.00 1.44 -0.03 0.00 -0.61 0.00 0.00 39.78 40.58 1bou n ASN 49 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1bou s MET 50 N -2.82 4.40 0.56 3.52 1.75 -0.83 -4.80 119.30 121.09 1bou s MET 50 Ca -0.05 1.65 -0.14 0.00 -1.25 0.00 0.00 55.69 55.90 1bou s MET 50 Cb 0.08 -3.48 -0.06 0.00 2.84 0.00 0.00 34.83 34.20 1bou s MET 50 CO 0.57 -0.34 1.00 -1.25 -0.65 0.00 0.00 175.02 174.35 1bou s PRO 51 N 1.73 3.78 -0.07 4.11 0.04 -1.26 -4.96 135.00 138.37 1bou s PRO 51 Ca 0.56 0.83 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 1bou s PRO 51 Cb -0.25 -2.12 -0.30 0.00 0.04 0.00 0.00 34.50 31.87 1bou s PRO 51 CO 0.24 -0.40 0.61 -0.44 0.04 0.00 0.00 177.00 177.05 1bou h ASP 52 N 0.35 0.56 -4.06 6.66 5.19 -1.01 -3.43 116.42 120.68 1bou h ASP 52 Ca -0.46 -0.93 -0.36 0.00 -0.62 0.00 0.00 57.03 54.66 1bou h ASP 52 Cb 1.19 -0.18 -0.28 0.00 0.18 0.00 0.00 39.33 40.24 1bou h ASP 52 CO 0.62 1.78 -0.77 -0.69 -3.12 0.00 0.00 179.24 177.07 1bou s VAL 53 N -2.56 0.60 -0.15 -1.35 1.01 -1.17 -0.98 120.40 115.80 1bou s VAL 53 Ca -0.18 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1bou s VAL 53 Cb 0.05 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.92 1bou s VAL 53 CO 0.83 0.11 -0.21 -0.69 0.00 0.00 0.00 175.10 175.14 1bou s VAL 54 N -0.31 2.16 -0.55 2.92 1.01 0.11 -2.04 120.40 123.70 1bou s VAL 54 Ca 0.02 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 1bou s VAL 54 Cb -0.04 -1.88 0.09 0.00 0.00 0.00 0.00 36.38 34.56 1bou s VAL 54 CO -0.00 0.54 0.63 -0.63 0.00 0.00 0.00 175.10 175.64 1bou s ILE 55 N 0.86 4.91 -0.44 2.22 1.01 -0.25 0.20 121.20 129.73 1bou s ILE 55 Ca -0.06 -0.89 -0.20 0.00 0.00 0.00 0.00 60.65 59.51 1bou s ILE 55 Cb -0.15 -4.38 0.02 0.00 0.01 0.00 0.00 42.46 37.96 1bou s ILE 55 CO -0.03 -0.95 0.58 -0.22 0.00 0.00 0.00 174.94 174.32 1bou s LEU 56 N 2.47 4.63 -0.21 2.97 0.20 -0.28 -1.45 118.68 127.02 1bou s LEU 56 Ca 0.11 -0.47 -0.20 0.00 0.69 0.00 0.00 54.13 54.26 1bou s LEU 56 Cb -0.23 -2.61 -0.03 0.00 -0.43 0.00 0.00 46.19 42.89 1bou s LEU 56 CO 0.08 -0.73 0.58 -0.69 -0.29 0.00 0.00 176.35 175.30 1bou s VAL 57 N 2.61 5.05 0.25 1.68 1.01 0.09 -0.36 120.40 130.73 1bou s VAL 57 Ca 0.19 1.07 -0.17 0.00 0.00 0.00 0.00 61.98 63.07 1bou s VAL 57 Cb -0.15 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.34 1bou s VAL 57 CO 0.17 0.13 0.59 -0.72 0.00 0.00 0.00 175.10 175.26 1bou s TYR 58 N 1.89 0.05 -0.13 5.22 -0.85 -1.07 -1.52 117.35 120.94 1bou s TYR 58 Ca 0.26 -0.45 -0.03 0.00 -0.52 0.00 0.00 57.07 56.33 1bou s TYR 58 Cb -0.16 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.59 1bou s TYR 58 CO 0.10 -1.08 -0.01 0.54 -1.52 0.00 0.00 175.55 173.57 1bou s ASN 59 N -2.95 5.06 0.18 -0.18 4.22 -1.26 -0.83 114.94 119.17 1bou s ASN 59 Ca 0.15 -0.00 -0.30 0.00 -2.14 0.00 0.00 52.86 50.57 1bou s ASN 59 Cb -0.03 -1.67 -0.09 0.00 1.28 0.00 0.00 41.25 40.75 1bou s ASN 59 CO 0.06 0.25 1.33 -0.62 -2.04 0.00 0.00 177.10 176.09 1bou s ASP 60 N -0.12 6.87 -1.02 3.54 -1.08 -1.26 -4.77 116.67 118.83 1bou s ASP 60 Ca 0.04 2.39 -0.01 0.00 -0.52 0.00 0.00 52.55 54.44 1bou s ASP 60 Cb -0.13 -2.60 0.31 0.00 -1.46 0.00 0.00 42.92 39.04 1bou s ASP 60 CO 0.02 -0.56 1.88 1.41 0.52 0.00 0.00 175.17 178.44 1bou n HIS 61 N 2.97 2.77 -3.54 -5.34 8.25 -1.26 -4.72 115.22 114.36 1bou n HIS 61 Ca 0.08 -2.55 -0.19 0.00 -0.26 0.00 0.00 57.72 54.80 1bou n HIS 61 Cb 0.43 -1.23 0.06 0.00 1.12 0.00 0.00 29.99 30.36 1bou n HIS 61 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bou n ALA 62 N -0.01 -2.08 0.02 -1.41 0.00 -1.26 -4.93 120.51 110.85 1bou n ALA 62 Ca 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.82 1bou n ALA 62 Cb 0.26 -2.55 -0.00 0.00 0.00 0.00 0.00 19.45 17.16 1bou n ALA 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bou n SER 63 N -3.09 0.75 0.10 0.00 7.64 -1.26 -4.81 113.62 112.95 1bou n SER 63 Ca -0.27 0.10 0.01 0.00 1.01 0.00 0.00 58.87 59.72 1bou n SER 63 Cb 0.67 -0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 1bou n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bou h ALA 64 N -0.14 0.63 -3.31 -0.43 0.00 -1.92 -3.44 119.26 110.66 1bou h ALA 64 Ca 0.00 -0.62 -0.65 0.00 0.00 0.00 0.00 54.91 53.65 1bou h ALA 64 Cb 0.06 0.01 -0.34 0.00 0.00 0.00 0.00 17.79 17.53 1bou h ALA 64 CO 0.00 0.78 -0.86 -0.06 0.00 0.00 0.00 179.25 179.10 1bou s PHE 65 N -2.92 2.37 0.00 0.00 0.08 -1.26 -4.95 117.98 111.29 1bou s PHE 65 Ca 0.02 -1.04 0.00 0.00 0.12 0.00 0.00 56.93 56.02 1bou s PHE 65 Cb 0.08 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 1bou s PHE 65 CO 0.77 -0.46 0.00 -0.40 -0.10 0.00 0.00 175.22 175.03 1bou n ASP 66 N 3.78 0.01 -0.05 1.36 3.85 -1.26 -4.25 116.55 119.99 1bou n ASP 66 Ca -0.20 0.00 0.15 0.00 -0.71 0.00 0.00 54.79 54.03 1bou n ASP 66 Cb 0.52 0.00 0.72 0.00 -1.35 0.00 0.00 41.12 41.01 1bou n ASP 66 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 1bou n MET 67 N 0.00 0.63 0.10 0.11 2.81 -1.26 -3.81 117.12 115.70 1bou n MET 67 Ca 0.00 -0.11 0.08 0.00 -1.81 0.00 0.00 57.70 55.86 1bou n MET 67 Cb 0.00 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 1bou n MET 67 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1bou h ASN 68 N 0.27 0.00 -3.14 7.83 2.35 -2.02 -3.45 115.58 117.42 1bou h ASN 68 Ca 0.00 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.46 1bou h ASN 68 Cb 0.28 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 38.30 1bou h ASN 68 CO 0.00 0.19 -0.64 -0.63 -1.65 0.00 0.00 177.43 174.70 1bou s ILE 69 N -3.20 -0.23 -0.38 2.81 1.01 -1.25 -5.11 121.20 114.86 1bou s ILE 69 Ca 0.00 0.34 0.01 0.00 0.00 0.00 0.00 60.65 61.00 1bou s ILE 69 Cb 0.09 -0.28 0.12 0.00 0.01 0.00 0.00 42.46 42.40 1bou s ILE 69 CO 0.78 0.14 0.18 -0.63 0.00 0.00 0.00 174.94 175.41 1bou s ILE 70 N 2.15 1.02 0.08 2.92 1.01 -1.26 -4.17 121.20 122.94 1bou s ILE 70 Ca 0.02 -2.01 -0.21 0.00 0.00 0.00 0.00 60.65 58.44 1bou s ILE 70 Cb -0.12 -1.73 -0.07 0.00 0.01 0.00 0.00 42.46 40.55 1bou s ILE 70 CO -0.06 -0.83 0.63 -2.16 0.00 0.00 0.00 174.94 172.52 1bou s PRO 71 N 0.91 4.32 0.02 2.79 0.04 -1.26 -4.99 135.00 136.83 1bou s PRO 71 Ca 0.15 0.85 -0.25 0.00 0.04 0.00 0.00 61.00 61.79 1bou s PRO 71 Cb -0.22 -3.27 -0.18 0.00 0.04 0.00 0.00 34.50 30.88 1bou s PRO 71 CO -0.08 0.56 1.38 1.15 0.04 0.00 0.00 177.00 180.05 1bou h THR 72 N 3.62 0.99 -3.69 1.26 2.02 -1.92 -3.34 112.91 111.84 1bou h THR 72 Ca -0.48 -0.61 -0.47 0.00 0.77 0.00 0.00 66.41 65.62 1bou h THR 72 Cb 1.21 1.36 -0.32 0.00 -1.74 0.00 0.00 68.15 68.66 1bou h THR 72 CO 0.65 0.14 -0.80 -0.36 0.37 0.00 0.00 175.52 175.53 1bou s PHE 73 N -4.95 1.16 0.08 3.16 2.99 -1.26 -1.86 117.98 117.30 1bou s PHE 73 Ca -0.15 -0.34 0.01 0.00 0.00 0.00 0.00 56.93 56.46 1bou s PHE 73 Cb 0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 43.02 42.17 1bou s PHE 73 CO 0.62 -0.16 -0.06 0.00 -0.00 0.00 0.00 175.22 175.61 1bou s ALA 74 N 0.37 0.80 -0.02 5.36 0.00 -0.84 -2.20 121.76 125.22 1bou s ALA 74 Ca -0.07 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1bou s ALA 74 Cb -0.11 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1bou s ALA 74 CO 0.01 -0.21 0.01 -1.50 0.00 0.00 0.00 175.76 174.07 1bou s ILE 75 N -3.13 0.12 -0.40 0.00 2.07 -0.87 -3.22 121.20 115.77 1bou s ILE 75 Ca 0.06 0.10 -0.25 0.00 -1.41 0.00 0.00 60.65 59.15 1bou s ILE 75 Cb 0.02 -0.21 0.02 0.00 0.13 0.00 0.00 42.46 42.42 1bou s ILE 75 CO -0.04 0.12 0.88 -0.83 -1.91 0.00 0.00 174.94 173.16 1bou s GLY 76 N 0.91 1.57 -0.07 1.50 0.00 -0.15 -1.33 107.32 109.74 1bou s GLY 76 Ca -0.09 -0.62 0.16 0.00 0.00 0.00 0.00 44.72 44.17 1bou s GLY 76 CO -0.02 1.94 1.45 0.00 0.00 0.00 0.00 173.10 176.47 1bou s ALA 78 N -1.63 2.76 -0.04 0.00 0.00 -1.25 -4.41 121.76 117.19 1bou s ALA 78 Ca 0.39 -0.43 -0.23 0.00 0.00 0.00 0.00 51.96 51.69 1bou s ALA 78 Cb 0.25 -3.01 -0.25 0.00 0.00 0.00 0.00 23.12 20.11 1bou s ALA 78 CO 0.20 -1.37 1.01 1.49 0.00 0.00 0.00 175.76 177.09 1bou h GLU 79 N -0.83 0.26 -5.27 0.00 4.81 -1.91 -3.38 114.58 108.27 1bou h GLU 79 Ca -0.46 -0.31 -0.40 0.00 -0.13 0.00 0.00 59.36 58.07 1bou h GLU 79 Cb 1.28 0.09 -0.21 0.00 0.63 0.00 0.00 28.75 30.54 1bou h GLU 79 CO 0.64 1.04 -0.77 0.99 -0.73 0.00 0.00 179.01 180.18 1bou s THR 80 N -2.98 1.05 -0.08 0.32 2.01 -1.26 -0.92 115.64 113.78 1bou s THR 80 Ca -0.15 -1.28 -0.00 0.00 0.31 0.00 0.00 61.69 60.57 1bou s THR 80 Cb 0.01 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1bou s THR 80 CO 0.78 -0.24 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.07 1bou s PHE 81 N -1.28 0.98 0.12 4.92 0.40 0.04 -4.83 117.98 118.33 1bou s PHE 81 Ca -0.03 -0.37 -0.17 0.00 -0.60 0.00 0.00 56.93 55.77 1bou s PHE 81 Cb -0.10 -0.91 -0.07 0.00 0.51 0.00 0.00 43.02 42.45 1bou s PHE 81 CO 0.02 -0.34 0.57 0.15 0.70 0.00 0.00 175.22 176.32 1bou s LYS 82 N 1.53 4.09 0.19 0.44 -0.14 -1.26 -1.23 119.74 123.35 1bou s LYS 82 Ca -0.01 0.62 -0.31 0.00 -1.36 0.00 0.00 55.97 54.91 1bou s LYS 82 Cb -0.13 -3.05 -0.11 0.00 -1.68 0.00 0.00 37.83 32.86 1bou s LYS 82 CO -0.04 0.54 1.59 -2.14 -0.76 0.00 0.00 175.35 174.54 1bou s PRO 83 N -1.60 4.19 0.66 -1.68 0.02 -1.26 -1.51 135.00 133.82 1bou s PRO 83 Ca 0.34 2.42 -0.14 0.00 0.02 0.00 0.00 61.00 63.65 1bou s PRO 83 Cb -0.17 -3.12 -0.00 0.00 0.02 0.00 0.00 34.50 31.23 1bou s PRO 83 CO 0.19 -0.62 1.08 0.00 -0.33 0.00 0.00 177.00 177.32 1bou s ALA 84 N 0.96 2.57 -0.39 -1.55 0.00 -0.51 -4.51 121.76 118.32 1bou s ALA 84 Ca 0.70 0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.87 1bou s ALA 84 Cb -0.45 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.42 1bou s ALA 84 CO 0.34 -1.19 0.35 0.34 0.00 0.00 0.00 175.76 175.60 1bou s ASP 85 N -3.00 6.14 -0.19 0.00 -1.08 -1.26 -3.64 116.67 113.64 1bou s ASP 85 Ca 0.63 -0.64 0.15 0.00 -0.52 0.00 0.00 52.55 52.17 1bou s ASP 85 Cb -0.17 -2.18 0.68 0.00 -1.46 0.00 0.00 42.92 39.79 1bou s ASP 85 CO 0.45 -0.44 1.60 -0.62 0.52 0.00 0.00 175.17 176.67 1bou n GLU 86 N 5.33 3.95 0.00 4.34 1.02 -1.26 -4.89 120.64 129.14 1bou n GLU 86 Ca -0.10 -2.96 0.00 0.00 -0.02 0.00 0.00 57.16 54.08 1bou n GLU 86 Cb 0.48 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1bou n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bou n GLY 87 N 0.30 1.22 0.71 0.62 0.00 -1.26 -4.94 105.19 101.84 1bou n GLY 87 Ca 0.25 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.33 1bou n GLY 87 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bou n TRP 88 N 0.00 0.48 0.00 1.61 7.02 -1.26 -5.09 117.44 120.20 1bou n TRP 88 Ca 0.00 -0.45 0.00 0.00 -1.02 0.00 0.00 57.50 56.03 1bou n TRP 88 Cb 0.00 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 28.87 1bou n TRP 88 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1bou n GLY 89 N 0.67 1.29 3.72 6.99 0.00 -1.26 -4.95 105.19 111.65 1bou n GLY 89 Ca 0.13 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1bou n GLY 89 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bou n PRO 90 N 1.42 2.42 -1.72 1.61 -0.02 -1.26 -4.28 135.00 133.17 1bou n PRO 90 Ca 0.00 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 1bou n PRO 90 Cb 0.00 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 30.90 1bou n PRO 90 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bou n ARG 91 N 1.43 2.75 -1.20 -0.52 5.12 -1.24 -4.84 116.66 118.17 1bou n ARG 91 Ca 0.07 0.99 -0.35 0.00 -1.93 0.00 0.00 57.85 56.63 1bou n ARG 91 Cb 0.36 -2.84 -0.02 0.00 -1.16 0.00 0.00 32.46 28.80 1bou n ARG 91 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1bou n PRO 92 N 3.91 2.60 -4.31 5.56 -0.04 -1.26 -4.84 135.00 136.62 1bou n PRO 92 Ca 0.16 -2.00 -0.16 0.00 -0.04 0.00 0.00 63.50 61.46 1bou n PRO 92 Cb 0.35 -2.83 -0.10 0.00 -0.04 0.00 0.00 33.50 30.88 1bou n PRO 92 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1bou s VAL 93 N 3.32 1.05 0.64 0.52 -7.23 -1.26 -5.11 120.40 112.32 1bou s VAL 93 Ca 0.53 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 58.50 1bou s VAL 93 Cb 0.14 -2.25 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 1bou s VAL 93 CO -0.02 -0.40 1.17 -2.84 -0.31 0.00 0.00 175.10 172.69 1bou s PRO 94 N -3.84 2.74 0.62 4.82 0.02 -1.26 -4.90 135.00 133.20 1bou s PRO 94 Ca 0.26 1.67 -0.19 0.00 0.02 0.00 0.00 61.00 62.76 1bou s PRO 94 Cb 0.05 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.63 1bou s PRO 94 CO 0.07 -1.35 1.31 -0.51 -0.33 0.00 0.00 177.00 176.19 1bou s ASP 95 N -2.00 4.75 -0.19 2.53 1.01 -1.26 -4.86 116.67 116.65 1bou s ASP 95 Ca 0.73 2.66 -0.20 0.00 0.71 0.00 0.00 52.55 56.45 1bou s ASP 95 Cb -0.27 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.01 1bou s ASP 95 CO 0.38 -1.91 0.60 -0.69 0.21 0.00 0.00 175.17 173.75 1bou s VAL 96 N -1.37 5.05 -0.23 -1.27 1.01 -0.37 -4.72 120.40 118.51 1bou s VAL 96 Ca 0.80 1.13 -0.14 0.00 0.00 0.00 0.00 61.98 63.77 1bou s VAL 96 Cb -0.38 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1bou s VAL 96 CO 0.42 0.14 0.33 -0.54 0.00 0.00 0.00 175.10 175.45 1bou s LYS 97 N 1.72 4.11 0.00 2.72 -0.14 -1.26 -0.78 119.74 126.11 1bou s LYS 97 Ca 0.28 0.05 0.00 0.00 -1.36 0.00 0.00 55.97 54.94 1bou s LYS 97 Cb -0.16 -3.57 0.00 0.00 -1.68 0.00 0.00 37.83 32.43 1bou s LYS 97 CO 0.11 -0.07 0.00 0.41 -0.76 0.00 0.00 175.35 175.03 1bou n GLY 98 N 4.20 0.92 2.48 -3.33 0.00 -0.10 -0.09 105.19 109.28 1bou n GLY 98 Ca -0.10 -1.94 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 1bou n GLY 98 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bou s HIS 99 N 0.71 1.10 0.29 1.61 2.46 -1.26 -4.60 115.29 115.59 1bou s HIS 99 Ca 0.00 -2.03 0.03 0.00 0.47 0.00 0.00 55.06 53.53 1bou s HIS 99 Cb 0.00 -1.09 0.64 0.00 -0.13 0.00 0.00 32.58 32.00 1bou s HIS 99 CO 0.00 -0.81 1.78 -1.35 -2.47 0.00 0.00 174.74 171.89 1bou h PRO 100 N 6.44 0.75 0.66 2.88 0.11 -1.77 0.01 132.00 141.08 1bou h PRO 100 Ca 0.13 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1bou h PRO 100 Cb 0.94 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1bou h PRO 100 CO 0.34 0.49 -0.35 -0.44 -0.21 0.00 0.00 178.00 177.84 1bou h ASP 101 N 0.77 -0.84 -0.63 -2.05 3.32 -1.95 0.29 116.42 115.33 1bou h ASP 101 Ca 0.53 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.52 1bou h ASP 101 Cb 0.74 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 1bou h ASP 101 CO -0.35 -0.57 0.03 0.25 -1.72 0.00 0.00 179.24 176.88 1bou h LEU 102 N -0.93 1.07 -0.23 1.55 5.85 -1.95 -1.97 115.31 118.69 1bou h LEU 102 Ca -0.09 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1bou h LEU 102 Cb 0.73 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1bou h LEU 102 CO 0.13 1.10 0.15 0.00 -0.34 0.00 0.00 178.44 179.47 1bou h ALA 103 N 1.01 0.29 -0.13 1.25 0.00 -0.91 0.53 119.26 121.30 1bou h ALA 103 Ca 0.18 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1bou h ALA 103 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1bou h ALA 103 CO 0.03 -0.24 -0.47 -1.49 0.00 0.00 0.00 179.25 177.08 1bou h TRP 104 N 0.31 0.40 -0.26 0.00 4.06 -0.92 -0.49 115.95 119.05 1bou h TRP 104 Ca 0.09 -0.12 -0.03 0.00 2.06 0.00 0.00 58.89 60.88 1bou h TRP 104 Cb -0.03 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 1bou h TRP 104 CO -0.07 0.74 0.04 1.25 -3.56 0.00 0.00 178.44 176.84 1bou h HIS 105 N 0.27 0.47 -0.40 0.49 2.76 -1.05 -1.01 115.15 116.68 1bou h HIS 105 Ca 0.02 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.10 1bou h HIS 105 Cb 0.93 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 1bou h HIS 105 CO 0.02 0.56 0.18 0.82 -1.30 0.00 0.00 177.93 178.21 1bou h ILE 106 N 0.25 1.18 -0.37 6.26 2.04 -0.74 -1.87 117.51 124.26 1bou h ILE 106 Ca 0.08 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.43 1bou h ILE 106 Cb 0.35 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1bou h ILE 106 CO 0.01 0.20 0.20 0.00 0.00 0.00 0.00 178.15 178.55 1bou h ALA 107 N 1.03 0.46 -0.71 1.87 0.00 -0.94 -0.85 119.26 120.12 1bou h ALA 107 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1bou h ALA 107 Cb 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1bou h ALA 107 CO -0.02 -0.16 0.30 1.96 0.00 0.00 0.00 179.25 181.34 1bou h GLN 108 N 0.40 1.03 -0.42 0.00 4.20 -1.06 -2.85 115.11 116.41 1bou h GLN 108 Ca 0.15 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 1bou h GLN 108 Cb 0.04 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1bou h GLN 108 CO -0.09 0.82 -0.19 0.77 -0.67 0.00 0.00 178.83 179.47 1bou h SER 109 N 1.01 0.90 -0.48 1.46 0.02 -0.87 -2.50 113.55 113.10 1bou h SER 109 Ca 0.24 -0.40 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 1bou h SER 109 Cb 0.16 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1bou h SER 109 CO -0.02 1.10 0.08 -0.07 -1.14 0.00 0.00 176.83 176.78 1bou h LEU 110 N 0.70 0.80 -0.34 5.07 3.38 -1.04 -0.04 115.31 123.83 1bou h LEU 110 Ca 0.10 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1bou h LEU 110 Cb 0.75 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1bou h LEU 110 CO 0.06 0.81 -0.37 0.40 0.09 0.00 0.00 178.44 179.43 1bou h ILE 111 N 0.81 1.28 0.00 1.22 2.04 -1.48 0.59 117.51 121.96 1bou h ILE 111 Ca 0.17 -1.55 -0.02 0.00 1.00 0.00 0.00 64.86 64.46 1bou h ILE 111 Cb 0.36 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1bou h ILE 111 CO 0.01 0.51 -0.11 -0.07 0.00 0.00 0.00 178.15 178.48 1bou h LEU 112 N 0.65 0.00 -2.63 1.44 3.38 -1.19 -0.85 115.31 116.11 1bou h LEU 112 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1bou h LEU 112 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1bou h LEU 112 CO 0.09 0.11 0.00 -0.67 0.09 0.00 0.00 178.44 178.07 1bou n ASP 113 N -3.41 4.05 -2.95 -0.43 4.64 -0.05 -4.93 116.55 113.47 1bou n ASP 113 Ca -0.01 -2.51 -0.18 0.00 -1.38 0.00 0.00 54.79 50.72 1bou n ASP 113 Cb 0.29 -0.57 0.07 0.00 -1.04 0.00 0.00 41.12 39.86 1bou n ASP 113 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1bou n GLU 114 N 0.60 -6.06 -4.64 -0.67 1.02 -0.32 -5.00 120.64 105.57 1bou n GLU 114 Ca 0.20 0.66 -0.33 0.00 -0.02 0.00 0.00 57.16 57.66 1bou n GLU 114 Cb 0.82 -5.18 -0.15 0.00 -0.02 0.00 0.00 31.44 26.91 1bou n GLU 114 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1bou s PHE 115 N -3.26 2.79 -1.35 -0.32 0.08 0.15 -5.00 117.98 111.06 1bou s PHE 115 Ca 0.35 -0.86 -0.13 0.00 0.12 0.00 0.00 56.93 56.40 1bou s PHE 115 Cb -0.15 -1.87 0.10 0.00 -0.57 0.00 0.00 43.02 40.52 1bou s PHE 115 CO 0.58 -0.36 1.95 -0.25 -0.10 0.00 0.00 175.22 177.04 1bou n ASP 116 N 3.84 4.57 -4.76 1.36 8.00 -1.26 -3.59 116.55 124.72 1bou n ASP 116 Ca -0.19 -2.95 -0.33 0.00 0.71 0.00 0.00 54.79 52.03 1bou n ASP 116 Cb 0.52 -1.61 0.06 0.00 -0.02 0.00 0.00 41.12 40.07 1bou n ASP 116 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1bou s MET 117 N 2.33 2.59 -0.19 -1.24 -1.94 -1.26 -4.77 119.30 114.82 1bou s MET 117 Ca 0.45 1.45 0.00 0.00 -1.71 0.00 0.00 55.69 55.89 1bou s MET 117 Cb 0.09 -1.92 0.02 0.00 2.01 0.00 0.00 34.83 35.03 1bou s MET 117 CO -0.02 -1.42 -0.17 0.99 -0.01 0.00 0.00 175.02 174.39 1bou s THR 118 N -2.31 2.31 -0.13 2.05 2.01 -0.94 -5.03 115.64 113.60 1bou s THR 118 Ca 0.68 -0.90 -0.19 0.00 0.31 0.00 0.00 61.69 61.59 1bou s THR 118 Cb -0.22 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1bou s THR 118 CO 0.43 0.49 0.54 -0.63 -0.69 0.00 0.00 174.62 174.76 1bou s ILE 119 N 1.32 5.14 -0.21 1.82 1.01 -1.26 -2.05 121.20 126.96 1bou s ILE 119 Ca 0.04 1.06 -0.04 0.00 0.00 0.00 0.00 60.65 61.72 1bou s ILE 119 Cb -0.14 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 1bou s ILE 119 CO -0.11 0.27 -0.05 -0.04 0.00 0.00 0.00 174.94 175.01 1bou s MET 120 N 0.95 3.38 0.00 2.79 -1.94 -0.44 -4.94 119.30 119.10 1bou s MET 120 Ca 0.28 -0.63 0.12 0.00 -1.71 0.00 0.00 55.69 53.75 1bou s MET 120 Cb -0.16 -2.98 0.29 0.00 2.01 0.00 0.00 34.83 34.00 1bou s MET 120 CO 0.11 -0.16 1.20 0.09 -0.01 0.00 0.00 175.02 176.25 1bou n ASN 121 N 4.68 2.82 -3.45 3.03 5.03 -1.26 -0.58 115.26 125.52 1bou n ASN 121 Ca -0.18 -1.89 0.01 0.00 0.87 0.00 0.00 54.58 53.39 1bou n ASN 121 Cb 0.51 -0.20 -0.04 0.00 -1.02 0.00 0.00 39.78 39.03 1bou n ASN 121 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1bou s GLN 122 N -1.01 0.40 -0.22 3.52 0.74 -1.26 -4.51 119.66 117.32 1bou s GLN 122 Ca 0.24 0.98 -0.28 0.00 0.05 0.00 0.00 55.36 56.34 1bou s GLN 122 Cb 0.13 0.58 0.13 0.00 1.10 0.00 0.00 33.01 34.95 1bou s GLN 122 CO 0.17 -0.18 1.06 0.00 -0.55 0.00 0.00 175.29 175.79 1bou s MET 123 N 2.66 0.50 0.31 1.67 0.23 -1.26 -5.12 119.30 118.29 1bou s MET 123 Ca -0.02 0.30 -0.12 0.00 -1.03 0.00 0.00 55.69 54.81 1bou s MET 123 Cb -0.09 0.24 -0.08 0.00 -1.53 0.00 0.00 34.83 33.37 1bou s MET 123 CO -0.18 -0.12 0.68 -0.51 -2.03 0.00 0.00 175.02 172.86 1bou s ASP 124 N -0.55 6.69 -0.19 -1.18 1.01 -1.26 -4.30 116.67 116.88 1bou s ASP 124 Ca 0.01 1.14 -0.04 0.00 0.71 0.00 0.00 52.55 54.37 1bou s ASP 124 Cb -0.02 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 1bou s ASP 124 CO -0.03 -0.19 -0.04 0.68 0.21 0.00 0.00 175.17 175.80 1bou s VAL 125 N -1.99 3.60 0.48 -1.27 -7.23 -0.57 -4.54 120.40 108.88 1bou s VAL 125 Ca 0.51 -0.43 -0.03 0.00 -1.81 0.00 0.00 61.98 60.22 1bou s VAL 125 Cb -0.10 -2.61 0.10 0.00 0.56 0.00 0.00 36.38 34.32 1bou s VAL 125 CO 0.21 0.44 0.66 -0.90 -0.31 0.00 0.00 175.10 175.20 1bou n ASP 126 N 4.31 0.64 0.02 4.85 3.85 -1.26 -1.42 116.55 127.53 1bou n ASP 126 Ca -0.18 -1.60 0.22 0.00 -0.71 0.00 0.00 54.79 52.53 1bou n ASP 126 Cb 0.52 -0.45 0.64 0.00 -1.35 0.00 0.00 41.12 40.47 1bou n ASP 126 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.20 177.31 1bou h HIS 127 N -0.75 0.00 -0.06 2.11 2.07 -1.92 0.59 115.15 117.19 1bou h HIS 127 Ca -0.22 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.28 1bou h HIS 127 Cb 0.74 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.72 1bou h HIS 127 CO 0.00 0.00 -0.08 0.78 -3.07 0.00 0.00 177.93 175.56 1bou h GLY 128 N 0.00 0.09 0.21 6.13 0.00 -1.86 -1.20 103.07 106.44 1bou h GLY 128 Ca 0.27 -0.04 -0.36 0.00 0.00 0.00 0.00 47.33 47.19 1bou h GLY 128 CO -0.00 0.04 -2.09 0.00 0.00 0.00 0.00 176.54 174.49 1bou h THR 130 N -0.34 1.20 -0.50 0.00 1.35 -1.48 -3.34 112.91 109.79 1bou h THR 130 Ca -0.50 -2.81 -0.05 0.00 -0.55 0.00 0.00 66.41 62.50 1bou h THR 130 Cb 1.78 2.56 -0.02 0.00 -1.73 0.00 0.00 68.15 70.75 1bou h THR 130 CO -0.11 0.68 0.13 0.58 -0.25 0.00 0.00 175.52 176.56 1bou h VAL 131 N 0.00 1.24 -0.42 6.82 2.07 -1.48 -1.86 116.25 122.61 1bou h VAL 131 Ca -0.07 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1bou h VAL 131 Cb 1.68 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1bou h VAL 131 CO 0.09 0.30 0.22 -0.65 0.02 0.00 0.00 177.57 177.55 1bou h PRO 132 N 0.68 0.58 -0.46 1.57 0.11 -1.76 -0.40 132.00 132.32 1bou h PRO 132 Ca 0.16 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 1bou h PRO 132 Cb 0.31 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1bou h PRO 132 CO -0.00 0.44 -0.10 -0.07 -0.21 0.00 0.00 178.00 178.05 1bou h LEU 133 N 0.59 0.81 -0.42 2.35 3.38 -1.60 -1.65 115.31 118.77 1bou h LEU 133 Ca 0.15 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 1bou h LEU 133 Cb 0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1bou h LEU 133 CO -0.02 0.94 -0.38 0.28 0.09 0.00 0.00 178.44 179.34 1bou h SER 134 N 0.74 0.98 -0.05 -0.43 0.02 -0.60 0.21 113.55 114.42 1bou h SER 134 Ca 0.12 -0.44 -0.10 0.00 -0.84 0.00 0.00 61.79 60.53 1bou h SER 134 Cb 0.60 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1bou h SER 134 CO 0.04 1.24 -0.26 0.24 -1.14 0.00 0.00 176.83 176.94 1bou h MET 135 N 0.75 0.49 0.00 3.45 2.86 -0.91 -0.43 114.93 121.14 1bou h MET 135 Ca 0.06 -0.19 -0.34 0.00 -2.06 0.00 0.00 59.70 57.17 1bou h MET 135 Cb 0.97 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.54 1bou h MET 135 CO 0.09 0.71 -2.26 -0.89 1.06 0.00 0.00 176.91 175.62 1bou n ILE 136 N -4.11 1.38 0.61 -1.22 5.41 -0.64 -4.49 119.36 116.29 1bou n ILE 136 Ca -0.00 -0.84 0.07 0.00 1.00 0.00 0.00 62.75 62.98 1bou n ILE 136 Cb 0.41 -0.54 0.05 0.00 -0.71 0.00 0.00 39.64 38.86 1bou n ILE 136 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1bou n PHE 137 N -2.78 0.00 -4.07 1.39 0.99 0.74 -4.51 117.46 109.22 1bou n PHE 137 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.16 1bou n PHE 137 Cb 1.12 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.60 1bou n PHE 137 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1bou n GLY 138 N 0.86 1.30 2.60 1.37 0.00 -0.17 -4.21 105.19 106.95 1bou n GLY 138 Ca 0.08 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 1bou n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bou n GLU 139 N 12.71 2.69 -1.87 1.61 1.02 -1.26 -4.43 120.64 131.11 1bou n GLU 139 Ca 0.00 -4.66 -0.30 0.00 -0.02 0.00 0.00 57.16 52.18 1bou n GLU 139 Cb 0.00 -2.20 0.04 0.00 -0.02 0.00 0.00 31.44 29.26 1bou n GLU 139 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1bou s PRO 140 N -2.81 3.07 0.53 3.49 0.04 -1.26 -4.94 135.00 133.12 1bou s PRO 140 Ca 0.43 0.56 0.32 0.00 0.04 0.00 0.00 61.00 62.35 1bou s PRO 140 Cb 0.20 -2.04 1.20 0.00 0.04 0.00 0.00 34.50 33.91 1bou s PRO 140 CO -0.06 -0.91 1.93 1.49 0.04 0.00 0.00 177.00 179.48 1bou h GLU 141 N -0.56 0.00 -2.66 4.56 4.81 -1.98 -3.44 114.58 115.31 1bou h GLU 141 Ca -0.45 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.68 1bou h GLU 141 Cb 1.23 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.40 1bou h GLU 141 CO 0.63 0.00 -0.14 -1.21 -0.73 0.00 0.00 179.01 177.56 1bou s GLU 142 N -3.60 0.69 0.37 1.92 2.02 -1.26 -4.75 118.70 114.10 1bou s GLU 142 Ca 0.02 0.23 -0.27 0.00 0.02 0.00 0.00 54.97 54.97 1bou s GLU 142 Cb 0.08 0.32 -0.09 0.00 0.10 0.00 0.00 34.13 34.54 1bou s GLU 142 CO 0.56 -0.16 1.28 -1.58 0.02 0.00 0.00 175.26 175.38 1bou s TRP 143 N -0.67 2.97 -1.65 1.61 0.52 -1.26 -4.89 118.94 115.57 1bou s TRP 143 Ca -0.08 1.44 0.15 0.00 0.02 0.00 0.00 56.10 57.63 1bou s TRP 143 Cb -0.03 -3.63 0.80 0.00 -1.15 0.00 0.00 33.47 29.45 1bou s TRP 143 CO 0.04 -1.86 1.37 -0.35 0.02 0.00 0.00 176.95 176.17 1bou n PRO 144 N 0.45 0.31 -3.98 4.98 -0.04 -1.26 -4.84 135.00 130.62 1bou n PRO 144 Ca 0.02 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1bou n PRO 144 Cb 0.43 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 1bou n PRO 144 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bou s LYS 146 N -3.34 3.94 -0.04 0.00 -0.14 -0.15 -4.75 119.74 115.26 1bou s LYS 146 Ca 0.23 0.59 0.02 0.00 -1.36 0.00 0.00 55.97 55.45 1bou s LYS 146 Cb -0.02 -2.45 0.01 0.00 -1.68 0.00 0.00 37.83 33.69 1bou s LYS 146 CO 0.13 0.15 -0.09 0.08 -0.76 0.00 0.00 175.35 174.85 1bou s VAL 147 N -2.02 0.87 -0.37 3.17 1.01 0.87 0.05 120.40 123.98 1bou s VAL 147 Ca 0.53 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 1bou s VAL 147 Cb -0.10 -0.80 0.07 0.00 0.00 0.00 0.00 36.38 35.56 1bou s VAL 147 CO 0.20 0.28 0.14 -0.63 0.00 0.00 0.00 175.10 175.09 1bou s ILE 148 N 0.45 3.50 0.20 2.22 1.01 0.13 -3.68 121.20 125.04 1bou s ILE 148 Ca -0.08 -1.56 -0.30 0.00 0.00 0.00 0.00 60.65 58.71 1bou s ILE 148 Cb -0.12 -3.16 -0.09 0.00 0.01 0.00 0.00 42.46 39.10 1bou s ILE 148 CO 0.01 -0.40 1.31 -2.84 0.00 0.00 0.00 174.94 173.02 1bou s PRO 149 N 1.28 4.39 -0.53 2.79 0.02 -1.26 -1.12 135.00 140.57 1bou s PRO 149 Ca 0.02 2.06 0.04 0.00 0.02 0.00 0.00 61.00 63.14 1bou s PRO 149 Cb -0.21 -3.19 0.16 0.00 0.02 0.00 0.00 34.50 31.28 1bou s PRO 149 CO -0.01 -0.25 0.38 0.12 -0.33 0.00 0.00 177.00 176.91 1bou s PHE 150 N 0.08 2.14 0.13 6.54 5.36 0.51 -0.98 117.98 131.76 1bou s PHE 150 Ca 0.56 -2.71 -0.31 0.00 -0.96 0.00 0.00 56.93 53.52 1bou s PHE 150 Cb -0.37 -1.72 -0.08 0.00 -0.34 0.00 0.00 43.02 40.52 1bou s PHE 150 CO 0.39 -0.71 1.32 -2.14 -1.46 0.00 0.00 175.22 172.62 1bou s PRO 151 N -0.46 4.37 -0.05 10.12 0.02 -1.20 -2.59 135.00 145.21 1bou s PRO 151 Ca 0.28 2.00 0.06 0.00 0.02 0.00 0.00 61.00 63.35 1bou s PRO 151 Cb -0.04 -3.25 -0.01 0.00 0.02 0.00 0.00 34.50 31.22 1bou s PRO 151 CO -0.16 -0.34 -0.23 0.08 -0.33 0.00 0.00 177.00 176.02 1bou s VAL 152 N 0.81 1.91 -0.21 3.83 1.01 -0.01 -2.00 120.40 125.75 1bou s VAL 152 Ca 0.61 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 1bou s VAL 152 Cb -0.35 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1bou s VAL 152 CO 0.32 0.53 1.01 0.21 0.00 0.00 0.00 175.10 177.17 1bou s ASN 153 N -0.13 7.09 -0.01 3.32 2.47 -0.78 -4.10 114.94 122.80 1bou s ASN 153 Ca -0.03 1.36 0.01 0.00 0.42 0.00 0.00 52.86 54.62 1bou s ASN 153 Cb -0.13 -2.53 0.01 0.00 -1.45 0.00 0.00 41.25 37.15 1bou s ASN 153 CO 0.03 -0.61 0.80 1.33 -3.72 0.00 0.00 177.10 174.93 1bou n VAL 154 N 5.18 0.13 -0.09 -5.21 0.24 -1.26 -4.06 118.33 113.25 1bou n VAL 154 Ca 0.11 -0.15 -0.13 0.00 -2.04 0.00 0.00 64.34 62.13 1bou n VAL 154 Cb 0.47 0.67 -0.06 0.00 -1.47 0.00 0.00 33.84 33.45 1bou n VAL 154 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1bou n VAL 155 N -0.09 1.48 -3.87 3.34 0.31 -1.26 -4.90 118.33 113.34 1bou n VAL 155 Ca 0.01 0.07 -0.35 0.00 -0.01 0.00 0.00 64.34 64.06 1bou n VAL 155 Cb 0.60 -2.22 -0.09 0.00 -0.91 0.00 0.00 33.84 31.21 1bou n VAL 155 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1bou s THR 156 N -2.38 5.01 0.37 2.52 2.01 -1.26 -5.05 115.64 116.85 1bou s THR 156 Ca -0.23 0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.57 1bou s THR 156 Cb 0.05 -3.28 -0.10 0.00 0.01 0.00 0.00 72.50 69.18 1bou s THR 156 CO 0.40 0.43 0.99 -0.31 -0.69 0.00 0.00 174.62 175.44 1bou s TYR 157 N 0.52 3.47 0.08 4.92 1.51 -1.26 -3.97 117.35 122.63 1bou s TYR 157 Ca 0.05 1.70 -0.14 0.00 -1.01 0.00 0.00 57.07 57.67 1bou s TYR 157 Cb -0.12 -3.00 -0.06 0.00 -0.11 0.00 0.00 41.96 38.66 1bou s TYR 157 CO 0.00 -0.17 0.49 -1.25 -1.11 0.00 0.00 175.55 173.51 1bou s PRO 158 N -2.36 3.96 0.84 -1.71 0.04 -1.26 -5.18 135.00 129.32 1bou s PRO 158 Ca 0.55 0.45 -0.12 0.00 0.04 0.00 0.00 61.00 61.92 1bou s PRO 158 Cb -0.19 -3.07 0.09 0.00 0.04 0.00 0.00 34.50 31.37 1bou s PRO 158 CO 0.24 0.58 1.16 -2.14 0.04 0.00 0.00 177.00 176.88 1bou s PRO 159 N -1.58 1.75 0.88 0.56 0.02 -1.25 -5.00 135.00 130.37 1bou s PRO 159 Ca 0.32 0.21 -0.11 0.00 0.02 0.00 0.00 61.00 61.44 1bou s PRO 159 Cb -0.16 -1.92 0.12 0.00 0.02 0.00 0.00 34.50 32.56 1bou s PRO 159 CO 0.17 -1.76 1.10 -1.25 -0.33 0.00 0.00 177.00 174.94 1bou s PRO 160 N -5.45 1.39 0.66 5.54 0.04 -1.26 -4.99 135.00 130.93 1bou s PRO 160 Ca 0.62 1.20 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 1bou s PRO 160 Cb -0.12 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 1bou s PRO 160 CO 0.51 -2.26 1.05 -1.54 0.04 0.00 0.00 177.00 174.80 1bou s SER 161 N -3.09 5.61 0.36 6.66 1.04 -1.26 -4.89 113.70 118.13 1bou s SER 161 Ca 0.64 1.62 0.04 0.00 0.48 0.00 0.00 55.95 58.73 1bou s SER 161 Cb -0.20 -2.50 0.68 0.00 0.10 0.00 0.00 66.02 64.11 1bou s SER 161 CO 0.58 -1.29 1.98 1.23 0.98 0.00 0.00 173.24 176.71 1bou h GLY 162 N -0.42 0.70 1.11 7.32 0.00 -1.79 -1.64 103.07 108.34 1bou h GLY 162 Ca -0.44 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.50 1bou h GLY 162 CO 0.58 0.30 0.13 1.70 0.00 0.00 0.00 176.54 179.24 1bou h LYS 163 N 0.66 1.10 -0.22 4.80 3.64 -1.56 -1.54 116.57 123.44 1bou h LYS 163 Ca 0.17 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1bou h LYS 163 Cb 0.06 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1bou h LYS 163 CO -0.02 0.99 -0.10 -0.09 -2.27 0.00 0.00 179.45 177.96 1bou h ARG 164 N 1.03 0.46 -0.20 1.90 9.65 -1.70 -2.26 114.38 123.27 1bou h ARG 164 Ca 0.21 -0.20 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1bou h ARG 164 Cb 0.41 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1bou h ARG 164 CO 0.01 0.73 0.12 0.00 2.80 0.00 0.00 179.97 183.63 1bou h PHE 166 N 0.25 0.08 -0.64 0.00 -0.00 -1.27 -0.99 116.94 114.36 1bou h PHE 166 Ca 0.08 0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 58.06 1bou h PHE 166 Cb -0.01 0.02 -0.03 0.00 -0.00 0.00 0.00 35.95 35.93 1bou h PHE 166 CO -0.08 -0.00 0.35 0.00 -0.00 0.00 0.00 178.31 178.58 1bou h ALA 167 N 1.27 0.82 -0.89 2.41 0.00 -1.04 -2.25 119.26 119.58 1bou h ALA 167 Ca 0.16 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1bou h ALA 167 Cb 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1bou h ALA 167 CO -0.23 0.33 0.58 1.25 0.00 0.00 0.00 179.25 181.18 1bou h LEU 168 N 0.87 0.92 -0.99 0.00 5.85 -0.03 -1.67 115.31 120.28 1bou h LEU 168 Ca 0.22 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1bou h LEU 168 Cb 0.04 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 1bou h LEU 168 CO -0.04 0.62 0.64 1.23 -0.34 0.00 0.00 178.44 180.55 1bou h GLY 169 N 1.06 1.46 2.00 3.75 0.00 -0.59 -1.07 103.07 109.68 1bou h GLY 169 Ca 0.36 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 1bou h GLY 169 CO -0.12 0.39 -0.49 -1.80 0.00 0.00 0.00 176.54 174.52 1bou h ASP 170 N 1.22 0.00 -0.26 0.19 3.58 -0.82 -2.65 116.42 117.67 1bou h ASP 170 Ca 0.40 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.68 1bou h ASP 170 Cb 0.06 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 1bou h ASP 170 CO -0.14 0.49 -0.49 0.28 -2.88 0.00 0.00 179.24 176.50 1bou h SER 171 N 0.00 0.92 -0.45 2.28 0.02 -0.63 -2.71 113.55 112.99 1bou h SER 171 Ca -0.00 -0.47 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 1bou h SER 171 Cb 0.90 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1bou h SER 171 CO 0.06 1.25 0.12 0.40 -1.14 0.00 0.00 176.83 177.52 1bou h ILE 172 N 0.66 1.23 -0.73 3.27 2.04 -1.09 -1.95 117.51 120.95 1bou h ILE 172 Ca 0.03 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.13 1bou h ILE 172 Cb 1.08 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 1bou h ILE 172 CO 0.11 0.28 0.45 -0.09 0.00 0.00 0.00 178.15 178.90 1bou h ARG 173 N 0.59 0.85 -0.52 2.37 2.43 -1.45 -0.64 114.38 118.00 1bou h ARG 173 Ca 0.14 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1bou h ARG 173 Cb 0.31 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1bou h ARG 173 CO -0.00 0.56 0.26 0.00 -1.51 0.00 0.00 179.97 179.28 1bou h ALA 174 N 1.32 0.67 -0.61 2.80 0.00 -1.21 -0.29 119.26 121.94 1bou h ALA 174 Ca 0.30 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1bou h ALA 174 Cb 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1bou h ALA 174 CO -0.12 0.23 0.15 0.00 0.00 0.00 0.00 179.25 179.51 1bou h ALA 175 N 1.09 1.12 -0.25 0.00 0.00 -0.88 -2.06 119.26 118.27 1bou h ALA 175 Ca 0.18 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1bou h ALA 175 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1bou h ALA 175 CO -0.02 0.59 -0.06 0.28 0.00 0.00 0.00 179.25 180.04 1bou h VAL 176 N 0.91 1.28 -0.08 0.00 2.07 -0.76 -2.86 116.25 116.82 1bou h VAL 176 Ca 0.20 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 1bou h VAL 176 Cb 0.32 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1bou h VAL 176 CO -0.00 0.33 -0.13 -0.33 0.02 0.00 0.00 177.57 177.46 1bou h GLU 177 N 0.23 0.12 -0.01 1.57 5.08 -0.88 -1.58 114.58 119.12 1bou h GLU 177 Ca 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1bou h GLU 177 Cb 0.52 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1bou h GLU 177 CO 0.02 0.26 -0.02 -1.13 -1.00 0.00 0.00 179.01 177.14 1bou n SER 178 N -4.32 0.60 -4.69 1.42 3.41 -0.79 -4.80 113.62 104.45 1bou n SER 178 Ca -0.02 -1.08 -0.42 0.00 -0.26 0.00 0.00 58.87 57.10 1bou n SER 178 Cb 0.24 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1bou n SER 178 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1bou s PHE 179 N -2.10 3.30 0.12 7.33 5.36 -0.62 -4.97 117.98 126.40 1bou s PHE 179 Ca 0.41 1.33 -0.30 0.00 -0.96 0.00 0.00 56.93 57.41 1bou s PHE 179 Cb 0.21 -3.35 -0.10 0.00 -0.34 0.00 0.00 43.02 39.44 1bou s PHE 179 CO 0.38 -0.98 1.49 -1.00 -1.46 0.00 0.00 175.22 173.65 1bou h PRO 180 N 7.31 -0.37 -6.87 10.12 0.13 -1.88 -3.35 132.00 137.10 1bou h PRO 180 Ca -0.34 0.02 -0.56 0.00 -0.87 0.00 0.00 66.00 64.25 1bou h PRO 180 Cb 1.16 0.08 0.14 0.00 0.13 0.00 0.00 31.00 32.51 1bou h PRO 180 CO 0.87 -0.24 0.43 0.39 -0.23 0.00 0.00 178.00 179.21 1bou n GLU 181 N -5.11 1.65 -2.36 0.86 1.02 -1.26 -4.87 120.64 110.57 1bou n GLU 181 Ca -0.03 0.60 -0.43 0.00 -0.02 0.00 0.00 57.16 57.28 1bou n GLU 181 Cb 0.31 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 1bou n GLU 181 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1bou n ASP 182 N -0.23 5.07 -4.85 1.62 4.64 -1.26 -2.56 116.55 118.99 1bou n ASP 182 Ca 0.09 -3.10 -0.32 0.00 -1.38 0.00 0.00 54.79 50.08 1bou n ASP 182 Cb 0.42 -1.49 -0.05 0.00 -1.04 0.00 0.00 41.12 38.96 1bou n ASP 182 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1bou s LEU 183 N 0.01 3.93 -0.50 -2.67 2.01 -1.26 -4.81 118.68 115.38 1bou s LEU 183 Ca 0.40 1.37 -0.18 0.00 0.01 0.00 0.00 54.13 55.73 1bou s LEU 183 Cb 0.09 -4.22 0.06 0.00 0.01 0.00 0.00 46.19 42.13 1bou s LEU 183 CO 0.00 -0.33 0.58 0.21 1.01 0.00 0.00 176.35 177.82 1bou s ASN 184 N -2.54 6.21 -0.08 2.29 3.84 -1.26 -2.27 114.94 121.12 1bou s ASN 184 Ca 0.56 -1.01 -0.01 0.00 0.21 0.00 0.00 52.86 52.60 1bou s ASN 184 Cb -0.10 -2.27 -0.03 0.00 -0.55 0.00 0.00 41.25 38.30 1bou s ASN 184 CO 0.21 -0.84 -0.01 -0.69 -2.79 0.00 0.00 177.10 172.98 1bou s VAL 185 N 2.41 4.20 0.16 -5.21 1.01 0.10 -0.29 120.40 122.78 1bou s VAL 185 Ca 0.13 -0.29 0.10 0.00 0.00 0.00 0.00 61.98 61.92 1bou s VAL 185 Cb -0.20 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1bou s VAL 185 CO 0.11 0.60 -0.19 -1.00 0.00 0.00 0.00 175.10 174.62 1bou s HIS 186 N -0.84 2.45 -0.15 5.22 3.76 -0.87 -1.54 115.29 123.33 1bou s HIS 186 Ca 0.13 -0.30 0.01 0.00 -0.15 0.00 0.00 55.06 54.74 1bou s HIS 186 Cb -0.11 -1.24 0.02 0.00 1.11 0.00 0.00 32.58 32.35 1bou s HIS 186 CO 0.02 0.46 -0.15 0.08 -0.85 0.00 0.00 174.74 174.30 1bou s VAL 187 N -1.49 1.62 -0.20 -0.90 1.01 -1.03 -1.09 120.40 118.33 1bou s VAL 187 Ca 0.20 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1bou s VAL 187 Cb -0.09 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1bou s VAL 187 CO 0.11 0.47 0.02 0.26 0.00 0.00 0.00 175.10 175.95 1bou s TRP 188 N 1.43 3.08 -0.36 5.22 0.52 -0.53 -1.91 118.94 126.39 1bou s TRP 188 Ca 0.04 -0.34 -0.12 0.00 0.02 0.00 0.00 56.10 55.70 1bou s TRP 188 Cb -0.13 -2.09 0.01 0.00 -1.15 0.00 0.00 33.47 30.11 1bou s TRP 188 CO -0.10 -0.16 0.22 0.20 0.02 0.00 0.00 176.95 177.13 1bou s GLY 189 N 0.90 1.94 0.17 0.98 0.00 0.21 -0.73 107.32 110.79 1bou s GLY 189 Ca 0.02 -1.57 0.08 0.00 0.00 0.00 0.00 44.72 43.24 1bou s GLY 189 CO 0.02 0.81 -0.06 -0.51 0.00 0.00 0.00 173.10 173.37 1bou s THR 190 N 1.63 3.42 0.00 0.90 -4.23 -0.58 -2.27 115.64 114.52 1bou s THR 190 Ca 0.04 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1bou s THR 190 Cb -0.18 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1bou s THR 190 CO 0.08 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1bou n GLY 191 N 0.00 1.06 6.44 3.99 0.00 -0.25 -4.67 105.19 111.76 1bou n GLY 191 Ca -0.10 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.64 1bou n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bou n GLY 192 N -1.09 -1.84 0.00 -0.02 0.00 -1.26 -4.47 105.19 96.51 1bou n GLY 192 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1bou n GLY 192 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bou n MET 193 N -0.63 0.00 -1.74 1.61 0.00 -0.43 -4.71 117.12 111.23 1bou n MET 193 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 1bou n MET 193 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.22 1bou n MET 193 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1bou n SER 194 N 0.00 3.74 0.00 7.83 3.41 -1.26 -4.41 113.62 122.93 1bou n SER 194 Ca 0.00 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1bou n SER 194 Cb 0.00 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.37 1bou n SER 194 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bou n HIS 195 N 1.98 0.00 -3.85 7.33 1.44 0.22 -2.77 115.22 119.57 1bou n HIS 195 Ca 0.08 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.61 1bou n HIS 195 Cb 0.36 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.31 1bou n HIS 195 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1bou s GLN 196 N -2.00 0.25 -0.01 -1.40 0.74 -1.24 -2.33 119.66 113.66 1bou s GLN 196 Ca 0.00 0.14 0.22 0.00 0.05 0.00 0.00 55.36 55.77 1bou s GLN 196 Cb 0.00 -0.53 -0.30 0.00 1.10 0.00 0.00 33.01 33.28 1bou s GLN 196 CO 0.00 -0.19 0.52 1.28 -0.55 0.00 0.00 175.29 176.35 1bou n LEU 197 N 4.47 0.10 -4.80 3.68 4.77 -1.26 -2.06 117.00 121.90 1bou n LEU 197 Ca -0.20 0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.51 1bou n LEU 197 Cb 0.50 0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1bou n LEU 197 CO 0.18 0.01 -0.24 0.00 -1.33 0.00 0.00 177.39 176.01 1bou s GLN 198 N -3.44 3.02 2.30 3.23 -2.07 -1.26 -4.86 119.66 116.58 1bou s GLN 198 Ca -0.07 -0.60 0.00 0.00 -1.82 0.00 0.00 55.36 52.87 1bou s GLN 198 Cb 0.13 -2.81 0.00 0.00 -1.09 0.00 0.00 33.01 29.24 1bou s GLN 198 CO 0.89 0.59 0.00 0.41 -1.32 0.00 0.00 175.29 175.86 1bou n GLY 199 N 0.60 -0.34 0.29 2.60 0.00 -1.26 -3.07 105.19 104.02 1bou n GLY 199 Ca -0.09 -0.97 0.19 0.00 0.00 0.00 0.00 46.02 45.15 1bou n GLY 199 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1bou h PRO 200 N 0.00 0.00 -0.46 1.61 0.11 -2.01 -1.90 132.00 129.35 1bou h PRO 200 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1bou h PRO 200 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1bou h PRO 200 CO 0.00 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 175.66 1bou n ARG 201 N -2.91 2.54 -1.73 1.05 0.63 -1.26 -4.96 116.66 110.03 1bou n ARG 201 Ca -0.02 -2.36 -0.37 0.00 -0.92 0.00 0.00 57.85 54.18 1bou n ARG 201 Cb 0.12 -1.52 0.06 0.00 0.45 0.00 0.00 32.46 31.58 1bou n ARG 201 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bou n ALA 202 N 1.51 1.26 0.00 5.13 0.00 -0.72 -2.71 120.51 124.98 1bou n ALA 202 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1bou n ALA 202 Cb 0.61 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1bou n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bou n GLY 203 N 0.88 0.10 3.73 0.00 0.00 -0.87 -4.99 105.19 104.05 1bou n GLY 203 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1bou n GLY 203 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bou s LEU 204 N 0.00 4.36 -0.02 0.99 0.20 -1.10 -4.89 118.68 118.22 1bou s LEU 204 Ca 0.00 2.92 0.01 0.00 0.69 0.00 0.00 54.13 57.74 1bou s LEU 204 Cb 0.00 -3.62 0.01 0.00 -0.43 0.00 0.00 46.19 42.16 1bou s LEU 204 CO 0.00 -0.96 -0.02 -0.63 -0.29 0.00 0.00 176.35 174.46 1bou s ILE 205 N 0.66 0.24 -0.54 6.68 -1.09 -1.26 -3.67 121.20 122.22 1bou s ILE 205 Ca 0.70 -0.04 0.04 0.00 -2.23 0.00 0.00 60.65 59.12 1bou s ILE 205 Cb -0.49 -0.27 0.16 0.00 -1.58 0.00 0.00 42.46 40.28 1bou s ILE 205 CO 0.39 0.12 0.38 0.21 -1.23 0.00 0.00 174.94 174.80 1bou s ASN 206 N 0.47 3.40 0.49 3.58 3.84 -1.26 -4.95 114.94 120.51 1bou s ASN 206 Ca -0.05 -3.27 0.14 0.00 0.21 0.00 0.00 52.86 49.89 1bou s ASN 206 Cb -0.08 -1.09 1.15 0.00 -0.55 0.00 0.00 41.25 40.69 1bou s ASN 206 CO -0.01 -0.16 2.11 0.07 -2.79 0.00 0.00 177.10 176.33 1bou h LYS 207 N 5.83 0.16 -0.25 0.43 2.10 -1.98 -0.73 116.57 122.13 1bou h LYS 207 Ca 0.14 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.76 1bou h LYS 207 Cb 0.85 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.13 1bou h LYS 207 CO 0.54 0.11 0.08 1.49 -2.00 0.00 0.00 179.45 179.68 1bou h GLU 208 N 0.17 0.39 0.07 0.07 4.81 -1.99 -1.08 114.58 117.02 1bou h GLU 208 Ca 0.06 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1bou h GLU 208 Cb 0.04 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1bou h GLU 208 CO -0.01 0.46 -0.03 0.35 -0.73 0.00 0.00 179.01 179.04 1bou h PHE 209 N 0.25 -0.09 0.01 0.92 3.57 -1.64 -2.22 116.94 117.74 1bou h PHE 209 Ca 0.08 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1bou h PHE 209 Cb 0.22 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1bou h PHE 209 CO 0.00 0.02 -0.23 -0.44 -2.23 0.00 0.00 178.31 175.44 1bou h ASP 210 N -0.18 -0.66 -0.64 0.41 3.45 -1.08 0.11 116.42 117.83 1bou h ASP 210 Ca -0.01 0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.50 1bou h ASP 210 Cb 0.15 0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 39.16 1bou h ASP 210 CO 0.02 -0.30 0.26 -0.07 -1.57 0.00 0.00 179.24 177.58 1bou h LEU 211 N -0.36 0.91 -0.63 1.55 3.38 -1.22 -1.71 115.31 117.22 1bou h LEU 211 Ca 0.06 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1bou h LEU 211 Cb 0.44 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1bou h LEU 211 CO -0.19 0.82 0.05 -1.13 0.09 0.00 0.00 178.44 178.07 1bou h ASN 212 N 0.97 1.05 -0.08 -0.43 -1.24 -1.01 -1.79 115.58 113.05 1bou h ASN 212 Ca 0.23 -0.29 0.01 0.00 0.71 0.00 0.00 56.30 56.95 1bou h ASN 212 Cb 0.20 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 1bou h ASN 212 CO -0.02 1.08 0.03 0.15 -1.29 0.00 0.00 177.43 177.38 1bou h PHE 213 N 0.99 0.06 -0.46 0.67 3.57 -0.20 0.25 116.94 121.83 1bou h PHE 213 Ca 0.18 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.72 1bou h PHE 213 Cb 0.51 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1bou h PHE 213 CO 0.04 0.03 0.24 0.82 -2.23 0.00 0.00 178.31 177.21 1bou h ILE 214 N 0.07 0.98 -0.02 1.41 2.04 -1.22 0.19 117.51 120.96 1bou h ILE 214 Ca 0.03 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.75 1bou h ILE 214 Cb 0.01 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1bou h ILE 214 CO -0.03 0.09 -0.11 -0.78 0.00 0.00 0.00 178.15 177.32 1bou h ASP 215 N 0.48 -0.32 0.64 1.72 3.58 -0.91 -2.15 116.42 119.46 1bou h ASP 215 Ca 0.19 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.57 1bou h ASP 215 Cb 0.08 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1bou h ASP 215 CO -0.13 -0.15 -0.60 0.11 -2.88 0.00 0.00 179.24 175.59 1bou h LYS 216 N -0.17 0.00 -0.37 0.28 1.79 -0.71 -2.57 116.57 114.81 1bou h LYS 216 Ca 0.05 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 1bou h LYS 216 Cb 0.24 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 1bou h LYS 216 CO -0.13 0.60 0.14 1.25 -1.08 0.00 0.00 179.45 180.23 1bou h LEU 217 N 0.00 0.47 0.05 2.94 5.85 -0.28 0.31 115.31 124.65 1bou h LEU 217 Ca -0.01 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1bou h LEU 217 Cb 1.08 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1bou h LEU 217 CO 0.08 0.44 -0.02 0.40 -0.34 0.00 0.00 178.44 178.99 1bou h ILE 218 N 0.52 1.03 0.03 4.05 2.04 -1.18 -3.37 117.51 120.64 1bou h ILE 218 Ca 0.13 -1.59 -0.32 0.00 1.00 0.00 0.00 64.86 64.08 1bou h ILE 218 Cb 0.12 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 1bou h ILE 218 CO -0.01 0.32 -1.86 -1.54 0.00 0.00 0.00 178.15 175.06 1bou n SER 219 N -4.76 1.19 -3.15 1.72 3.41 -0.99 -4.70 113.62 106.33 1bou n SER 219 Ca -0.07 0.32 -0.20 0.00 -0.26 0.00 0.00 58.87 58.66 1bou n SER 219 Cb 0.28 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1bou n SER 219 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1bou n ASP 220 N -3.15 1.44 -0.17 4.04 -0.08 0.10 -4.95 116.55 113.78 1bou n ASP 220 Ca -0.23 -3.11 0.04 0.00 -1.51 0.00 0.00 54.79 49.99 1bou n ASP 220 Cb 1.06 -0.61 0.32 0.00 2.34 0.00 0.00 41.12 44.23 1bou n ASP 220 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1bou h PRO 221 N 3.08 0.80 -0.76 -0.67 0.13 -1.54 -2.39 132.00 130.66 1bou h PRO 221 Ca 0.10 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.20 1bou h PRO 221 Cb 0.88 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 31.79 1bou h PRO 221 CO 0.56 0.53 0.50 1.49 -0.23 0.00 0.00 178.00 180.84 1bou h GLU 222 N 0.82 0.97 0.04 0.86 4.81 -1.92 0.05 114.58 120.20 1bou h GLU 222 Ca 0.28 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.22 1bou h GLU 222 Cb 0.10 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1bou h GLU 222 CO -0.08 0.64 -1.01 1.49 -0.73 0.00 0.00 179.01 179.32 1bou h GLU 223 N 1.00 0.35 -0.14 1.92 4.22 -1.83 -3.20 114.58 116.90 1bou h GLU 223 Ca 0.28 -0.43 -0.07 0.00 0.08 0.00 0.00 59.36 59.23 1bou h GLU 223 Cb -0.07 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1bou h GLU 223 CO -0.07 1.12 -0.23 1.25 -2.18 0.00 0.00 179.01 178.90 1bou h LEU 224 N 0.18 0.25 0.00 1.64 5.85 -0.91 -2.34 115.31 119.97 1bou h LEU 224 Ca -0.09 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1bou h LEU 224 Cb 1.67 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.63 1bou h LEU 224 CO 0.17 0.49 0.00 -1.54 -0.34 0.00 0.00 178.44 177.22 1bou n SER 225 N -4.18 0.00 0.09 1.25 3.41 -0.06 -1.96 113.62 112.18 1bou n SER 225 Ca -0.01 0.16 0.12 0.00 -0.26 0.00 0.00 58.87 58.88 1bou n SER 225 Cb 0.35 -0.34 0.10 0.00 -0.26 0.00 0.00 64.21 64.06 1bou n SER 225 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1bou h LYS 226 N 0.00 0.00 -6.40 4.33 1.57 -1.51 -1.22 116.57 113.34 1bou h LYS 226 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1bou h LYS 226 Cb 0.20 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.55 1bou h LYS 226 CO 0.00 0.00 1.03 -0.12 -0.57 0.00 0.00 179.45 179.79 1bou n MET 227 N -2.43 2.38 -1.99 3.15 1.56 -0.83 -4.95 117.12 114.01 1bou n MET 227 Ca 0.02 0.87 -0.32 0.00 -0.27 0.00 0.00 57.70 58.00 1bou n MET 227 Cb 0.49 -2.71 0.01 0.00 2.15 0.00 0.00 33.22 33.16 1bou n MET 227 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1bou s PRO 228 N 2.95 3.40 0.19 2.12 0.04 -1.26 -4.52 135.00 137.92 1bou s PRO 228 Ca 0.86 1.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.82 1bou s PRO 228 Cb -0.62 -2.05 0.22 0.00 0.04 0.00 0.00 34.50 32.10 1bou s PRO 228 CO 0.44 -0.73 1.70 0.45 0.04 0.00 0.00 177.00 178.90 1bou h HIS 229 N 0.18 0.11 -0.91 0.56 3.86 -1.97 -1.77 115.15 115.21 1bou h HIS 229 Ca -0.46 0.03 0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1bou h HIS 229 Cb 1.21 0.03 -0.07 0.00 1.06 0.00 0.00 27.41 29.64 1bou h HIS 229 CO 0.61 -0.05 0.60 0.97 0.86 0.00 0.00 177.93 180.93 1bou h ILE 230 N 0.20 0.66 -0.15 2.45 6.09 -1.99 0.20 117.51 124.96 1bou h ILE 230 Ca 0.27 -0.14 -0.12 0.00 -1.37 0.00 0.00 64.86 63.50 1bou h ILE 230 Cb 0.39 0.23 -0.01 0.00 0.47 0.00 0.00 36.82 37.90 1bou h ILE 230 CO -0.38 0.07 -0.44 -0.61 -3.07 0.00 0.00 178.15 173.72 1bou h GLN 231 N 0.40 0.37 0.21 2.19 4.15 -1.70 -0.52 115.11 120.21 1bou h GLN 231 Ca 0.48 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 1bou h GLN 231 Cb 1.21 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1bou h GLN 231 CO -0.18 0.75 -0.10 1.88 -1.93 0.00 0.00 178.83 179.25 1bou h TYR 232 N 0.31 -0.26 -0.19 3.99 0.05 -0.97 -2.16 116.97 117.74 1bou h TYR 232 Ca 0.02 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.83 1bou h TYR 232 Cb 0.90 0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.70 1bou h TYR 232 CO 0.02 0.06 -0.01 -0.07 -1.05 0.00 0.00 178.16 177.11 1bou h LEU 233 N -0.59 -0.10 0.22 3.88 4.07 -1.30 0.58 115.31 122.08 1bou h LEU 233 Ca -0.03 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1bou h LEU 233 Cb 0.43 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1bou h LEU 233 CO 0.05 -0.02 -0.10 -0.09 -1.08 0.00 0.00 178.44 177.19 1bou h ARG 234 N 0.05 -0.28 0.09 1.13 2.43 -1.16 -2.92 114.38 113.72 1bou h ARG 234 Ca 0.09 0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 1bou h ARG 234 Cb 0.12 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1bou h ARG 234 CO -0.16 -0.08 -0.69 1.49 -1.51 0.00 0.00 179.97 179.03 1bou h GLU 235 N -0.43 0.19 -0.38 0.20 4.57 -1.32 -3.39 114.58 114.02 1bou h GLU 235 Ca -0.03 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 1bou h GLU 235 Cb 0.33 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1bou h GLU 235 CO 0.05 1.16 0.00 -1.13 -1.18 0.00 0.00 179.01 177.91 1bou n SER 236 N -4.25 3.42 0.00 1.04 3.41 0.20 -4.62 113.62 112.82 1bou n SER 236 Ca -0.15 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1bou n SER 236 Cb 0.73 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1bou n SER 236 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bou n GLY 237 N 1.50 1.25 0.35 5.00 0.00 -1.10 -0.61 105.19 111.59 1bou n GLY 237 Ca 0.19 -1.71 0.09 0.00 0.00 0.00 0.00 46.02 44.60 1bou n GLY 237 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bou h SER 238 N 0.00 0.50 0.54 1.61 4.64 -1.67 -1.59 113.55 117.57 1bou h SER 238 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1bou h SER 238 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1bou h SER 238 CO 0.00 0.31 -0.52 -0.62 -0.87 0.00 0.00 176.83 175.13 1bou n GLU 239 N -4.48 0.04 0.05 4.77 4.71 -1.09 -3.88 120.64 120.76 1bou n GLU 239 Ca 0.10 0.01 0.06 0.00 -0.01 0.00 0.00 57.16 57.32 1bou n GLU 239 Cb 0.30 -1.52 0.29 0.00 -1.01 0.00 0.00 31.44 29.51 1bou n GLU 239 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bou n GLY 240 N 1.48 -0.89 0.08 0.62 0.00 -0.60 -2.65 105.19 103.24 1bou n GLY 240 Ca 0.05 0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.16 1bou n GLY 240 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bou n VAL 241 N -1.75 1.48 0.27 1.61 3.14 -1.25 -1.88 118.33 119.95 1bou n VAL 241 Ca 0.02 0.61 0.16 0.00 -2.96 0.00 0.00 64.34 62.17 1bou n VAL 241 Cb 0.11 -1.61 0.90 0.00 -1.06 0.00 0.00 33.84 32.19 1bou n VAL 241 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1bou h GLU 242 N 0.00 0.00 0.00 1.45 5.08 -1.83 -2.21 114.58 117.07 1bou h GLU 242 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bou h GLU 242 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1bou h GLU 242 CO 0.00 0.00 0.05 -0.07 -1.00 0.00 0.00 179.01 177.99 1bou h LEU 243 N 0.00 0.00 -1.86 1.33 3.38 -1.67 -1.64 115.31 114.85 1bou h LEU 243 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1bou h LEU 243 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1bou h LEU 243 CO -0.00 0.00 -0.12 -0.37 0.09 0.00 0.00 178.44 178.04 1bou h VAL 244 N 0.00 0.91 0.00 1.22 -1.51 -1.66 -1.76 116.25 113.44 1bou h VAL 244 Ca 0.00 -0.45 -0.03 0.00 -1.23 0.00 0.00 66.70 64.99 1bou h VAL 244 Cb 0.10 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1bou h VAL 244 CO 0.00 0.12 -0.13 0.24 -1.23 0.00 0.00 177.57 176.57 1bou h MET 245 N 0.00 0.00 0.00 5.19 2.86 -1.54 -1.99 114.93 119.45 1bou h MET 245 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1bou h MET 245 Cb 0.24 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 1bou h MET 245 CO 0.02 0.13 -0.02 -1.49 1.06 0.00 0.00 176.91 176.61 1bou h TRP 246 N 0.00 0.00 0.00 -0.22 4.06 -1.50 -2.06 115.95 116.23 1bou h TRP 246 Ca -0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.87 1bou h TRP 246 Cb 0.42 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 1bou h TRP 246 CO 0.00 0.02 -0.35 -0.07 -3.56 0.00 0.00 178.44 174.48 1bou h LEU 247 N 0.00 0.00 -0.20 -4.49 3.38 -1.48 -1.69 115.31 110.83 1bou h LEU 247 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1bou h LEU 247 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1bou h LEU 247 CO 0.00 0.35 -0.15 0.40 0.09 0.00 0.00 178.44 179.14 1bou h ILE 248 N 0.00 1.32 -0.02 1.22 2.04 -1.49 0.09 117.51 120.67 1bou h ILE 248 Ca -0.00 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.59 1bou h ILE 248 Cb 0.97 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1bou h ILE 248 CO 0.05 0.39 0.01 -0.03 0.00 0.00 0.00 178.15 178.56 1bou h MET 249 N 0.13 0.03 -0.68 2.37 4.05 -1.55 -2.87 114.93 116.41 1bou h MET 249 Ca 0.04 -0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.51 1bou h MET 249 Cb 0.67 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.41 1bou h MET 249 CO 0.04 0.12 0.38 -0.09 0.23 0.00 0.00 176.91 177.59 1bou h ARG 250 N -0.07 0.69 0.00 0.39 9.65 -1.24 -1.44 114.38 122.37 1bou h ARG 250 Ca 0.01 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1bou h ARG 250 Cb 0.10 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1bou h ARG 250 CO -0.00 0.46 0.00 0.78 2.80 0.00 0.00 179.97 184.00 1bou h GLY 251 N 0.71 0.00 1.47 2.80 0.00 -0.82 -0.66 103.07 106.56 1bou h GLY 251 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1bou h GLY 251 CO -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 176.54 176.16 1bou n ALA 252 N -1.88 2.85 -2.87 3.60 0.00 -0.54 -2.18 120.51 119.48 1bou n ALA 252 Ca -0.00 -0.22 -0.28 0.00 0.00 0.00 0.00 53.44 52.94 1bou n ALA 252 Cb 0.15 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 1bou n ALA 252 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bou s LEU 253 N -2.92 4.10 1.19 0.00 1.43 -0.26 -4.73 118.68 117.50 1bou s LEU 253 Ca 0.15 0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 53.15 1bou s LEU 253 Cb 0.19 -2.70 0.28 0.00 0.03 0.00 0.00 46.19 43.98 1bou s LEU 253 CO 0.58 0.10 1.07 -2.16 0.23 0.00 0.00 176.35 176.17 1bou s PRO 254 N -2.93 -1.11 0.16 1.29 0.04 -1.26 -4.94 135.00 126.24 1bou s PRO 254 Ca 0.33 0.17 -0.16 0.00 0.04 0.00 0.00 61.00 61.38 1bou s PRO 254 Cb -0.11 -1.59 0.08 0.00 0.04 0.00 0.00 34.50 32.92 1bou s PRO 254 CO 0.26 -3.69 1.74 1.49 0.04 0.00 0.00 177.00 176.84 1bou h GLU 255 N -2.57 0.23 -5.08 4.56 4.81 -1.98 -3.38 114.58 111.17 1bou h GLU 255 Ca -0.49 -0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.08 1bou h GLU 255 Cb 1.31 -0.05 -0.16 0.00 0.63 0.00 0.00 28.75 30.49 1bou h GLU 255 CO 0.40 0.15 -0.23 0.15 -0.73 0.00 0.00 179.01 178.76 1bou s LYS 256 N -6.16 3.75 0.16 1.92 -0.14 -1.26 -4.97 119.74 113.03 1bou s LYS 256 Ca -0.13 -0.20 0.07 0.00 -1.36 0.00 0.00 55.97 54.35 1bou s LYS 256 Cb 0.12 -3.75 -0.04 0.00 -1.68 0.00 0.00 37.83 32.49 1bou s LYS 256 CO 0.71 -0.45 -0.15 0.14 -0.76 0.00 0.00 175.35 174.84 1bou s VAL 257 N 2.10 1.57 -0.13 3.17 -7.23 -1.26 -0.91 120.40 117.72 1bou s VAL 257 Ca 0.14 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1bou s VAL 257 Cb -0.16 -1.77 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 1bou s VAL 257 CO 0.11 -0.44 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.71 1bou s ARG 258 N -2.98 3.31 -0.39 4.82 3.52 0.86 -4.63 118.95 123.46 1bou s ARG 258 Ca 0.15 -0.73 -0.22 0.00 -0.13 0.00 0.00 55.73 54.79 1bou s ARG 258 Cb -0.04 -2.57 0.01 0.00 -1.56 0.00 0.00 34.95 30.79 1bou s ARG 258 CO 0.05 0.19 0.75 0.16 -0.81 0.00 0.00 175.30 175.63 1bou s ASP 259 N 0.40 6.47 0.16 -2.12 3.84 -1.26 -2.07 116.67 122.08 1bou s ASP 259 Ca -0.12 0.13 0.10 0.00 -0.00 0.00 0.00 52.55 52.66 1bou s ASP 259 Cb -0.16 -2.37 -0.13 0.00 -1.38 0.00 0.00 42.92 38.87 1bou s ASP 259 CO 0.06 -0.76 1.29 -0.07 -0.00 0.00 0.00 175.17 175.68 1bou h LEU 260 N 9.79 0.00 -7.00 2.11 3.38 -1.47 -3.46 115.31 118.66 1bou h LEU 260 Ca -0.25 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1bou h LEU 260 Cb 1.09 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.62 1bou h LEU 260 CO 0.91 0.84 0.32 -0.47 0.09 0.00 0.00 178.44 180.13 1bou s TYR 261 N -2.78 -0.59 -0.07 1.13 6.14 -1.23 -1.16 117.35 118.79 1bou s TYR 261 Ca 0.01 1.27 -0.03 0.00 0.64 0.00 0.00 57.07 58.96 1bou s TYR 261 Cb 0.09 0.36 0.04 0.00 0.42 0.00 0.00 41.96 42.87 1bou s TYR 261 CO 0.80 -0.38 0.16 0.99 0.64 0.00 0.00 175.55 177.75 1bou s THR 262 N -0.32 -0.05 -0.08 4.34 2.01 -0.42 -1.30 115.64 119.83 1bou s THR 262 Ca -0.02 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1bou s THR 262 Cb -0.03 -0.26 0.01 0.00 0.01 0.00 0.00 72.50 72.24 1bou s THR 262 CO 0.01 0.07 -0.15 0.12 -0.69 0.00 0.00 174.62 173.98 1bou s PHE 263 N 1.20 1.80 -0.05 4.92 5.99 0.23 -0.80 117.98 131.27 1bou s PHE 263 Ca -0.09 -0.74 0.02 0.00 0.00 0.00 0.00 56.93 56.11 1bou s PHE 263 Cb -0.11 -1.29 0.02 0.00 0.00 0.00 0.00 43.02 41.63 1bou s PHE 263 CO -0.06 -0.36 -0.07 -0.47 -0.00 0.00 0.00 175.22 174.25 1bou s TYR 264 N 0.72 0.99 -0.08 10.12 6.14 -0.30 -1.26 117.35 133.68 1bou s TYR 264 Ca -0.13 -0.32 -0.09 0.00 0.64 0.00 0.00 57.07 57.17 1bou s TYR 264 Cb -0.16 -0.80 0.02 0.00 0.42 0.00 0.00 41.96 41.45 1bou s TYR 264 CO 0.03 -0.21 0.25 -1.58 0.64 0.00 0.00 175.55 174.68 1bou s HIS 265 N 0.77 -0.23 -0.05 4.97 2.46 0.22 -0.85 115.29 122.58 1bou s HIS 265 Ca -0.12 0.55 0.01 0.00 0.47 0.00 0.00 55.06 55.97 1bou s HIS 265 Cb -0.15 0.08 0.02 0.00 -0.13 0.00 0.00 32.58 32.41 1bou s HIS 265 CO 0.02 -0.18 -0.04 0.42 -2.47 0.00 0.00 174.74 172.49 1bou s ILE 266 N -0.17 0.52 0.38 0.89 1.01 -1.11 0.26 121.20 122.97 1bou s ILE 266 Ca -0.03 -0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.61 1bou s ILE 266 Cb -0.03 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.85 1bou s ILE 266 CO 0.01 0.23 0.28 -2.16 0.00 0.00 0.00 174.94 173.30 1bou s PRO 267 N 1.07 2.49 -0.34 2.79 0.04 -1.26 -3.79 135.00 136.00 1bou s PRO 267 Ca -0.09 -1.54 -0.01 0.00 0.04 0.00 0.00 61.00 59.41 1bou s PRO 267 Cb -0.14 -2.30 0.12 0.00 0.04 0.00 0.00 34.50 32.22 1bou s PRO 267 CO -0.01 -0.06 0.17 0.00 0.04 0.00 0.00 177.00 177.14 1bou s ALA 268 N -2.45 1.22 0.00 8.56 0.00 -0.46 -4.96 121.76 123.66 1bou s ALA 268 Ca 0.43 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1bou s ALA 268 Cb -0.02 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.49 1bou s ALA 268 CO 0.26 -1.88 0.00 0.45 0.00 0.00 0.00 175.76 174.59 1bou n SER 269 N 4.45 0.00 -0.96 0.00 2.88 -1.26 -1.29 113.62 117.45 1bou n SER 269 Ca 0.03 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.69 1bou n SER 269 Cb 0.39 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.05 1bou n SER 269 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1bou n ASN 270 N 9.80 2.94 -4.79 -3.46 3.02 -1.26 -5.01 115.26 116.50 1bou n ASN 270 Ca 0.00 -1.93 -0.28 0.00 -0.03 0.00 0.00 54.58 52.34 1bou n ASN 270 Cb 0.00 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.02 1bou n ASN 270 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1bou s THR 271 N -1.81 1.71 -0.22 3.41 -4.23 -0.41 -4.50 115.64 109.59 1bou s THR 271 Ca 0.33 -1.75 -0.06 0.00 -1.18 0.00 0.00 61.69 59.03 1bou s THR 271 Cb 0.21 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1bou s THR 271 CO 0.31 0.00 0.03 0.00 -0.54 0.00 0.00 174.62 174.42 1bou s ALA 272 N -2.75 3.12 -0.14 3.99 0.00 -1.12 -1.36 121.76 123.51 1bou s ALA 272 Ca 0.27 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 1bou s ALA 272 Cb 0.02 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 1bou s ALA 272 CO 0.15 -0.23 0.19 -1.17 0.00 0.00 0.00 175.76 174.71 1bou s LEU 273 N 1.14 4.32 0.05 0.00 0.20 0.14 -1.31 118.68 123.22 1bou s LEU 273 Ca 0.03 0.46 0.03 0.00 0.69 0.00 0.00 54.13 55.35 1bou s LEU 273 Cb -0.14 -2.19 -0.03 0.00 -0.43 0.00 0.00 46.19 43.40 1bou s LEU 273 CO 0.02 0.28 -0.09 -0.83 -0.29 0.00 0.00 176.35 175.44 1bou s GLY 274 N -0.37 0.58 -0.24 7.98 0.00 -1.26 -0.61 107.32 113.40 1bou s GLY 274 Ca 0.14 -0.82 -0.22 0.00 0.00 0.00 0.00 44.72 43.82 1bou s GLY 274 CO 0.03 -0.87 0.65 0.00 0.00 0.00 0.00 173.10 172.92 1bou s ALA 275 N -1.38 -1.61 0.20 3.20 0.00 -0.39 -3.15 121.76 118.63 1bou s ALA 275 Ca -0.08 1.84 -0.18 0.00 0.00 0.00 0.00 51.96 53.54 1bou s ALA 275 Cb -0.10 -1.07 0.03 0.00 0.00 0.00 0.00 23.12 21.98 1bou s ALA 275 CO 0.01 -0.31 0.53 0.00 0.00 0.00 0.00 175.76 175.99 1bou s MET 276 N 0.36 1.39 -0.12 0.00 0.23 -0.88 -0.60 119.30 119.69 1bou s MET 276 Ca -0.00 -0.86 0.02 0.00 -1.03 0.00 0.00 55.69 53.82 1bou s MET 276 Cb -0.05 0.53 0.01 0.00 -1.53 0.00 0.00 34.83 33.79 1bou s MET 276 CO 0.01 -0.59 -0.17 0.42 -2.03 0.00 0.00 175.02 172.66 1bou s ILE 277 N -3.87 1.61 0.03 3.16 1.01 -0.42 -1.78 121.20 120.94 1bou s ILE 277 Ca 0.09 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1bou s ILE 277 Cb -0.01 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1bou s ILE 277 CO -0.03 0.46 -0.18 -0.76 0.00 0.00 0.00 174.94 174.43 1bou s LEU 278 N 0.97 2.14 0.03 2.97 1.43 0.20 -1.10 118.68 125.32 1bou s LEU 278 Ca -0.06 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1bou s LEU 278 Cb -0.15 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 1bou s LEU 278 CO -0.02 0.14 0.00 -1.10 0.23 0.00 0.00 176.35 175.60 1bou s GLN 279 N -1.00 0.43 0.25 1.70 -0.21 -0.88 0.47 119.66 120.42 1bou s GLN 279 Ca 0.06 -0.74 -0.31 0.00 0.02 0.00 0.00 55.36 54.40 1bou s GLN 279 Cb -0.08 0.16 -0.11 0.00 1.00 0.00 0.00 33.01 33.98 1bou s GLN 279 CO 0.01 -0.08 1.57 -2.14 -2.12 0.00 0.00 175.29 172.53 1bou s PRO 280 N -2.12 4.17 0.29 2.91 0.02 -1.26 -0.09 135.00 138.92 1bou s PRO 280 Ca -0.10 2.48 0.03 0.00 0.02 0.00 0.00 61.00 63.43 1bou s PRO 280 Cb -0.05 -3.07 0.71 0.00 0.02 0.00 0.00 34.50 32.11 1bou s PRO 280 CO -0.03 -0.59 1.68 1.49 -0.33 0.00 0.00 177.00 179.22 1bou h GLU 281 N 5.51 0.31 -0.98 5.54 4.81 -1.28 0.69 114.58 129.18 1bou h GLU 281 Ca -0.45 -0.02 0.20 0.00 -0.13 0.00 0.00 59.36 58.95 1bou h GLU 281 Cb 1.21 -0.07 -0.11 0.00 0.63 0.00 0.00 28.75 30.41 1bou h GLU 281 CO 0.83 0.21 0.57 0.93 -0.73 0.00 0.00 179.01 180.83 1bou h GLU 282 N 0.32 0.68 0.00 1.92 5.08 -1.89 -2.93 114.58 117.76 1bou h GLU 282 Ca 0.55 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1bou h GLU 282 Cb 1.07 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1bou h GLU 282 CO -0.57 0.45 0.00 0.25 -1.00 0.00 0.00 179.01 178.14 1bou n THR 283 N -4.82 0.51 -0.78 1.13 -2.24 -0.47 -5.07 114.28 102.54 1bou n THR 283 Ca 0.23 -0.70 -0.33 0.00 -2.27 0.00 0.00 64.05 60.98 1bou n THR 283 Cb 0.59 0.79 0.13 0.00 -2.10 0.00 0.00 70.33 69.74 1bou n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bou n ALA 284 N -0.26 -2.85 -2.52 6.98 0.00 0.23 -4.91 120.51 117.18 1bou n ALA 284 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1bou n ALA 284 Cb 0.18 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1bou n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bou n GLY 285 N 1.60 2.34 3.75 0.00 0.00 -1.26 -5.03 105.19 106.59 1bou n GLY 285 Ca 0.06 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 1bou n GLY 285 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bou s THR 286 N 1.44 4.65 0.95 2.61 2.01 -1.26 -5.00 115.64 121.04 1bou s THR 286 Ca 0.00 1.66 -0.11 0.00 0.31 0.00 0.00 61.69 63.55 1bou s THR 286 Cb 0.00 -4.13 0.16 0.00 0.01 0.00 0.00 72.50 68.55 1bou s THR 286 CO 0.00 0.40 1.11 -2.84 -0.69 0.00 0.00 174.62 172.59 1bou s PRO 287 N -0.28 0.77 0.58 4.92 0.02 -1.26 -4.95 135.00 134.80 1bou s PRO 287 Ca 0.38 1.26 -0.06 0.00 0.02 0.00 0.00 61.00 62.60 1bou s PRO 287 Cb -0.21 -1.72 0.01 0.00 0.02 0.00 0.00 34.50 32.59 1bou s PRO 287 CO 0.24 -2.70 0.89 -0.51 -0.33 0.00 0.00 177.00 174.58 1bou s LEU 288 N -6.61 3.27 -0.26 -5.54 1.43 -0.31 -4.99 118.68 105.66 1bou s LEU 288 Ca 0.66 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 54.49 1bou s LEU 288 Cb -0.22 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.51 1bou s LEU 288 CO 0.59 -1.03 -0.11 -1.61 0.23 0.00 0.00 176.35 174.42 1bou s GLU 289 N -4.96 2.31 0.65 1.70 0.41 -1.26 -1.78 118.70 115.76 1bou s GLU 289 Ca 0.53 -1.31 -0.11 0.00 -0.41 0.00 0.00 54.97 53.67 1bou s GLU 289 Cb -0.10 -2.89 -0.02 0.00 -1.78 0.00 0.00 34.13 29.33 1bou s GLU 289 CO 0.45 -0.55 1.04 -1.25 -0.49 0.00 0.00 175.26 174.46 1bou s PRO 290 N 1.12 3.32 0.10 0.39 0.04 -1.26 -5.12 135.00 133.60 1bou s PRO 290 Ca -0.08 0.87 -0.02 0.00 0.04 0.00 0.00 61.00 61.81 1bou s PRO 290 Cb -0.20 -2.04 -0.21 0.00 0.04 0.00 0.00 34.50 32.10 1bou s PRO 290 CO -0.05 -0.80 1.22 -0.09 0.04 0.00 0.00 177.00 177.32 1bou h ARG 291 N -0.39 0.25 -4.75 4.56 2.43 -1.65 -3.46 114.38 111.38 1bou h ARG 291 Ca -0.44 -0.37 -0.44 0.00 -0.81 0.00 0.00 59.98 57.92 1bou h ARG 291 Cb 1.20 0.13 -0.30 0.00 -0.42 0.00 0.00 29.97 30.58 1bou h ARG 291 CO 0.59 1.14 -0.79 0.15 -1.51 0.00 0.00 179.97 179.55 1bou s LYS 292 N -2.83 1.00 -0.05 0.20 1.02 -1.26 -1.29 119.74 116.52 1bou s LYS 292 Ca -0.03 -0.35 0.01 0.00 0.02 0.00 0.00 55.97 55.61 1bou s LYS 292 Cb 0.08 -0.93 0.02 0.00 -0.52 0.00 0.00 37.83 36.48 1bou s LYS 292 CO 0.87 0.16 -0.05 0.08 -0.92 0.00 0.00 175.35 175.49 1bou s VAL 293 N 0.05 0.60 -0.30 3.17 1.01 0.02 -4.98 120.40 119.97 1bou s VAL 293 Ca -0.01 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1bou s VAL 293 Cb -0.07 -0.63 0.09 0.00 0.00 0.00 0.00 36.38 35.77 1bou s VAL 293 CO 0.00 0.25 0.04 -0.04 0.00 0.00 0.00 175.10 175.35 1bou s MET 294 N 1.03 1.19 0.46 2.72 1.00 -1.26 -1.16 119.30 123.28 1bou s MET 294 Ca -0.09 -1.28 0.07 0.00 0.00 0.00 0.00 55.69 54.39 1bou s MET 294 Cb -0.14 -2.53 0.00 0.00 0.00 0.00 0.00 34.83 32.16 1bou s MET 294 CO -0.00 -0.86 0.44 -1.54 0.00 0.00 0.00 175.02 173.06 1bou s SER 295 N 1.34 5.01 0.00 3.03 1.04 -0.03 -4.86 113.70 119.23 1bou s SER 295 Ca 0.06 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1bou s SER 295 Cb -0.18 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.66 1bou s SER 295 CO -0.14 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1bou n GLY 296 N -1.69 3.59 0.31 7.32 0.00 -1.26 -2.76 105.19 110.71 1bou n GLY 296 Ca 0.04 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.51 1bou n GLY 296 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1bou h HIS 297 N 0.00 0.24 -0.21 1.61 3.86 -1.99 -1.13 115.15 117.54 1bou h HIS 297 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1bou h HIS 297 Cb 0.00 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1bou h HIS 297 CO 0.00 0.14 0.00 -1.13 0.86 0.00 0.00 177.93 177.80 1bou n SER 298 N -4.49 1.41 0.00 2.45 3.41 -1.26 -5.19 113.62 109.95 1bou n SER 298 Ca 0.03 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 1bou n SER 298 Cb 0.21 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1bou n SER 298 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06