#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ony h MET 3 N 0.00 0.00 -0.17 5.31 -0.00 -1.91 -2.89 114.93 115.27 1ony h MET 3 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.56 1ony h MET 3 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1ony h MET 3 CO 0.00 0.18 -0.50 1.49 -0.00 0.00 0.00 176.91 178.08 1ony h GLU 4 N 0.00 0.45 -0.37 -0.10 4.81 -1.98 0.67 114.58 118.06 1ony h GLU 4 Ca -0.01 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 58.85 1ony h GLU 4 Cb 1.15 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1ony h GLU 4 CO 0.02 0.85 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.71 1ony h LYS 5 N 0.35 0.80 -0.59 1.92 3.64 -1.99 -1.98 116.57 118.72 1ony h LYS 5 Ca 0.02 -0.37 -0.07 0.00 -1.27 0.00 0.00 60.65 58.95 1ony h LYS 5 Cb 1.00 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1ony h LYS 5 CO 0.09 1.00 0.08 1.49 -2.27 0.00 0.00 179.45 179.84 1ony h GLU 6 N 0.60 0.99 -0.14 1.90 4.81 -1.27 -2.74 114.58 118.73 1ony h GLU 6 Ca 0.08 -0.27 0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1ony h GLU 6 Cb 0.78 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 1ony h GLU 6 CO 0.06 0.94 -0.20 0.35 -0.73 0.00 0.00 179.01 179.43 1ony h PHE 7 N 0.89 -0.53 0.00 0.92 3.57 0.58 -1.43 116.94 120.93 1ony h PHE 7 Ca 0.18 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1ony h PHE 7 Cb 0.44 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1ony h PHE 7 CO 0.03 -0.28 -0.08 0.93 -2.23 0.00 0.00 178.31 176.68 1ony h GLU 8 N -0.25 0.00 -0.06 1.11 5.08 -1.24 -1.88 114.58 117.34 1ony h GLU 8 Ca 0.10 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1ony h GLU 8 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1ony h GLU 8 CO -0.29 0.08 -0.12 1.96 -1.00 0.00 0.00 179.01 179.65 1ony h GLN 9 N 0.00 0.18 -0.84 2.33 4.20 -0.98 0.17 115.11 120.16 1ony h GLN 9 Ca -0.00 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1ony h GLN 9 Cb 0.23 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 1ony h GLN 9 CO 0.01 0.71 0.50 0.82 -0.67 0.00 0.00 178.83 180.20 1ony h ILE 10 N -0.33 1.23 0.13 2.54 2.04 -1.04 -0.65 117.51 121.43 1ony h ILE 10 Ca 0.00 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1ony h ILE 10 Cb 0.70 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1ony h ILE 10 CO 0.03 0.25 -0.06 0.44 0.00 0.00 0.00 178.15 178.80 1ony h ASP 11 N 1.17 -0.15 -0.31 1.72 5.19 -1.32 0.44 116.42 123.15 1ony h ASP 11 Ca 0.30 -0.24 0.05 0.00 -0.62 0.00 0.00 57.03 56.53 1ony h ASP 11 Cb -0.04 0.04 -0.08 0.00 0.18 0.00 0.00 39.33 39.43 1ony h ASP 11 CO -0.06 0.16 -0.49 0.50 -3.12 0.00 0.00 179.24 176.23 1ony h LYS 12 N -0.47 -0.41 -0.25 3.56 3.64 -0.56 0.18 116.57 122.25 1ony h LYS 12 Ca -0.02 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ony h LYS 12 Cb 0.38 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1ony h LYS 12 CO 0.03 -0.27 0.00 -1.13 -2.27 0.00 0.00 179.45 175.81 1ony n SER 13 N -5.41 1.33 -4.03 4.20 3.41 -0.29 -4.95 113.62 107.89 1ony n SER 13 Ca -0.03 -2.00 -0.39 0.00 -0.26 0.00 0.00 58.87 56.19 1ony n SER 13 Cb 0.36 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.16 1ony n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ony n GLY 14 N 0.90 -0.67 1.36 5.00 0.00 0.14 -4.86 105.19 107.06 1ony n GLY 14 Ca 0.08 0.27 -0.10 0.00 0.00 0.00 0.00 46.02 46.27 1ony n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ony n SER 15 N -1.54 3.44 -0.12 1.61 3.41 -0.40 -4.77 113.62 115.26 1ony n SER 15 Ca -0.09 -3.82 -0.10 0.00 -0.26 0.00 0.00 58.87 54.60 1ony n SER 15 Cb 0.45 -0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 1ony n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1ony h TRP 16 N 1.53 0.56 -0.73 7.33 4.06 -1.89 -1.99 115.95 124.81 1ony h TRP 16 Ca 0.22 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 61.09 1ony h TRP 16 Cb 1.33 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 29.29 1ony h TRP 16 CO 0.88 0.55 0.39 0.00 -3.56 0.00 0.00 178.44 176.70 1ony h ALA 17 N 0.95 0.94 -0.20 1.49 0.00 -1.92 0.17 119.26 120.68 1ony h ALA 17 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ony h ALA 17 Cb 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ony h ALA 17 CO -0.00 0.46 0.11 0.00 0.00 0.00 0.00 179.25 179.82 1ony h ALA 18 N 1.19 0.26 -0.54 0.00 0.00 -1.89 -0.35 119.26 117.93 1ony h ALA 18 Ca 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1ony h ALA 18 Cb 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ony h ALA 18 CO -0.04 -0.22 0.20 0.82 0.00 0.00 0.00 179.25 180.02 1ony h ILE 19 N 0.22 1.22 -0.54 0.00 2.04 -1.02 -1.84 117.51 117.60 1ony h ILE 19 Ca 0.07 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 1ony h ILE 19 Cb 0.06 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1ony h ILE 19 CO -0.01 0.27 0.27 0.22 0.00 0.00 0.00 178.15 178.89 1ony h TYR 20 N 0.74 0.74 -0.16 1.37 3.20 -0.46 -2.23 116.97 120.17 1ony h TYR 20 Ca 0.18 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 1ony h TYR 20 Cb 0.22 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1ony h TYR 20 CO 0.01 0.54 -0.42 0.37 -1.64 0.00 0.00 178.16 177.02 1ony h GLN 21 N 0.75 0.37 -0.30 1.82 5.75 -0.54 -1.96 115.11 121.01 1ony h GLN 21 Ca 0.19 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1ony h GLN 21 Cb 0.07 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1ony h GLN 21 CO -0.03 0.73 0.15 -0.44 -2.65 0.00 0.00 178.83 176.59 1ony h ASP 22 N 0.31 0.39 -0.17 -0.69 3.32 -0.75 -0.77 116.42 118.06 1ony h ASP 22 Ca 0.03 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 56.99 1ony h ASP 22 Cb 0.87 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1ony h ASP 22 CO 0.07 0.39 -0.00 0.40 -1.72 0.00 0.00 179.24 178.38 1ony h ILE 23 N 0.35 0.88 -0.70 0.35 2.04 -1.30 0.56 117.51 119.68 1ony h ILE 23 Ca 0.10 -0.02 0.10 0.00 1.00 0.00 0.00 64.86 66.05 1ony h ILE 23 Cb 0.11 0.83 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 1ony h ILE 23 CO -0.01 0.01 0.33 0.03 0.00 0.00 0.00 178.15 178.50 1ony h ARG 24 N 0.05 0.53 -0.54 2.37 3.08 -1.06 0.23 114.38 119.05 1ony h ARG 24 Ca 0.08 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1ony h ARG 24 Cb 0.10 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1ony h ARG 24 CO -0.13 0.35 0.06 1.25 -1.07 0.00 0.00 179.97 180.42 1ony h HIS 25 N 0.55 0.97 0.00 3.04 2.76 -0.43 -3.04 115.15 119.00 1ony h HIS 25 Ca 0.35 -0.15 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 1ony h HIS 25 Cb 0.41 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 1ony h HIS 25 CO -0.12 0.88 -0.08 0.93 -1.30 0.00 0.00 177.93 178.23 1ony h GLU 26 N 0.79 0.00 -6.61 5.26 5.08 -0.12 -3.47 114.58 115.50 1ony h GLU 26 Ca 0.16 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.93 1ony h GLU 26 Cb 0.45 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.83 1ony h GLU 26 CO 0.02 0.08 0.15 0.00 -1.00 0.00 0.00 179.01 178.26 1ony n ALA 27 N -2.13 0.10 -0.77 3.43 0.00 0.73 -4.97 120.51 116.91 1ony n ALA 27 Ca 0.03 0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 1ony n ALA 27 Cb 0.49 -2.07 0.19 0.00 0.00 0.00 0.00 19.45 18.06 1ony n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ony s SER 28 N -0.71 2.43 -0.14 0.00 0.01 -1.26 -5.05 113.70 108.97 1ony s SER 28 Ca 0.62 1.81 -0.05 0.00 1.31 0.00 0.00 55.95 59.64 1ony s SER 28 Cb -0.58 -2.40 0.07 0.00 0.21 0.00 0.00 66.02 63.32 1ony s SER 28 CO 0.57 -3.35 0.30 -0.62 0.41 0.00 0.00 173.24 170.56 1ony s ASP 29 N -2.80 0.11 0.17 2.44 3.68 -1.26 -4.96 116.67 114.05 1ony s ASP 29 Ca 0.66 0.67 0.02 0.00 2.13 0.00 0.00 52.55 56.04 1ony s ASP 29 Cb -0.22 0.78 -0.05 0.00 -1.45 0.00 0.00 42.92 41.98 1ony s ASP 29 CO 0.60 -0.23 -0.01 -0.36 0.13 0.00 0.00 175.17 175.30 1ony s PHE 30 N 2.24 1.22 0.53 -5.34 0.08 -1.26 -5.14 117.98 110.31 1ony s PHE 30 Ca -0.01 -0.98 -0.21 0.00 0.12 0.00 0.00 56.93 55.84 1ony s PHE 30 Cb -0.12 -0.69 -0.05 0.00 -0.57 0.00 0.00 43.02 41.59 1ony s PHE 30 CO -0.10 -0.17 1.23 -2.14 -0.10 0.00 0.00 175.22 173.94 1ony s PRO 31 N -3.89 3.32 -0.35 0.24 0.02 -1.26 -4.87 135.00 128.20 1ony s PRO 31 Ca 0.23 1.90 0.15 0.00 0.02 0.00 0.00 61.00 63.30 1ony s PRO 31 Cb 0.06 -2.18 0.44 0.00 0.02 0.00 0.00 34.50 32.84 1ony s PRO 31 CO 0.03 -0.95 0.96 0.00 -0.33 0.00 0.00 177.00 176.72 1ony h ARG 33 N 2.92 1.11 -0.19 0.00 3.08 -1.93 -2.62 114.38 116.75 1ony h ARG 33 Ca -0.01 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 1ony h ARG 33 Cb 1.11 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1ony h ARG 33 CO 0.57 0.98 0.05 0.28 -1.07 0.00 0.00 179.97 180.78 1ony h VAL 34 N 1.06 1.20 -0.41 2.04 2.07 -1.92 -2.50 116.25 117.78 1ony h VAL 34 Ca 0.22 -0.63 0.10 0.00 0.82 0.00 0.00 66.70 67.21 1ony h VAL 34 Cb 0.37 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1ony h VAL 34 CO 0.00 0.20 0.29 0.00 0.02 0.00 0.00 177.57 178.08 1ony h ALA 35 N 0.87 2.28 0.00 1.67 0.00 -1.83 -1.99 119.26 120.26 1ony h ALA 35 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ony h ALA 35 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ony h ALA 35 CO -0.00 -0.39 -0.38 1.63 0.00 0.00 0.00 179.25 180.11 1ony n LYS 36 N -4.44 0.06 -1.70 0.00 4.76 -0.97 -4.72 118.16 111.15 1ony n LYS 36 Ca 0.07 0.02 -0.43 0.00 -2.87 0.00 0.00 58.31 55.10 1ony n LYS 36 Cb 0.43 -1.55 -0.02 0.00 -1.84 0.00 0.00 35.03 32.05 1ony n LYS 36 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ony n LEU 37 N -1.64 3.68 -0.34 -0.35 4.77 -0.75 -4.86 117.00 117.51 1ony n LEU 37 Ca 0.05 1.15 0.21 0.00 -0.03 0.00 0.00 56.01 57.39 1ony n LEU 37 Cb 0.36 -1.50 0.45 0.00 -2.33 0.00 0.00 43.42 40.40 1ony n LEU 37 CO 0.33 -0.21 1.19 -0.65 -1.33 0.00 0.00 177.39 176.72 1ony h PRO 38 N 4.32 0.46 0.00 3.23 0.11 -1.91 0.80 132.00 139.02 1ony h PRO 38 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ony h PRO 38 Cb 1.25 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ony h PRO 38 CO 0.76 0.31 -0.02 1.57 -0.21 0.00 0.00 178.00 180.41 1ony h LYS 39 N 0.48 0.00 -0.64 1.05 2.10 -1.95 -2.35 116.57 115.25 1ony h LYS 39 Ca 0.63 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.28 1ony h LYS 39 Cb 1.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 1ony h LYS 39 CO -0.39 0.02 0.00 0.09 -2.00 0.00 0.00 179.45 177.16 1ony n ASN 40 N -3.47 3.72 -0.17 7.07 3.02 0.27 -4.61 115.26 121.09 1ony n ASN 40 Ca -0.03 -2.00 -0.01 0.00 -0.03 0.00 0.00 54.58 52.51 1ony n ASN 40 Cb 0.11 -0.43 0.08 0.00 -0.61 0.00 0.00 39.78 38.93 1ony n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1ony h LYS 41 N 3.79 0.17 0.00 3.52 3.11 -1.43 -0.39 116.57 125.34 1ony h LYS 41 Ca 0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1ony h LYS 41 Cb 0.93 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.12 1ony h LYS 41 CO 0.00 0.11 0.00 0.27 -2.81 0.00 0.00 179.45 177.02 1ony n ASN 42 N -5.18 0.00 -1.00 4.20 0.23 -1.26 -2.91 115.26 109.34 1ony n ASN 42 Ca 0.07 -1.35 0.12 0.00 -0.53 0.00 0.00 54.58 52.89 1ony n ASN 42 Cb 0.29 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.11 1ony n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1ony n ARG 43 N -0.78 2.36 -4.97 -3.83 1.74 -0.16 -4.89 116.66 106.12 1ony n ARG 43 Ca 0.13 -2.00 -0.32 0.00 -0.77 0.00 0.00 57.85 54.88 1ony n ARG 43 Cb 0.06 -1.47 -0.15 0.00 -1.02 0.00 0.00 32.46 29.88 1ony n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1ony s ASN 44 N -1.89 3.70 -0.00 0.55 0.01 -1.15 -4.37 114.94 111.79 1ony s ASN 44 Ca 0.30 -0.35 -0.18 0.00 -0.71 0.00 0.00 52.86 51.92 1ony s ASN 44 Cb 0.21 -1.17 -0.34 0.00 0.41 0.00 0.00 41.25 40.36 1ony s ASN 44 CO 0.30 0.24 0.93 -0.09 -1.51 0.00 0.00 177.10 176.98 1ony h ARG 45 N 6.13 0.45 -6.17 -0.60 2.43 -1.89 -3.46 114.38 111.28 1ony h ARG 45 Ca -0.33 -0.77 -0.68 0.00 -0.81 0.00 0.00 59.98 57.39 1ony h ARG 45 Cb 1.19 0.29 -0.31 0.00 -0.42 0.00 0.00 29.97 30.72 1ony h ARG 45 CO 0.51 1.37 -0.88 0.71 -1.51 0.00 0.00 179.97 180.17 1ony s TYR 46 N -2.54 2.33 0.38 2.20 2.02 -1.26 -5.02 117.35 115.46 1ony s TYR 46 Ca -0.11 -0.60 0.13 0.00 -0.37 0.00 0.00 57.07 56.12 1ony s TYR 46 Cb 0.03 -1.52 0.78 0.00 -0.40 0.00 0.00 41.96 40.85 1ony s TYR 46 CO 0.90 -0.15 1.86 -0.09 -1.57 0.00 0.00 175.55 176.50 1ony h ARG 47 N 5.86 0.00 -0.67 -0.62 2.43 -1.98 -3.01 114.38 116.39 1ony h ARG 47 Ca -0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1ony h ARG 47 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1ony h ARG 47 CO 0.47 0.34 0.00 -0.40 -1.51 0.00 0.00 179.97 178.87 1ony n ASP 48 N -4.13 4.53 -3.83 -3.80 5.68 -1.26 -4.80 116.55 108.94 1ony n ASP 48 Ca -0.02 -2.36 -0.30 0.00 -0.50 0.00 0.00 54.79 51.61 1ony n ASP 48 Cb 0.38 -0.56 -0.15 0.00 -1.14 0.00 0.00 41.12 39.64 1ony n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ony s VAL 49 N -1.70 1.25 0.09 2.12 1.01 -1.14 -5.09 120.40 116.94 1ony s VAL 49 Ca 0.50 -1.45 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1ony s VAL 49 Cb 0.31 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1ony s VAL 49 CO 0.26 -0.49 -0.07 -0.44 0.00 0.00 0.00 175.10 174.36 1ony s SER 50 N 1.46 1.16 0.13 3.32 0.01 -1.26 -4.66 113.70 113.85 1ony s SER 50 Ca 0.05 -0.90 -0.22 0.00 1.31 0.00 0.00 55.95 56.19 1ony s SER 50 Cb -0.18 0.07 -0.07 0.00 0.21 0.00 0.00 66.02 66.05 1ony s SER 50 CO -0.16 -0.39 0.68 -2.16 0.41 0.00 0.00 173.24 171.62 1ony s PRO 51 N -3.31 4.37 0.53 12.44 0.04 -1.26 -4.53 135.00 143.28 1ony s PRO 51 Ca 0.07 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 61.84 1ony s PRO 51 Cb 0.01 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 1ony s PRO 51 CO -0.03 0.59 1.26 -0.06 0.04 0.00 0.00 177.00 178.79 1ony s PHE 52 N -1.17 2.49 0.29 0.56 0.08 -1.26 -4.61 117.98 114.36 1ony s PHE 52 Ca 0.33 1.46 -0.02 0.00 0.12 0.00 0.00 56.93 58.82 1ony s PHE 52 Cb -0.21 -3.59 0.42 0.00 -0.57 0.00 0.00 43.02 39.07 1ony s PHE 52 CO 0.22 -2.30 1.94 -0.44 -0.10 0.00 0.00 175.22 174.55 1ony h ASP 53 N 1.47 0.93 0.95 1.36 3.32 -1.24 -2.33 116.42 120.88 1ony h ASP 53 Ca -0.50 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.47 1ony h ASP 53 Cb 1.28 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 1ony h ASP 53 CO 0.57 0.72 -0.13 1.12 -1.72 0.00 0.00 179.24 179.81 1ony h HIS 54 N 1.08 0.00 0.00 4.55 2.07 -1.91 -3.23 115.15 117.71 1ony h HIS 54 Ca 0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.80 1ony h HIS 54 Cb -0.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.93 1ony h HIS 54 CO 0.00 0.13 -0.01 -1.13 -3.07 0.00 0.00 177.93 173.85 1ony n SER 55 N -3.28 1.99 -4.79 3.10 3.41 -1.16 -5.06 113.62 107.83 1ony n SER 55 Ca 0.00 -2.27 -0.35 0.00 -0.26 0.00 0.00 58.87 55.99 1ony n SER 55 Cb 0.37 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1ony n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ony s ARG 56 N -1.48 4.00 0.03 4.33 1.70 -0.89 -0.21 118.95 126.43 1ony s ARG 56 Ca 0.09 1.43 -0.27 0.00 -0.47 0.00 0.00 55.73 56.51 1ony s ARG 56 Cb 0.08 -2.33 -0.05 0.00 -0.57 0.00 0.00 34.95 32.09 1ony s ARG 56 CO 0.01 -0.27 0.86 0.42 -1.08 0.00 0.00 175.30 175.24 1ony s ILE 57 N -1.82 4.77 -0.18 4.99 -1.09 -0.11 -4.80 121.20 122.95 1ony s ILE 57 Ca 0.62 1.83 -0.06 0.00 -2.23 0.00 0.00 60.65 60.81 1ony s ILE 57 Cb -0.19 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 1ony s ILE 57 CO 0.24 0.28 0.03 -0.54 -1.23 0.00 0.00 174.94 173.71 1ony s LYS 58 N 0.40 3.86 0.36 2.79 1.02 -1.26 -4.34 119.74 122.56 1ony s LYS 58 Ca 0.44 -0.41 -0.26 0.00 0.02 0.00 0.00 55.97 55.76 1ony s LYS 58 Cb -0.21 -3.12 -0.09 0.00 -0.52 0.00 0.00 37.83 33.89 1ony s LYS 58 CO 0.25 0.23 1.14 -0.51 -0.92 0.00 0.00 175.35 175.55 1ony s LEU 59 N 0.44 4.30 -1.44 3.17 1.43 0.11 -4.91 118.68 121.79 1ony s LEU 59 Ca 0.01 2.31 -0.12 0.00 -1.03 0.00 0.00 54.13 55.30 1ony s LEU 59 Cb -0.13 -3.91 0.05 0.00 0.03 0.00 0.00 46.19 42.24 1ony s LEU 59 CO 0.01 -0.49 2.28 1.41 0.23 0.00 0.00 176.35 179.79 1ony n HIS 60 N 0.42 3.15 -3.74 0.29 8.25 -1.26 -4.56 115.22 117.76 1ony n HIS 60 Ca 0.03 -2.94 -0.13 0.00 -0.26 0.00 0.00 57.72 54.42 1ony n HIS 60 Cb 0.46 -2.36 -0.13 0.00 1.12 0.00 0.00 29.99 29.08 1ony n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1ony s GLN 61 N 2.09 0.20 0.53 -0.41 -2.07 -1.26 -5.03 119.66 113.70 1ony s GLN 61 Ca 0.49 0.46 0.28 0.00 -1.82 0.00 0.00 55.36 54.78 1ony s GLN 61 Cb 0.14 -0.09 1.47 0.00 -1.09 0.00 0.00 33.01 33.44 1ony s GLN 61 CO -0.06 -0.14 2.08 0.93 -1.32 0.00 0.00 175.29 176.77 1ony h GLU 62 N 6.95 0.00 0.00 9.60 5.08 -2.02 -3.32 114.58 130.86 1ony h GLU 62 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1ony h GLU 62 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ony h GLU 62 CO 0.38 0.11 0.00 -3.47 -1.00 0.00 0.00 179.01 175.03 1ony n ASP 63 N -3.61 0.00 -3.96 1.42 2.03 -1.26 -4.79 116.55 106.38 1ony n ASP 63 Ca -0.02 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.99 1ony n ASP 63 Cb 0.24 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.48 1ony n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1ony s ASN 64 N -1.98 3.46 -0.02 1.67 3.84 -1.26 -5.00 114.94 115.65 1ony s ASN 64 Ca 0.00 -0.95 0.09 0.00 0.21 0.00 0.00 52.86 52.21 1ony s ASN 64 Cb 0.00 -1.17 0.28 0.00 -0.55 0.00 0.00 41.25 39.81 1ony s ASN 64 CO 0.00 -0.18 1.18 -0.90 -2.79 0.00 0.00 177.10 174.41 1ony n ASP 65 N 4.71 1.89 -4.76 -4.21 5.68 -1.25 -4.80 116.55 113.80 1ony n ASP 65 Ca -0.13 -2.08 -0.39 0.00 -0.50 0.00 0.00 54.79 51.69 1ony n ASP 65 Cb 0.46 -0.28 -0.05 0.00 -1.14 0.00 0.00 41.12 40.11 1ony n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1ony s TYR 66 N -1.62 3.72 -0.16 2.11 5.04 -1.26 -0.72 117.35 124.46 1ony s TYR 66 Ca 0.21 1.33 -0.16 0.00 -2.44 0.00 0.00 57.07 56.00 1ony s TYR 66 Cb 0.12 -2.69 0.04 0.00 0.35 0.00 0.00 41.96 39.78 1ony s TYR 66 CO 0.12 0.34 0.45 -1.50 -1.34 0.00 0.00 175.55 173.63 1ony s ILE 67 N -0.23 0.00 -1.21 3.14 2.07 -1.26 -4.91 121.20 118.80 1ony s ILE 67 Ca 0.34 -0.02 -0.20 0.00 -1.41 0.00 0.00 60.65 59.36 1ony s ILE 67 Cb -0.19 -0.64 0.03 0.00 0.13 0.00 0.00 42.46 41.78 1ony s ILE 67 CO 0.20 -0.01 1.75 0.21 -1.91 0.00 0.00 174.94 175.17 1ony s ASN 68 N 0.14 6.31 -0.06 4.50 3.84 -1.26 -4.65 114.94 123.76 1ony s ASN 68 Ca -0.01 -2.04 -0.14 0.00 0.21 0.00 0.00 52.86 50.89 1ony s ASN 68 Cb -0.03 -2.58 0.03 0.00 -0.55 0.00 0.00 41.25 38.12 1ony s ASN 68 CO 0.01 -1.72 0.32 0.00 -2.79 0.00 0.00 177.10 172.92 1ony s ALA 69 N 6.11 -0.80 0.02 1.71 0.00 -1.26 -3.06 121.76 124.48 1ony s ALA 69 Ca 0.57 0.56 0.05 0.00 0.00 0.00 0.00 51.96 53.14 1ony s ALA 69 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1ony s ALA 69 CO 0.06 -0.22 -0.14 -1.12 0.00 0.00 0.00 175.76 174.34 1ony s SER 70 N -0.75 1.69 -0.37 0.00 0.01 0.29 -0.94 113.70 113.63 1ony s SER 70 Ca -0.08 -0.40 -0.18 0.00 1.31 0.00 0.00 55.95 56.59 1ony s SER 70 Cb -0.04 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1ony s SER 70 CO 0.03 0.08 0.53 -0.22 0.41 0.00 0.00 173.24 174.06 1ony s LEU 71 N -0.90 4.40 -0.45 2.44 2.96 0.70 -0.93 118.68 126.91 1ony s LEU 71 Ca 0.03 -0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 53.66 1ony s LEU 71 Cb -0.07 -2.59 0.04 0.00 0.50 0.00 0.00 46.19 44.07 1ony s LEU 71 CO 0.01 -0.53 0.41 -0.63 -1.32 0.00 0.00 176.35 174.29 1ony s ILE 72 N 2.43 5.16 -0.41 6.68 1.09 0.11 -4.89 121.20 131.37 1ony s ILE 72 Ca 0.19 -0.68 -0.14 0.00 -1.10 0.00 0.00 60.65 58.92 1ony s ILE 72 Cb -0.15 -4.07 0.04 0.00 -1.06 0.00 0.00 42.46 37.21 1ony s ILE 72 CO 0.14 -0.49 0.29 -0.54 -0.10 0.00 0.00 174.94 174.24 1ony s LYS 73 N 1.91 2.91 -0.70 2.79 1.02 -1.26 -1.22 119.74 125.19 1ony s LYS 73 Ca 0.08 -1.13 -0.17 0.00 0.02 0.00 0.00 55.97 54.77 1ony s LYS 73 Cb -0.20 -3.93 0.14 0.00 -0.52 0.00 0.00 37.83 33.32 1ony s LYS 73 CO 0.10 -0.80 0.75 -1.64 -0.92 0.00 0.00 175.35 172.84 1ony s MET 74 N 1.62 3.28 0.09 1.68 -1.94 0.89 -4.95 119.30 119.97 1ony s MET 74 Ca 0.04 -1.78 -0.30 0.00 -1.71 0.00 0.00 55.69 51.94 1ony s MET 74 Cb -0.20 -4.42 -0.13 0.00 2.01 0.00 0.00 34.83 32.09 1ony s MET 74 CO 0.08 -1.47 1.48 1.49 -0.01 0.00 0.00 175.02 176.58 1ony h GLU 75 N 8.69 -0.63 -0.61 2.03 4.81 -1.96 0.14 114.58 127.05 1ony h GLU 75 Ca -0.11 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1ony h GLU 75 Cb 1.07 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1ony h GLU 75 CO 0.99 -0.42 0.33 1.49 -0.73 0.00 0.00 179.01 180.67 1ony h GLU 76 N -0.65 0.85 0.00 1.92 4.81 -1.96 -2.37 114.58 117.18 1ony h GLU 76 Ca -0.01 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1ony h GLU 76 Cb 0.66 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1ony h GLU 76 CO -0.25 0.65 0.00 0.00 -0.73 0.00 0.00 179.01 178.68 1ony n ALA 77 N -2.32 2.19 -3.66 2.92 0.00 -1.19 -4.92 120.51 113.53 1ony n ALA 77 Ca 0.04 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 1ony n ALA 77 Cb 0.09 -1.43 0.04 0.00 0.00 0.00 0.00 19.45 18.15 1ony n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ony n GLN 78 N -1.65 -4.14 -4.12 0.00 6.02 0.44 -4.99 117.38 108.94 1ony n GLN 78 Ca 0.06 0.61 -0.16 0.00 -0.01 0.00 0.00 57.00 57.51 1ony n GLN 78 Cb 0.32 -5.07 -0.14 0.00 1.02 0.00 0.00 30.24 26.36 1ony n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1ony s ARG 79 N -5.85 0.38 0.04 -1.09 6.06 -0.83 -4.88 118.95 112.77 1ony s ARG 79 Ca 0.10 -0.15 0.06 0.00 -2.50 0.00 0.00 55.73 53.24 1ony s ARG 79 Cb -0.03 -0.38 -0.02 0.00 0.06 0.00 0.00 34.95 34.58 1ony s ARG 79 CO 0.81 0.09 -0.17 -1.12 -2.50 0.00 0.00 175.30 172.41 1ony s SER 80 N -0.04 2.02 -0.01 -2.12 0.01 -1.26 -0.08 113.70 112.23 1ony s SER 80 Ca 0.01 -0.47 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 1ony s SER 80 Cb -0.03 -0.16 -0.00 0.00 0.21 0.00 0.00 66.02 66.05 1ony s SER 80 CO -0.00 0.10 0.03 -0.31 0.41 0.00 0.00 173.24 173.47 1ony s TYR 81 N -0.78 0.01 -0.29 2.43 1.51 -0.36 -4.10 117.35 115.78 1ony s TYR 81 Ca 0.05 -0.00 -0.09 0.00 -1.01 0.00 0.00 57.07 56.01 1ony s TYR 81 Cb -0.08 -0.02 -0.02 0.00 -0.11 0.00 0.00 41.96 41.73 1ony s TYR 81 CO 0.01 -0.05 0.13 0.42 -1.11 0.00 0.00 175.55 174.95 1ony s ILE 82 N -0.24 4.63 -0.17 2.71 1.01 -0.11 0.10 121.20 129.13 1ony s ILE 82 Ca -0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 1ony s ILE 82 Cb -0.02 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1ony s ILE 82 CO -0.00 0.19 0.08 -0.76 0.00 0.00 0.00 174.94 174.44 1ony s LEU 83 N 1.64 3.94 0.23 2.97 1.02 -0.11 -0.52 118.68 127.85 1ony s LEU 83 Ca 0.06 0.17 -0.04 0.00 0.02 0.00 0.00 54.13 54.34 1ony s LEU 83 Cb -0.16 -1.98 -0.03 0.00 0.02 0.00 0.00 46.19 44.04 1ony s LEU 83 CO 0.06 0.23 0.25 0.28 0.02 0.00 0.00 176.35 177.20 1ony s THR 84 N 0.03 0.00 0.55 5.49 -1.32 -0.41 -0.55 115.64 119.42 1ony s THR 84 Ca 0.07 -1.82 -0.07 0.00 -1.21 0.00 0.00 61.69 58.66 1ony s THR 84 Cb -0.12 -2.43 -0.03 0.00 -1.51 0.00 0.00 72.50 68.42 1ony s THR 84 CO 0.01 0.00 0.89 0.00 -2.21 0.00 0.00 174.62 173.30 1ony s GLN 85 N -4.02 3.44 0.15 7.08 -2.07 -1.17 -3.68 119.66 119.38 1ony s GLN 85 Ca 0.34 0.34 -0.31 0.00 -1.82 0.00 0.00 55.36 53.91 1ony s GLN 85 Cb 0.04 -2.26 -0.10 0.00 -1.09 0.00 0.00 33.01 29.60 1ony s GLN 85 CO 0.13 -0.42 1.63 0.20 -1.32 0.00 0.00 175.29 175.50 1ony s GLY 86 N -4.17 1.50 0.62 2.60 0.00 -0.60 -4.84 107.32 102.42 1ony s GLY 86 Ca 0.51 1.37 -0.18 0.00 0.00 0.00 0.00 44.72 46.42 1ony s GLY 86 CO 0.48 2.76 0.80 -1.55 0.00 0.00 0.00 173.10 175.59 1ony n PRO 87 N 4.45 0.68 -3.39 2.90 -0.04 -1.26 -4.74 135.00 133.60 1ony n PRO 87 Ca 0.15 0.27 -0.21 0.00 -0.04 0.00 0.00 63.50 63.67 1ony n PRO 87 Cb 0.38 -2.01 -0.00 0.00 -0.04 0.00 0.00 33.50 31.83 1ony n PRO 87 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ony s LEU 88 N -1.22 3.93 0.43 1.53 1.43 -1.26 -1.60 118.68 121.93 1ony s LEU 88 Ca 0.73 0.05 0.20 0.00 -1.03 0.00 0.00 54.13 54.09 1ony s LEU 88 Cb -0.41 -2.94 1.15 0.00 0.03 0.00 0.00 46.19 44.02 1ony s LEU 88 CO 0.50 -0.45 1.83 -0.65 0.23 0.00 0.00 176.35 177.81 1ony h PRO 89 N 0.77 0.33 -0.16 1.29 0.11 -1.96 -0.04 132.00 132.34 1ony h PRO 89 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ony h PRO 89 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ony h PRO 89 CO 0.56 0.22 0.00 0.27 -0.21 0.00 0.00 178.00 178.84 1ony n ASN 90 N -4.50 2.75 -0.07 -2.05 6.94 -1.26 -4.37 115.26 112.70 1ony n ASN 90 Ca 0.21 -1.89 0.06 0.00 -0.02 0.00 0.00 54.58 52.94 1ony n ASN 90 Cb 0.80 -0.10 0.08 0.00 -2.36 0.00 0.00 39.78 38.21 1ony n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1ony n THR 91 N 1.08 1.41 0.01 5.53 -2.24 -0.04 -4.71 114.28 115.33 1ony n THR 91 Ca 0.17 -1.63 -0.06 0.00 -2.27 0.00 0.00 64.05 60.27 1ony n THR 91 Cb 0.53 0.09 0.14 0.00 -2.10 0.00 0.00 70.33 69.00 1ony n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ony h GLY 93 N 1.08 0.32 1.02 0.00 0.00 -1.91 -2.00 103.07 101.58 1ony h GLY 93 Ca 0.04 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 1ony h GLY 93 CO 0.07 0.31 -0.16 0.45 0.00 0.00 0.00 176.54 177.22 1ony h HIS 94 N 0.23 0.96 -0.02 5.60 3.86 -1.79 -0.34 115.15 123.64 1ony h HIS 94 Ca 0.01 -0.22 0.02 0.00 -1.16 0.00 0.00 60.37 59.02 1ony h HIS 94 Cb 0.98 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 29.19 1ony h HIS 94 CO 0.02 0.98 -0.11 0.35 0.86 0.00 0.00 177.93 180.03 1ony h PHE 95 N 0.66 -0.28 0.00 2.45 3.04 -0.85 0.96 116.94 122.92 1ony h PHE 95 Ca 0.10 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.98 1ony h PHE 95 Cb 0.70 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 1ony h PHE 95 CO 0.05 -0.17 -0.40 -1.49 -2.02 0.00 0.00 178.31 174.29 1ony h TRP 96 N -0.18 0.00 -0.49 0.41 4.06 -1.31 -1.74 115.95 116.71 1ony h TRP 96 Ca 0.05 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.96 1ony h TRP 96 Cb 0.24 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 1ony h TRP 96 CO -0.18 0.40 0.15 1.49 -3.56 0.00 0.00 178.44 176.74 1ony h GLU 97 N 0.00 0.76 -0.19 0.49 4.81 -0.35 -1.03 114.58 119.08 1ony h GLU 97 Ca -0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1ony h GLU 97 Cb 0.89 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1ony h GLU 97 CO 0.05 0.72 0.12 1.98 -0.73 0.00 0.00 179.01 181.15 1ony h MET 98 N 0.66 0.26 -0.94 1.92 4.05 -0.37 0.40 114.93 120.91 1ony h MET 98 Ca 0.16 -0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.66 1ony h MET 98 Cb 0.27 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 30.95 1ony h MET 98 CO -0.00 0.19 0.60 0.28 0.23 0.00 0.00 176.91 178.21 1ony h VAL 99 N 0.24 0.96 0.00 -5.77 2.07 -1.04 -0.49 116.25 112.21 1ony h VAL 99 Ca 0.07 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1ony h VAL 99 Cb -0.00 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.70 1ony h VAL 99 CO -0.01 0.17 -0.00 -0.25 0.02 0.00 0.00 177.57 177.50 1ony h TRP 100 N 0.94 -0.00 -0.11 1.57 2.91 -0.54 -2.20 115.95 118.53 1ony h TRP 100 Ca 0.44 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.41 1ony h TRP 100 Cb 0.43 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.07 1ony h TRP 100 CO -0.00 0.58 -0.20 0.93 -1.03 0.00 0.00 178.44 178.72 1ony h GLU 101 N -0.58 0.18 -0.01 2.65 5.08 -0.68 -2.38 114.58 118.83 1ony h GLU 101 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ony h GLU 101 Cb 0.58 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ony h GLU 101 CO 0.00 0.38 -0.08 1.04 -1.00 0.00 0.00 179.01 179.35 1ony n GLN 102 N -4.23 1.29 -3.16 2.33 1.13 -0.22 -4.94 117.38 109.59 1ony n GLN 102 Ca -0.01 -0.69 -0.23 0.00 -1.94 0.00 0.00 57.00 54.13 1ony n GLN 102 Cb 0.30 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.20 1ony n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ony n LYS 103 N -0.25 -4.79 -2.04 -1.09 5.02 -0.90 -4.04 118.16 110.07 1ony n LYS 103 Ca 0.17 0.80 -0.35 0.00 -2.02 0.00 0.00 58.31 56.91 1ony n LYS 103 Cb 0.33 -5.64 0.03 0.00 -0.02 0.00 0.00 35.03 29.72 1ony n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1ony s SER 104 N -2.76 5.35 -0.15 4.39 0.01 -0.86 -1.01 113.70 118.66 1ony s SER 104 Ca 0.35 2.23 0.14 0.00 1.31 0.00 0.00 55.95 59.99 1ony s SER 104 Cb -0.17 -2.58 -0.20 0.00 0.21 0.00 0.00 66.02 63.28 1ony s SER 104 CO 0.44 -1.48 0.06 -1.14 0.41 0.00 0.00 173.24 171.54 1ony n ARG 105 N -1.66 1.39 -4.07 12.44 3.00 -1.26 -4.84 116.66 121.66 1ony n ARG 105 Ca 0.12 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.85 57.85 1ony n ARG 105 Cb 0.51 -1.41 -0.11 0.00 0.00 0.00 0.00 32.46 31.45 1ony n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1ony s GLY 106 N -4.91 0.50 -0.08 5.14 0.00 -1.26 -1.31 107.32 105.40 1ony s GLY 106 Ca -0.08 -0.90 0.05 0.00 0.00 0.00 0.00 44.72 43.79 1ony s GLY 106 CO 0.65 -0.98 -0.23 0.14 0.00 0.00 0.00 173.10 172.68 1ony s VAL 107 N -2.18 2.16 -0.18 1.40 1.01 0.05 -1.54 120.40 121.13 1ony s VAL 107 Ca -0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 1ony s VAL 107 Cb -0.05 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 1ony s VAL 107 CO -0.02 0.56 -0.12 -0.69 0.00 0.00 0.00 175.10 174.83 1ony s VAL 108 N 0.08 2.88 -0.17 2.92 1.01 0.17 -0.67 120.40 126.63 1ony s VAL 108 Ca -0.11 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1ony s VAL 108 Cb -0.16 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1ony s VAL 108 CO 0.06 0.49 -0.12 -0.32 0.00 0.00 0.00 175.10 175.21 1ony s MET 109 N 1.03 3.30 -0.10 2.72 0.00 0.58 -1.50 119.30 125.33 1ony s MET 109 Ca -0.01 -0.70 0.14 0.00 0.00 0.00 0.00 55.69 55.12 1ony s MET 109 Cb -0.15 -2.73 0.44 0.00 0.00 0.00 0.00 34.83 32.40 1ony s MET 109 CO -0.02 0.01 1.36 1.28 0.00 0.00 0.00 175.02 177.65 1ony n LEU 110 N 4.11 3.53 0.00 4.11 4.77 -0.68 -0.57 117.00 132.27 1ony n LEU 110 Ca -0.19 -2.57 -0.08 0.00 -0.03 0.00 0.00 56.01 53.14 1ony n LEU 110 Cb 0.52 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1ony n LEU 110 CO 0.29 0.70 -0.04 -0.46 -1.33 0.00 0.00 177.39 176.55 1ony n ASN 111 N -0.02 -0.30 -4.45 -1.43 6.94 -1.26 -4.76 115.26 109.98 1ony n ASN 111 Ca 0.17 -1.92 -0.28 0.00 -0.02 0.00 0.00 54.58 52.53 1ony n ASN 111 Cb 0.70 0.71 -0.12 0.00 -2.36 0.00 0.00 39.78 38.71 1ony n ASN 111 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1ony s ARG 112 N -2.57 1.62 0.40 -3.83 0.52 -1.26 -4.82 118.95 109.01 1ony s ARG 112 Ca 0.17 -1.38 0.15 0.00 -0.52 0.00 0.00 55.73 54.15 1ony s ARG 112 Cb 0.01 -1.96 1.00 0.00 0.52 0.00 0.00 34.95 34.52 1ony s ARG 112 CO 0.12 0.43 1.85 0.28 0.02 0.00 0.00 175.30 178.00 1ony h VAL 113 N 3.36 0.71 -3.49 3.52 2.07 -1.94 -3.39 116.25 117.09 1ony h VAL 113 Ca -0.48 -0.17 -0.52 0.00 0.82 0.00 0.00 66.70 66.35 1ony h VAL 113 Cb 1.19 0.18 -0.33 0.00 -1.52 0.00 0.00 31.29 30.81 1ony h VAL 113 CO 0.46 0.09 -0.82 -0.32 0.02 0.00 0.00 177.57 177.01 1ony s MET 114 N -5.51 1.68 -0.04 1.57 -2.45 -1.26 -0.90 119.30 112.40 1ony s MET 114 Ca -0.09 -0.43 -0.05 0.00 -1.25 0.00 0.00 55.69 53.87 1ony s MET 114 Cb 0.23 -1.40 0.01 0.00 1.25 0.00 0.00 34.83 34.92 1ony s MET 114 CO 0.78 0.05 0.12 -1.21 1.05 0.00 0.00 175.02 175.82 1ony s GLU 115 N 0.57 0.22 -1.73 4.11 2.02 -0.71 -4.81 118.70 118.37 1ony s GLU 115 Ca -0.13 0.03 0.00 0.00 0.02 0.00 0.00 54.97 54.89 1ony s GLU 115 Cb -0.15 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.18 1ony s GLU 115 CO 0.03 -0.04 0.00 1.63 0.02 0.00 0.00 175.26 176.91 1ony n LYS 116 N 2.66 -1.71 -1.01 1.61 5.02 -1.26 -1.91 118.16 121.56 1ony n LYS 116 Ca -0.15 0.97 -0.00 0.00 -2.02 0.00 0.00 58.31 57.11 1ony n LYS 116 Cb 0.58 -5.55 -0.00 0.00 -0.02 0.00 0.00 35.03 30.04 1ony n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ony n GLY 117 N -0.81 0.42 3.24 0.72 0.00 -1.26 -5.02 105.19 102.47 1ony n GLY 117 Ca -0.22 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 1ony n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ony s SER 118 N -2.06 1.37 -0.06 1.61 1.04 -0.81 -5.12 113.70 109.68 1ony s SER 118 Ca 0.00 -1.13 -0.30 0.00 0.48 0.00 0.00 55.95 55.01 1ony s SER 118 Cb 0.00 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 1ony s SER 118 CO 0.00 -0.51 1.09 -0.76 0.98 0.00 0.00 173.24 174.05 1ony s LEU 119 N -3.17 4.29 0.00 2.42 2.01 -1.26 -1.73 118.68 121.24 1ony s LEU 119 Ca 0.21 1.70 0.08 0.00 0.01 0.00 0.00 54.13 56.13 1ony s LEU 119 Cb 0.05 -3.56 0.01 0.00 0.01 0.00 0.00 46.19 42.70 1ony s LEU 119 CO 0.03 -0.47 0.60 0.29 1.01 0.00 0.00 176.35 177.81 1ony n LYS 120 N 4.83 1.89 -3.60 1.70 4.76 -0.08 -4.96 118.16 122.71 1ony n LYS 120 Ca 0.09 -0.62 -0.09 0.00 -2.87 0.00 0.00 58.31 54.82 1ony n LYS 120 Cb 0.48 -1.05 -0.06 0.00 -1.84 0.00 0.00 35.03 32.56 1ony n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ony s ALA 122 N -0.66 2.97 -1.07 0.00 0.00 -0.62 -4.72 121.76 117.67 1ony s ALA 122 Ca 0.01 0.27 -0.22 0.00 0.00 0.00 0.00 51.96 52.01 1ony s ALA 122 Cb -0.02 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 19.99 1ony s ALA 122 CO -0.02 -0.36 1.55 -1.14 0.00 0.00 0.00 175.76 175.79 1ony s GLN 123 N -3.97 3.58 0.00 0.00 2.00 -1.26 -4.78 119.66 115.23 1ony s GLN 123 Ca 0.61 -1.23 0.28 0.00 -2.00 0.00 0.00 55.36 53.02 1ony s GLN 123 Cb -0.12 -5.37 1.08 0.00 0.80 0.00 0.00 33.01 29.41 1ony s GLN 123 CO 0.31 -2.33 1.76 2.48 -0.50 0.00 0.00 175.29 177.01 1ony n TYR 124 N 9.23 0.00 -4.22 1.67 0.18 -1.26 -4.89 117.16 117.87 1ony n TYR 124 Ca 0.37 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.96 1ony n TYR 124 Cb 0.50 -0.05 -0.12 0.00 -0.38 0.00 0.00 39.34 39.29 1ony n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1ony s TRP 125 N -2.16 1.39 0.25 -3.48 -2.14 -1.26 -5.06 118.94 106.47 1ony s TRP 125 Ca 0.35 -0.50 -0.30 0.00 2.66 0.00 0.00 56.10 58.31 1ony s TRP 125 Cb 0.21 -0.75 -0.09 0.00 -3.10 0.00 0.00 33.47 29.73 1ony s TRP 125 CO 0.39 0.12 1.21 -1.25 -2.66 0.00 0.00 176.95 174.76 1ony s PRO 126 N -2.22 4.49 0.04 3.25 0.04 -1.26 -4.96 135.00 134.38 1ony s PRO 126 Ca 0.05 1.96 0.23 0.00 0.04 0.00 0.00 61.00 63.28 1ony s PRO 126 Cb -0.07 -3.18 0.18 0.00 0.04 0.00 0.00 34.50 31.46 1ony s PRO 126 CO 0.03 -0.04 1.15 1.04 0.04 0.00 0.00 177.00 179.22 1ony n GLN 127 N 1.73 0.18 -4.15 4.56 6.02 -1.26 -4.63 117.38 119.83 1ony n GLN 127 Ca 0.02 0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.84 1ony n GLN 127 Cb 0.44 -1.57 -0.15 0.00 1.02 0.00 0.00 30.24 29.97 1ony n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1ony s LYS 128 N -3.12 0.57 0.25 -1.09 1.02 -1.26 -5.05 119.74 111.05 1ony s LYS 128 Ca 0.06 -0.13 -0.05 0.00 0.02 0.00 0.00 55.97 55.88 1ony s LYS 128 Cb 0.15 -0.59 0.47 0.00 -0.52 0.00 0.00 37.83 37.34 1ony s LYS 128 CO 0.77 0.02 1.70 0.93 -0.92 0.00 0.00 175.35 177.84 1ony h GLU 129 N 6.59 0.30 0.00 1.68 3.07 -1.91 -0.59 114.58 123.72 1ony h GLU 129 Ca -0.34 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1ony h GLU 129 Cb 1.17 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1ony h GLU 129 CO 0.49 0.20 0.00 -0.85 -1.40 0.00 0.00 179.01 177.45 1ony n GLU 130 N -5.12 0.77 -3.89 2.33 0.00 -1.26 -4.23 120.64 109.24 1ony n GLU 130 Ca 0.14 0.01 -0.28 0.00 0.00 0.00 0.00 57.16 57.03 1ony n GLU 130 Cb 0.46 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.28 1ony n GLU 130 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1ony s LYS 131 N -2.13 2.44 0.75 3.44 -0.14 -0.23 -5.09 119.74 118.78 1ony s LYS 131 Ca 0.39 -3.33 -0.11 0.00 -1.36 0.00 0.00 55.97 51.55 1ony s LYS 131 Cb 0.19 -3.39 0.04 0.00 -1.68 0.00 0.00 37.83 32.99 1ony s LYS 131 CO 0.35 -1.29 1.09 -1.83 -0.76 0.00 0.00 175.35 172.91 1ony s GLU 132 N -1.43 2.50 0.00 1.68 1.03 -1.26 -4.53 118.70 116.69 1ony s GLU 132 Ca 0.25 0.62 0.04 0.00 0.03 0.00 0.00 54.97 55.90 1ony s GLU 132 Cb -0.04 -1.97 -0.03 0.00 -0.80 0.00 0.00 34.13 31.29 1ony s GLU 132 CO -0.17 -1.32 -0.09 -1.64 -1.33 0.00 0.00 175.26 170.71 1ony s MET 133 N -5.21 2.48 -0.09 -4.83 -1.94 0.55 -4.97 119.30 105.29 1ony s MET 133 Ca 0.59 -0.76 0.01 0.00 -1.71 0.00 0.00 55.69 53.83 1ony s MET 133 Cb -0.13 -2.45 0.02 0.00 2.01 0.00 0.00 34.83 34.28 1ony s MET 133 CO 0.53 0.60 -0.12 0.42 -0.01 0.00 0.00 175.02 176.44 1ony s ILE 134 N -0.97 1.19 -0.66 2.53 1.01 -1.26 0.05 121.20 123.10 1ony s ILE 134 Ca 0.16 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 1ony s ILE 134 Cb -0.11 -1.12 0.17 0.00 0.01 0.00 0.00 42.46 41.41 1ony s ILE 134 CO 0.07 0.38 0.59 -0.36 0.00 0.00 0.00 174.94 175.61 1ony s PHE 135 N 0.99 3.51 0.36 3.97 0.08 0.58 -4.93 117.98 122.53 1ony s PHE 135 Ca -0.08 -1.80 0.03 0.00 0.12 0.00 0.00 56.93 55.20 1ony s PHE 135 Cb -0.15 -3.71 0.67 0.00 -0.57 0.00 0.00 43.02 39.26 1ony s PHE 135 CO -0.00 -0.99 2.01 0.93 -0.10 0.00 0.00 175.22 177.07 1ony h GLU 136 N 8.19 0.76 -0.33 0.44 5.08 -1.96 0.92 114.58 127.68 1ony h GLU 136 Ca -0.09 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1ony h GLU 136 Cb 1.06 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1ony h GLU 136 CO 0.86 0.52 -0.04 0.38 -1.00 0.00 0.00 179.01 179.73 1ony h ASP 137 N 0.78 0.50 -0.26 1.42 2.03 -1.97 -3.04 116.42 115.89 1ony h ASP 137 Ca 0.21 -0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1ony h ASP 137 Cb -0.06 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.31 1ony h ASP 137 CO -0.04 0.60 0.00 0.35 -1.03 0.00 0.00 179.24 179.12 1ony n THR 138 N -4.25 0.79 -3.74 1.15 -2.24 -1.10 -5.01 114.28 99.88 1ony n THR 138 Ca 0.01 -0.89 -0.24 0.00 -2.27 0.00 0.00 64.05 60.66 1ony n THR 138 Cb 0.27 0.65 0.02 0.00 -2.10 0.00 0.00 70.33 69.18 1ony n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ony n ASN 139 N 0.47 -1.80 -4.32 3.42 5.15 0.27 -4.95 115.26 113.51 1ony n ASN 139 Ca 0.10 -0.89 -0.26 0.00 -0.60 0.00 0.00 54.58 52.92 1ony n ASN 139 Cb 0.38 -3.74 -0.13 0.00 -0.53 0.00 0.00 39.78 35.76 1ony n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ony s LEU 140 N -6.66 2.28 -0.07 1.20 1.43 -0.90 -2.31 118.68 113.66 1ony s LEU 140 Ca 0.09 -0.68 0.06 0.00 -1.03 0.00 0.00 54.13 52.57 1ony s LEU 140 Cb -0.03 -1.02 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 1ony s LEU 140 CO 0.84 0.12 -0.25 -0.75 0.23 0.00 0.00 176.35 176.54 1ony s LYS 141 N -1.84 2.66 -0.09 1.70 2.20 -0.47 -0.31 119.74 123.59 1ony s LYS 141 Ca 0.09 -0.90 0.03 0.00 -0.36 0.00 0.00 55.97 54.83 1ony s LYS 141 Cb -0.10 -2.19 0.01 0.00 -1.51 0.00 0.00 37.83 34.04 1ony s LYS 141 CO 0.04 0.33 -0.16 -1.17 -0.36 0.00 0.00 175.35 174.04 1ony s LEU 142 N -0.04 1.77 -0.06 5.43 2.96 0.11 -0.55 118.68 128.30 1ony s LEU 142 Ca -0.07 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1ony s LEU 142 Cb -0.15 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.51 1ony s LEU 142 CO 0.05 0.06 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.14 1ony s THR 143 N 0.68 1.04 -0.21 3.68 2.01 -0.33 -0.33 115.64 122.18 1ony s THR 143 Ca -0.13 -0.43 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 1ony s THR 143 Cb -0.16 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 1ony s THR 143 CO 0.04 0.33 1.25 -0.22 -0.69 0.00 0.00 174.62 175.33 1ony s LEU 144 N 0.66 4.09 -0.16 4.42 2.96 -1.26 -0.70 118.68 128.69 1ony s LEU 144 Ca -0.13 1.53 0.03 0.00 -0.22 0.00 0.00 54.13 55.34 1ony s LEU 144 Cb -0.15 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.77 1ony s LEU 144 CO 0.03 -0.84 0.18 -0.38 -1.32 0.00 0.00 176.35 174.02 1ony n ILE 145 N 5.60 1.60 -3.52 6.68 2.08 0.07 -4.24 119.36 127.63 1ony n ILE 145 Ca 0.14 -0.69 -0.08 0.00 0.56 0.00 0.00 62.75 62.69 1ony n ILE 145 Cb 0.45 -1.31 -0.02 0.00 -0.75 0.00 0.00 39.64 38.01 1ony n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1ony s SER 146 N -6.47 -0.32 -0.02 4.38 1.04 -1.09 -4.98 113.70 106.25 1ony s SER 146 Ca -0.21 -0.00 -0.03 0.00 0.48 0.00 0.00 55.95 56.18 1ony s SER 146 Cb 0.07 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1ony s SER 146 CO 0.73 -0.55 0.07 -0.70 0.98 0.00 0.00 173.24 173.78 1ony s GLU 147 N -2.99 0.21 -0.31 4.02 2.12 -1.26 -0.24 118.70 120.24 1ony s GLU 147 Ca 0.06 -0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.26 1ony s GLU 147 Cb -0.01 0.09 0.10 0.00 0.26 0.00 0.00 34.13 34.57 1ony s GLU 147 CO -0.08 -0.04 0.11 0.34 -0.54 0.00 0.00 175.26 175.05 1ony s ASP 148 N -0.49 3.91 -0.30 -1.70 -1.08 0.19 -5.00 116.67 112.20 1ony s ASP 148 Ca -0.06 -1.60 -0.23 0.00 -0.52 0.00 0.00 52.55 50.14 1ony s ASP 148 Cb -0.04 -0.76 -0.00 0.00 -1.46 0.00 0.00 42.92 40.67 1ony s ASP 148 CO 0.00 -0.42 0.78 -0.63 0.52 0.00 0.00 175.17 175.42 1ony s ILE 149 N 1.68 4.82 0.52 4.11 1.01 -1.26 -1.73 121.20 130.34 1ony s ILE 149 Ca 0.10 1.21 0.05 0.00 0.00 0.00 0.00 60.65 62.01 1ony s ILE 149 Cb -0.17 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.19 1ony s ILE 149 CO -0.27 -0.21 0.30 -0.54 0.00 0.00 0.00 174.94 174.23 1ony s LYS 150 N 2.90 2.25 0.19 2.79 -0.14 -0.02 -5.01 119.74 122.71 1ony s LYS 150 Ca 0.32 -2.05 -0.11 0.00 -1.36 0.00 0.00 55.97 52.78 1ony s LYS 150 Cb -0.14 -1.99 0.11 0.00 -1.68 0.00 0.00 37.83 34.13 1ony s LYS 150 CO 0.12 -0.49 1.78 0.66 -0.76 0.00 0.00 175.35 176.66 1ony h SER 151 N 0.95 0.88 -0.00 2.83 4.64 -2.03 -3.30 113.55 117.52 1ony h SER 151 Ca -0.39 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1ony h SER 151 Cb 1.30 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1ony h SER 151 CO 0.62 0.76 -0.41 0.00 -0.87 0.00 0.00 176.83 176.93 1ony n TYR 152 N -4.46 0.00 -3.59 4.77 4.11 -1.26 -4.85 117.16 111.87 1ony n TYR 152 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.87 1ony n TYR 152 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.44 1ony n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1ony s TYR 153 N -1.86 -0.34 -0.02 -3.48 -0.85 -1.24 -2.24 117.35 107.31 1ony s TYR 153 Ca 0.08 0.09 0.04 0.00 -0.52 0.00 0.00 57.07 56.76 1ony s TYR 153 Cb 0.10 0.60 -0.01 0.00 0.38 0.00 0.00 41.96 43.03 1ony s TYR 153 CO 0.40 -0.84 -0.15 0.99 -1.52 0.00 0.00 175.55 174.43 1ony s THR 154 N -3.54 1.20 -0.13 -3.49 2.01 0.37 -0.84 115.64 111.23 1ony s THR 154 Ca 0.06 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.44 1ony s THR 154 Cb -0.02 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 1ony s THR 154 CO -0.05 0.35 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.40 1ony s VAL 155 N -0.14 2.96 0.03 3.82 1.01 -0.71 -0.60 120.40 126.77 1ony s VAL 155 Ca 0.01 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1ony s VAL 155 Cb -0.08 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1ony s VAL 155 CO 0.00 0.52 -0.25 -0.13 0.00 0.00 0.00 175.10 175.25 1ony s ARG 156 N 0.41 1.79 -0.26 2.72 0.52 0.61 -0.63 118.95 124.11 1ony s ARG 156 Ca -0.11 -1.01 -0.10 0.00 -0.52 0.00 0.00 55.73 53.99 1ony s ARG 156 Cb -0.16 -1.88 -0.05 0.00 0.52 0.00 0.00 34.95 33.38 1ony s ARG 156 CO 0.05 0.50 0.16 -1.14 0.02 0.00 0.00 175.30 174.88 1ony s GLN 157 N -1.03 3.95 0.14 3.54 0.74 0.67 -0.76 119.66 126.91 1ony s GLN 157 Ca 0.10 -0.33 0.10 0.00 0.05 0.00 0.00 55.36 55.28 1ony s GLN 157 Cb -0.10 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.43 1ony s GLN 157 CO 0.01 -0.07 -0.23 -0.51 -0.55 0.00 0.00 175.29 173.94 1ony s LEU 158 N 1.41 2.35 -0.19 3.68 1.43 0.26 -0.75 118.68 126.88 1ony s LEU 158 Ca 0.07 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.39 1ony s LEU 158 Cb -0.15 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1ony s LEU 158 CO 0.07 0.09 -0.13 -0.70 0.23 0.00 0.00 176.35 175.91 1ony s GLU 159 N -2.23 3.19 -0.18 1.70 2.12 0.13 -0.20 118.70 123.22 1ony s GLU 159 Ca 0.13 -0.73 -0.06 0.00 0.36 0.00 0.00 54.97 54.66 1ony s GLU 159 Cb -0.09 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.53 1ony s GLU 159 CO 0.06 -0.15 0.02 -1.17 -0.54 0.00 0.00 175.26 173.48 1ony s LEU 160 N 1.24 3.48 -0.10 2.70 2.96 -0.13 -1.19 118.68 127.64 1ony s LEU 160 Ca 0.03 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 1ony s LEU 160 Cb -0.14 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.68 1ony s LEU 160 CO -0.06 0.13 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.17 1ony s GLU 161 N 0.64 2.88 -0.84 1.98 2.12 0.29 -0.92 118.70 124.85 1ony s GLU 161 Ca 0.01 -0.82 -0.23 0.00 0.36 0.00 0.00 54.97 54.29 1ony s GLU 161 Cb -0.14 -2.22 0.06 0.00 0.26 0.00 0.00 34.13 32.09 1ony s GLU 161 CO 0.02 0.12 1.24 1.21 -0.54 0.00 0.00 175.26 177.31 1ony s ASN 162 N 0.49 6.35 0.57 -1.70 3.84 0.46 -1.37 114.94 123.57 1ony s ASN 162 Ca -0.16 -1.14 0.28 0.00 0.21 0.00 0.00 52.86 52.05 1ony s ASN 162 Cb -0.17 -2.51 1.49 0.00 -0.55 0.00 0.00 41.25 39.51 1ony s ASN 162 CO 0.06 -1.52 1.95 -0.07 -2.79 0.00 0.00 177.10 174.73 1ony h LEU 163 N 12.17 0.00 -0.58 3.21 3.38 -1.74 0.82 115.31 132.57 1ony h LEU 163 Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1ony h LEU 163 Cb 1.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1ony h LEU 163 CO 1.28 0.00 -0.06 0.74 0.09 0.00 0.00 178.44 180.49 1ony h THR 164 N 0.00 1.27 -0.00 0.22 2.02 -1.89 -3.29 112.91 111.23 1ony h THR 164 Ca 0.22 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1ony h THR 164 Cb 1.08 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1ony h THR 164 CO -0.00 0.44 -0.42 0.35 0.37 0.00 0.00 175.52 176.26 1ony n THR 165 N -4.16 0.00 -1.01 3.16 -2.24 -0.45 -4.98 114.28 104.61 1ony n THR 165 Ca 0.02 -0.29 -0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1ony n THR 165 Cb 0.38 1.06 -0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1ony n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ony n GLN 166 N -0.82 -0.95 -2.60 -0.78 6.02 0.27 -4.99 117.38 113.54 1ony n GLN 166 Ca 0.03 0.26 -0.35 0.00 -0.01 0.00 0.00 57.00 56.93 1ony n GLN 166 Cb 0.21 -3.99 -0.04 0.00 1.02 0.00 0.00 30.24 27.44 1ony n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1ony s GLU 167 N -1.02 4.04 0.06 -1.09 2.12 -1.18 -4.83 118.70 116.80 1ony s GLU 167 Ca 0.00 1.37 0.02 0.00 0.36 0.00 0.00 54.97 56.72 1ony s GLU 167 Cb 0.00 -2.31 -0.03 0.00 0.26 0.00 0.00 34.13 32.05 1ony s GLU 167 CO 0.00 -0.22 -0.07 0.95 -0.54 0.00 0.00 175.26 175.38 1ony s THR 168 N -1.88 0.53 0.01 -1.70 -4.23 -1.26 -0.40 115.64 106.71 1ony s THR 168 Ca 0.62 -1.45 -0.08 0.00 -1.18 0.00 0.00 61.69 59.60 1ony s THR 168 Cb -0.17 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1ony s THR 168 CO 0.22 -0.63 0.16 -0.13 -0.54 0.00 0.00 174.62 173.69 1ony s ARG 169 N -2.63 0.53 -0.13 3.99 0.52 -0.09 -4.99 118.95 116.15 1ony s ARG 169 Ca -0.01 -0.42 -0.19 0.00 -0.52 0.00 0.00 55.73 54.59 1ony s ARG 169 Cb -0.03 0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.63 1ony s ARG 169 CO -0.03 -0.13 0.52 -2.00 0.02 0.00 0.00 175.30 173.68 1ony s GLU 170 N -1.55 4.32 -0.10 3.54 2.12 -1.26 -0.95 118.70 124.81 1ony s GLU 170 Ca -0.13 0.50 0.03 0.00 0.36 0.00 0.00 54.97 55.73 1ony s GLU 170 Cb -0.06 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 1ony s GLU 170 CO 0.01 0.08 -0.20 0.42 -0.54 0.00 0.00 175.26 175.02 1ony s ILE 171 N 0.87 2.40 -0.16 -3.70 -1.09 0.72 -4.91 121.20 115.33 1ony s ILE 171 Ca 0.27 -0.91 -0.14 0.00 -2.23 0.00 0.00 60.65 57.65 1ony s ILE 171 Cb -0.15 -1.94 -0.05 0.00 -1.58 0.00 0.00 42.46 38.74 1ony s ILE 171 CO 0.11 0.55 0.29 -0.76 -1.23 0.00 0.00 174.94 173.90 1ony s LEU 172 N 0.23 4.24 -0.32 2.97 1.43 -0.42 -0.57 118.68 126.24 1ony s LEU 172 Ca -0.13 0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 53.42 1ony s LEU 172 Cb -0.16 -2.37 0.03 0.00 0.03 0.00 0.00 46.19 43.72 1ony s LEU 172 CO 0.07 0.10 0.07 -2.28 0.23 0.00 0.00 176.35 174.54 1ony s HIS 173 N 0.47 3.22 -0.37 0.29 2.46 0.06 -0.77 115.29 120.66 1ony s HIS 173 Ca 0.16 -1.44 -0.12 0.00 0.47 0.00 0.00 55.06 54.13 1ony s HIS 173 Cb -0.13 -2.22 0.01 0.00 -0.13 0.00 0.00 32.58 30.11 1ony s HIS 173 CO 0.04 -0.72 0.22 -0.06 -2.47 0.00 0.00 174.74 171.75 1ony s PHE 174 N 1.38 3.23 -0.31 3.88 0.08 0.15 -0.29 117.98 126.10 1ony s PHE 174 Ca -0.01 -0.72 -0.03 0.00 0.12 0.00 0.00 56.93 56.28 1ony s PHE 174 Cb -0.19 -2.47 0.05 0.00 -0.57 0.00 0.00 43.02 39.84 1ony s PHE 174 CO 0.01 -0.57 0.04 -1.58 -0.10 0.00 0.00 175.22 173.02 1ony s HIS 175 N 1.61 3.27 -0.27 0.36 5.65 0.23 -0.31 115.29 125.83 1ony s HIS 175 Ca 0.04 -1.77 -0.26 0.00 0.25 0.00 0.00 55.06 53.32 1ony s HIS 175 Cb -0.19 -2.20 0.00 0.00 -1.18 0.00 0.00 32.58 29.02 1ony s HIS 175 CO 0.08 -0.79 0.92 -0.47 -0.65 0.00 0.00 174.74 173.83 1ony s TYR 176 N 1.29 3.26 -2.27 3.88 6.14 0.26 -0.48 117.35 129.44 1ony s TYR 176 Ca -0.04 1.16 0.19 0.00 0.64 0.00 0.00 57.07 59.02 1ony s TYR 176 Cb -0.20 -3.28 0.12 0.00 0.42 0.00 0.00 41.96 39.03 1ony s TYR 176 CO -0.00 -0.53 1.08 0.25 0.64 0.00 0.00 175.55 176.98 1ony n THR 177 N 5.46 0.00 -1.04 4.34 -2.24 -0.95 -4.07 114.28 115.78 1ony n THR 177 Ca 0.08 -0.46 0.08 0.00 -2.27 0.00 0.00 64.05 61.48 1ony n THR 177 Cb 0.47 1.36 0.25 0.00 -2.10 0.00 0.00 70.33 70.31 1ony n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ony n THR 178 N 0.85 2.28 -2.31 4.28 -2.24 -1.23 -4.96 114.28 110.96 1ony n THR 178 Ca 0.11 -1.98 -0.42 0.00 -2.27 0.00 0.00 64.05 59.49 1ony n THR 178 Cb 0.46 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 1ony n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1ony s TRP 179 N -2.87 3.17 0.56 4.78 -0.11 -1.26 -4.96 118.94 118.25 1ony s TRP 179 Ca 0.42 1.06 -0.21 0.00 1.22 0.00 0.00 56.10 58.59 1ony s TRP 179 Cb 0.34 -3.55 -0.04 0.00 -1.50 0.00 0.00 33.47 28.71 1ony s TRP 179 CO 0.08 -1.89 1.29 -0.35 -4.62 0.00 0.00 176.95 171.45 1ony n PRO 180 N 4.61 1.49 -0.29 5.86 -0.04 -1.26 -4.92 135.00 140.44 1ony n PRO 180 Ca 0.11 0.55 0.03 0.00 -0.04 0.00 0.00 63.50 64.16 1ony n PRO 180 Cb 0.45 -2.50 0.24 0.00 -0.04 0.00 0.00 33.50 31.64 1ony n PRO 180 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1ony h ASP 181 N 1.18 0.90 -3.82 3.54 3.45 -2.00 -3.42 116.42 116.25 1ony h ASP 181 Ca -0.50 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.41 1ony h ASP 181 Cb 1.32 -0.19 -0.20 0.00 -0.56 0.00 0.00 39.33 39.70 1ony h ASP 181 CO 0.56 0.59 -0.80 -0.36 -1.57 0.00 0.00 179.24 177.65 1ony s PHE 182 N -5.90 1.84 0.00 4.55 0.40 -1.26 -4.94 117.98 112.67 1ony s PHE 182 Ca -0.11 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 1ony s PHE 182 Cb 0.19 -0.96 0.00 0.00 0.51 0.00 0.00 43.02 42.77 1ony s PHE 182 CO 0.80 0.28 0.00 0.41 0.70 0.00 0.00 175.22 177.41 1ony n GLY 183 N 0.65 -0.02 3.48 4.36 0.00 -1.26 -4.92 105.19 107.47 1ony n GLY 183 Ca -0.16 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 1ony n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ony s VAL 184 N 0.00 1.47 0.74 1.61 -7.23 -1.26 -4.78 120.40 110.95 1ony s VAL 184 Ca 0.00 -2.03 -0.15 0.00 -1.81 0.00 0.00 61.98 57.98 1ony s VAL 184 Cb 0.00 -2.74 0.04 0.00 0.56 0.00 0.00 36.38 34.24 1ony s VAL 184 CO 0.00 -0.08 1.19 -2.65 -0.31 0.00 0.00 175.10 173.24 1ony n PRO 185 N -0.71 0.57 0.15 4.82 -0.02 -1.26 -4.89 135.00 133.65 1ony n PRO 185 Ca -0.04 0.26 -0.14 0.00 -2.02 0.00 0.00 63.50 61.56 1ony n PRO 185 Cb 0.66 -2.43 -0.08 0.00 -0.02 0.00 0.00 33.50 31.63 1ony n PRO 185 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1ony h GLU 186 N -0.28 -0.31 -5.35 -0.52 9.09 -2.00 -3.44 114.58 111.77 1ony h GLU 186 Ca -0.48 0.02 -0.43 0.00 0.05 0.00 0.00 59.36 58.52 1ony h GLU 186 Cb 1.32 0.07 -0.23 0.00 -1.65 0.00 0.00 28.75 28.26 1ony h GLU 186 CO 0.49 -0.14 -0.79 -1.54 0.05 0.00 0.00 179.01 177.07 1ony s SER 187 N -4.98 1.69 0.00 3.06 1.04 -1.26 -5.03 113.70 108.22 1ony s SER 187 Ca -0.15 -0.54 0.25 0.00 0.48 0.00 0.00 55.95 55.99 1ony s SER 187 Cb 0.04 -0.08 1.42 0.00 0.10 0.00 0.00 66.02 67.50 1ony s SER 187 CO 0.63 -0.02 1.84 -0.81 0.98 0.00 0.00 173.24 175.86 1ony n PRO 188 N 1.56 0.66 -0.08 4.02 -0.04 -1.26 -4.31 135.00 135.55 1ony n PRO 188 Ca -0.20 0.02 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 1ony n PRO 188 Cb 0.54 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 1ony n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ony h ALA 189 N 3.45 -0.66 -0.36 0.55 0.00 -1.97 0.56 119.26 120.82 1ony h ALA 189 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ony h ALA 189 Cb 0.06 0.98 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1ony h ALA 189 CO 0.00 -0.84 0.01 0.66 0.00 0.00 0.00 179.25 179.08 1ony h SER 190 N -0.30 0.53 -0.36 0.00 4.64 -2.00 -0.62 113.55 115.44 1ony h SER 190 Ca 0.04 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 1ony h SER 190 Cb 0.43 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1ony h SER 190 CO -0.39 0.59 0.12 0.15 -0.87 0.00 0.00 176.83 176.43 1ony h PHE 191 N 0.54 0.57 -0.66 4.77 3.57 -1.64 -0.83 116.94 123.26 1ony h PHE 191 Ca 0.12 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1ony h PHE 191 Cb 0.33 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1ony h PHE 191 CO 0.01 0.55 0.19 -0.07 -2.23 0.00 0.00 178.31 176.76 1ony h LEU 192 N 0.43 0.99 -0.78 0.59 3.38 0.55 -0.66 115.31 119.81 1ony h LEU 192 Ca 0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ony h LEU 192 Cb 0.24 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1ony h LEU 192 CO -0.01 0.95 0.49 0.78 0.09 0.00 0.00 178.44 180.74 1ony h ASN 193 N 0.98 0.93 -0.16 -0.43 4.21 -0.88 -0.83 115.58 119.39 1ony h ASN 193 Ca 0.21 -0.05 0.01 0.00 1.21 0.00 0.00 56.30 57.68 1ony h ASN 193 Cb 0.33 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 1ony h ASN 193 CO -0.00 0.70 0.08 0.15 -1.29 0.00 0.00 177.43 177.07 1ony h PHE 194 N 1.07 0.16 -0.48 1.19 3.57 -0.75 -0.95 116.94 120.76 1ony h PHE 194 Ca 0.28 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.86 1ony h PHE 194 Cb -0.07 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 1ony h PHE 194 CO -0.01 0.09 0.15 1.25 -2.23 0.00 0.00 178.31 177.57 1ony h LEU 195 N 0.18 0.13 -1.45 0.59 5.85 -0.47 -0.81 115.31 119.33 1ony h LEU 195 Ca 0.06 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1ony h LEU 195 Cb 0.00 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1ony h LEU 195 CO -0.04 0.11 -0.28 -0.26 -0.34 0.00 0.00 178.44 177.63 1ony h PHE 196 N 0.32 0.00 -0.44 1.25 -1.00 -0.82 -1.45 116.94 114.80 1ony h PHE 196 Ca 0.23 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.90 1ony h PHE 196 Cb 0.25 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 1ony h PHE 196 CO -0.17 0.28 -0.15 0.87 -1.61 0.00 0.00 178.31 177.52 1ony h LYS 197 N 0.00 0.83 -0.38 1.51 6.56 0.20 0.11 116.57 125.39 1ony h LYS 197 Ca -0.00 -0.30 -0.08 0.00 -1.06 0.00 0.00 60.65 59.20 1ony h LYS 197 Cb 0.51 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 1ony h LYS 197 CO 0.04 0.93 -0.08 0.28 -2.06 0.00 0.00 179.45 178.56 1ony h VAL 198 N 0.74 1.27 0.24 0.50 2.07 -0.56 -2.84 116.25 117.67 1ony h VAL 198 Ca 0.11 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1ony h VAL 198 Cb 0.66 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1ony h VAL 198 CO 0.05 0.38 -0.13 0.03 0.02 0.00 0.00 177.57 177.92 1ony h ARG 199 N 0.53 -0.33 -0.28 1.57 3.08 -0.99 -2.53 114.38 115.44 1ony h ARG 199 Ca 0.10 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.25 1ony h ARG 199 Cb 0.58 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1ony h ARG 199 CO 0.03 -0.22 0.35 0.93 -1.07 0.00 0.00 179.97 179.99 1ony h GLU 200 N -0.34 0.00 0.00 0.04 5.08 -0.74 0.76 114.58 119.38 1ony h GLU 200 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ony h GLU 200 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1ony h GLU 200 CO 0.04 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.92 1ony n SER 201 N -3.62 0.82 0.00 1.42 3.41 -0.96 -4.92 113.62 109.76 1ony n SER 201 Ca 0.04 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1ony n SER 201 Cb 0.49 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1ony n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ony n GLY 202 N 1.25 0.79 0.30 5.00 0.00 0.26 -4.93 105.19 107.86 1ony n GLY 202 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.26 1ony n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ony h SER 203 N 0.00 0.00 -0.17 1.61 0.02 -1.76 -1.87 113.55 111.38 1ony h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ony h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ony h SER 203 CO 0.00 0.03 0.00 0.18 -1.14 0.00 0.00 176.83 175.90 1ony n LEU 204 N -3.29 3.02 -4.84 5.07 4.77 -1.26 -4.06 117.00 116.42 1ony n LEU 204 Ca -0.02 -1.14 -0.33 0.00 -0.03 0.00 0.00 56.01 54.49 1ony n LEU 204 Cb 0.18 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1ony n LEU 204 CO 0.25 0.57 0.45 -0.44 -1.33 0.00 0.00 177.39 176.89 1ony s SER 205 N -1.79 6.85 0.66 -1.43 0.01 -0.70 -4.84 113.70 112.45 1ony s SER 205 Ca 0.33 1.37 0.34 0.00 1.31 0.00 0.00 55.95 59.30 1ony s SER 205 Cb 0.21 -2.41 1.85 0.00 0.21 0.00 0.00 66.02 65.89 1ony s SER 205 CO 0.31 -0.19 2.06 1.55 0.41 0.00 0.00 173.24 177.39 1ony h PRO 206 N 2.41 0.00 0.00 12.44 0.13 -1.90 -1.92 132.00 143.16 1ony h PRO 206 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ony h PRO 206 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ony h PRO 206 CO 0.65 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.57 1ony n GLU 207 N -3.07 0.27 -4.47 0.86 0.00 -1.26 -4.78 120.64 108.19 1ony n GLU 207 Ca -0.01 0.09 -0.23 0.00 0.00 0.00 0.00 57.16 57.00 1ony n GLU 207 Cb 0.30 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.14 1ony n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1ony s HIS 208 N -2.61 2.15 1.25 -1.84 3.76 -0.72 -5.13 115.29 112.14 1ony s HIS 208 Ca 0.19 -0.59 -0.19 0.00 -0.15 0.00 0.00 55.06 54.32 1ony s HIS 208 Cb 0.14 -1.20 0.30 0.00 1.11 0.00 0.00 32.58 32.93 1ony s HIS 208 CO 0.33 0.43 1.05 0.20 -0.85 0.00 0.00 174.74 175.90 1ony s GLY 209 N -3.51 1.53 0.42 -2.22 0.00 -0.18 -4.89 107.32 98.46 1ony s GLY 209 Ca 0.30 -0.79 -0.25 0.00 0.00 0.00 0.00 44.72 43.98 1ony s GLY 209 CO 0.14 0.09 1.25 2.56 0.00 0.00 0.00 173.10 177.14 1ony s PRO 210 N -5.19 3.92 0.48 2.90 0.04 -1.26 -4.39 135.00 131.50 1ony s PRO 210 Ca 0.70 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 63.53 1ony s PRO 210 Cb -0.13 -2.67 -0.07 0.00 0.04 0.00 0.00 34.50 31.68 1ony s PRO 210 CO 0.57 -0.49 1.27 0.54 0.04 0.00 0.00 177.00 178.93 1ony s VAL 211 N -1.33 2.62 -0.27 -0.36 0.11 -1.26 -4.43 120.40 115.48 1ony s VAL 211 Ca 0.58 0.49 -0.11 0.00 -2.93 0.00 0.00 61.98 60.01 1ony s VAL 211 Cb -0.35 -3.26 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 1ony s VAL 211 CO 0.44 0.01 0.20 -0.69 -3.33 0.00 0.00 175.10 171.73 1ony s VAL 212 N -1.40 5.31 -0.08 2.04 1.01 -0.59 -0.93 120.40 125.76 1ony s VAL 212 Ca 0.65 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.87 1ony s VAL 212 Cb -0.35 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1ony s VAL 212 CO 0.43 0.27 -0.21 -0.69 0.00 0.00 0.00 175.10 174.89 1ony s VAL 213 N 1.62 2.37 0.14 2.92 1.01 0.32 0.45 120.40 129.24 1ony s VAL 213 Ca 0.08 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 1ony s VAL 213 Cb -0.15 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1ony s VAL 213 CO 0.10 0.56 0.40 -1.38 0.00 0.00 0.00 175.10 174.78 1ony s HIS 214 N 0.02 -0.10 0.00 5.22 -3.43 -0.56 -1.29 115.29 115.15 1ony s HIS 214 Ca -0.08 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 53.95 1ony s HIS 214 Cb -0.15 0.24 0.00 0.00 -1.43 0.00 0.00 32.58 31.24 1ony s HIS 214 CO 0.05 -0.74 0.00 0.00 -2.00 0.00 0.00 174.74 172.05 1ony n SER 216 N 0.00 1.89 0.05 0.00 2.88 -1.26 -2.61 113.62 114.57 1ony n SER 216 Ca 0.00 0.46 0.11 0.00 -1.33 0.00 0.00 58.87 58.11 1ony n SER 216 Cb 0.00 -0.81 0.01 0.00 -0.75 0.00 0.00 64.21 62.66 1ony n SER 216 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ony n ALA 217 N -4.06 2.95 -2.71 -1.46 0.00 -1.26 -1.56 120.51 112.41 1ony n ALA 217 Ca -0.16 -0.33 -0.08 0.00 0.00 0.00 0.00 53.44 52.87 1ony n ALA 217 Cb 0.46 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.91 1ony n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ony n GLY 218 N 1.28 0.33 0.00 0.00 0.00 -1.24 -4.21 105.19 101.35 1ony n GLY 218 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1ony n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ony n ILE 219 N -3.55 0.00 0.00 -0.61 -5.35 -1.26 -4.43 119.36 104.15 1ony n ILE 219 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1ony n ILE 219 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1ony n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ony n GLY 220 N 1.05 0.84 0.25 3.28 0.00 -1.26 -0.77 105.19 108.57 1ony n GLY 220 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1ony n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ony h ARG 221 N 0.00 0.83 -0.33 1.61 3.08 -1.96 -2.00 114.38 115.60 1ony h ARG 221 Ca 0.00 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.90 1ony h ARG 221 Cb 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1ony h ARG 221 CO 0.00 0.72 0.22 0.77 -1.07 0.00 0.00 179.97 180.61 1ony h SER 222 N 0.75 0.37 -0.32 7.04 0.02 -1.88 -2.00 113.55 117.53 1ony h SER 222 Ca 0.18 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.02 1ony h SER 222 Cb 0.21 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1ony h SER 222 CO -0.01 0.27 -0.19 1.23 -1.14 0.00 0.00 176.83 176.98 1ony h GLY 223 N 0.44 0.76 0.55 -3.77 0.00 -1.15 -2.79 103.07 97.10 1ony h GLY 223 Ca 0.12 -0.71 0.09 0.00 0.00 0.00 0.00 47.33 46.83 1ony h GLY 223 CO -0.03 0.64 0.44 -0.84 0.00 0.00 0.00 176.54 176.75 1ony h THR 224 N 0.46 0.92 0.63 4.70 2.02 -0.69 0.11 112.91 121.07 1ony h THR 224 Ca 0.07 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1ony h THR 224 Cb 0.73 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1ony h THR 224 CO 0.05 0.14 -0.30 0.15 0.37 0.00 0.00 175.52 175.93 1ony h PHE 225 N 0.76 -0.79 -0.58 3.16 3.57 -1.32 -1.73 116.94 120.01 1ony h PHE 225 Ca 0.37 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.80 1ony h PHE 225 Cb 0.32 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1ony h PHE 225 CO -0.07 -0.47 0.13 0.00 -2.23 0.00 0.00 178.31 175.68 1ony h LEU 227 N 0.87 0.03 -0.33 0.00 5.85 -0.95 -1.73 115.31 119.06 1ony h LEU 227 Ca 0.19 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ony h LEU 227 Cb 0.33 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1ony h LEU 227 CO 0.00 0.21 0.16 0.00 -0.34 0.00 0.00 178.44 178.47 1ony h ALA 228 N 0.82 0.40 0.11 1.25 0.00 -1.24 -1.25 119.26 119.34 1ony h ALA 228 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ony h ALA 228 Cb 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ony h ALA 228 CO -0.00 -0.22 -0.14 0.22 0.00 0.00 0.00 179.25 179.11 1ony h ASP 229 N 0.33 -0.37 -0.19 0.00 3.58 -1.30 -1.47 116.42 117.00 1ony h ASP 229 Ca 0.14 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1ony h ASP 229 Cb 0.05 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1ony h ASP 229 CO -0.10 -0.21 0.10 0.74 -2.88 0.00 0.00 179.24 176.89 1ony h THR 230 N -0.29 1.13 -0.51 2.25 2.02 -1.23 -1.13 112.91 115.16 1ony h THR 230 Ca 0.01 -0.37 0.07 0.00 0.77 0.00 0.00 66.41 66.89 1ony h THR 230 Cb 0.29 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 1ony h THR 230 CO -0.06 0.12 0.19 0.00 0.37 0.00 0.00 175.52 176.15 1ony h LEU 232 N 0.38 1.11 -0.64 0.00 3.38 -1.12 -1.69 115.31 116.73 1ony h LEU 232 Ca 0.24 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1ony h LEU 232 Cb 0.24 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1ony h LEU 232 CO -0.23 0.97 0.07 0.25 0.09 0.00 0.00 178.44 179.59 1ony h LEU 233 N 1.18 1.05 -0.69 1.67 5.85 -0.42 -2.70 115.31 121.26 1ony h LEU 233 Ca 0.27 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1ony h LEU 233 Cb 0.20 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1ony h LEU 233 CO -0.03 1.07 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.80 1ony h LEU 234 N 1.00 0.74 -1.82 2.25 3.38 -0.63 -1.47 115.31 118.75 1ony h LEU 234 Ca 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1ony h LEU 234 Cb 0.49 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ony h LEU 234 CO 0.02 0.97 -0.09 0.24 0.09 0.00 0.00 178.44 179.67 1ony h MET 235 N 0.62 0.00 0.00 1.13 2.86 -1.17 -0.42 114.93 117.94 1ony h MET 235 Ca 0.08 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.57 1ony h MET 235 Cb 0.78 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1ony h MET 235 CO 0.06 0.09 -1.02 0.22 1.06 0.00 0.00 176.91 177.32 1ony h ASP 236 N 0.00 0.00 0.13 1.22 3.58 -1.09 -3.39 116.42 116.87 1ony h ASP 236 Ca -0.00 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.08 1ony h ASP 236 Cb 0.40 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1ony h ASP 236 CO 0.01 0.59 -2.02 1.17 -2.88 0.00 0.00 179.24 176.11 1ony n LYS 237 N -3.06 0.75 -2.65 0.28 4.81 -0.61 -4.95 118.16 112.73 1ony n LYS 237 Ca -0.04 0.26 -0.34 0.00 -0.87 0.00 0.00 58.31 57.31 1ony n LYS 237 Cb 0.81 -1.70 -0.05 0.00 0.02 0.00 0.00 35.03 34.11 1ony n LYS 237 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1ony s ARG 238 N -2.56 4.00 0.00 1.64 0.52 -0.25 -4.94 118.95 117.36 1ony s ARG 238 Ca -0.23 1.28 0.29 0.00 -0.52 0.00 0.00 55.73 56.55 1ony s ARG 238 Cb 0.07 -2.17 1.47 0.00 0.52 0.00 0.00 34.95 34.84 1ony s ARG 238 CO 0.76 -0.25 2.00 0.36 0.02 0.00 0.00 175.30 178.19 1ony n LYS 239 N -0.76 0.46 -3.49 3.54 2.85 -1.26 -3.96 118.16 115.54 1ony n LYS 239 Ca 0.08 0.02 -0.27 0.00 -1.05 0.00 0.00 58.31 57.09 1ony n LYS 239 Cb 0.53 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.31 1ony n LYS 239 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1ony n ASP 240 N -1.26 0.59 -0.07 -5.58 2.03 -1.26 -4.98 116.55 106.03 1ony n ASP 240 Ca 0.14 -2.65 0.24 0.00 0.52 0.00 0.00 54.79 53.04 1ony n ASP 240 Cb 0.21 -0.61 0.71 0.00 -0.72 0.00 0.00 41.12 40.71 1ony n ASP 240 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ony h PRO 241 N 5.33 0.00 0.00 -0.67 0.13 -1.76 0.20 132.00 135.23 1ony h PRO 241 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1ony h PRO 241 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1ony h PRO 241 CO 0.48 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.12 1ony n SER 242 N -4.25 0.00 0.10 1.44 3.41 -1.26 -1.86 113.62 111.20 1ony n SER 242 Ca 0.13 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 59.04 1ony n SER 242 Cb 0.77 -0.32 0.24 0.00 -0.26 0.00 0.00 64.21 64.64 1ony n SER 242 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ony h SER 243 N 0.00 0.00 -2.61 4.04 4.64 -1.39 -3.37 113.55 114.86 1ony h SER 243 Ca 0.00 -0.09 -0.56 0.00 -0.47 0.00 0.00 61.79 60.67 1ony h SER 243 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1ony h SER 243 CO 0.00 0.05 1.18 -0.69 -0.87 0.00 0.00 176.83 176.50 1ony s VAL 244 N -3.17 3.52 -0.40 0.95 1.01 -0.78 -4.96 120.40 116.58 1ony s VAL 244 Ca 0.07 0.59 -0.10 0.00 0.00 0.00 0.00 61.98 62.55 1ony s VAL 244 Cb 0.12 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 33.03 1ony s VAL 244 CO 0.68 -0.21 0.23 -0.62 0.00 0.00 0.00 175.10 175.18 1ony s ASP 245 N 4.69 5.64 0.33 3.32 2.15 -1.26 -4.92 116.67 126.62 1ony s ASP 245 Ca 0.77 -1.31 0.05 0.00 0.43 0.00 0.00 52.55 52.49 1ony s ASP 245 Cb -0.29 -1.99 0.70 0.00 -0.30 0.00 0.00 42.92 41.05 1ony s ASP 245 CO 0.31 -0.47 1.88 -0.29 -0.17 0.00 0.00 175.17 176.43 1ony h ILE 246 N 6.02 0.92 -0.63 4.11 2.10 -1.99 -0.31 117.51 127.74 1ony h ILE 246 Ca -0.24 -0.28 -0.06 0.00 1.08 0.00 0.00 64.86 65.36 1ony h ILE 246 Cb 1.09 0.03 -0.03 0.00 -1.09 0.00 0.00 36.82 36.82 1ony h ILE 246 CO 0.72 0.15 0.16 0.11 -1.08 0.00 0.00 178.15 178.21 1ony h LYS 247 N 0.82 0.98 -0.39 2.19 1.57 -1.99 -0.87 116.57 118.88 1ony h LYS 247 Ca 0.43 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.88 1ony h LYS 247 Cb 0.51 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1ony h LYS 247 CO -0.19 0.87 -0.21 -0.22 -0.57 0.00 0.00 179.45 179.13 1ony h LYS 248 N 0.94 0.83 -0.48 3.15 3.64 -1.55 -2.10 116.57 121.00 1ony h LYS 248 Ca 0.20 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1ony h LYS 248 Cb 0.33 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1ony h LYS 248 CO -0.00 1.00 0.18 0.28 -2.27 0.00 0.00 179.45 178.65 1ony h VAL 249 N 0.63 1.21 -0.35 2.00 2.07 -0.82 -1.77 116.25 119.23 1ony h VAL 249 Ca 0.08 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1ony h VAL 249 Cb 0.77 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1ony h VAL 249 CO 0.06 0.25 0.22 0.25 0.02 0.00 0.00 177.57 178.37 1ony h LEU 250 N 0.64 0.41 -0.96 2.57 5.85 -1.09 -0.64 115.31 122.10 1ony h LEU 250 Ca 0.16 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1ony h LEU 250 Cb 0.21 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1ony h LEU 250 CO -0.01 0.34 0.63 -0.07 -0.34 0.00 0.00 178.44 178.99 1ony h LEU 251 N 0.46 1.09 -0.50 2.25 3.38 -1.21 0.14 115.31 120.92 1ony h LEU 251 Ca 0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1ony h LEU 251 Cb -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1ony h LEU 251 CO -0.02 0.78 0.23 -0.08 0.09 0.00 0.00 178.44 179.43 1ony h GLU 252 N 1.28 0.73 -0.53 1.13 4.57 -0.89 -2.71 114.58 118.17 1ony h GLU 252 Ca 0.36 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 58.35 1ony h GLU 252 Cb -0.12 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.32 1ony h GLU 252 CO -0.08 0.62 0.06 0.52 -1.18 0.00 0.00 179.01 178.95 1ony h MET 253 N 0.67 0.86 0.00 1.92 2.86 -0.33 -2.25 114.93 118.65 1ony h MET 253 Ca 0.17 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1ony h MET 253 Cb 0.14 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1ony h MET 253 CO -0.02 0.82 0.00 0.54 1.06 0.00 0.00 176.91 179.31 1ony n ARG 254 N -4.23 0.08 0.13 1.72 1.74 0.43 -0.93 116.66 115.59 1ony n ARG 254 Ca 0.03 0.24 0.13 0.00 -0.77 0.00 0.00 57.85 57.48 1ony n ARG 254 Cb 0.27 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.61 1ony n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1ony h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.33 -3.32 116.57 119.05 1ony h LYS 255 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1ony h LYS 255 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ony h LYS 255 CO 0.00 0.00 -1.77 1.19 -0.57 0.00 0.00 179.45 178.30 1ony n PHE 256 N -2.39 0.00 -3.67 -1.35 3.72 -0.11 -4.96 117.46 108.71 1ony n PHE 256 Ca 0.05 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.33 1ony n PHE 256 Cb 0.42 -0.43 -0.08 0.00 -0.94 0.00 0.00 39.48 38.44 1ony n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1ony s ARG 257 N -2.94 0.68 0.60 -1.08 3.52 -1.20 -4.49 118.95 114.03 1ony s ARG 257 Ca -0.06 0.91 -0.17 0.00 -0.13 0.00 0.00 55.73 56.28 1ony s ARG 257 Cb 0.09 0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.72 1ony s ARG 257 CO 0.64 -0.10 1.08 0.00 -0.81 0.00 0.00 175.30 176.11 1ony s MET 258 N 0.67 3.21 -1.90 5.12 0.23 -1.26 -4.25 119.30 121.11 1ony s MET 258 Ca -0.03 1.34 0.00 0.00 -1.03 0.00 0.00 55.69 55.98 1ony s MET 258 Cb -0.05 -2.01 0.00 0.00 -1.53 0.00 0.00 34.83 31.24 1ony s MET 258 CO -0.04 -0.92 0.00 0.41 -2.03 0.00 0.00 175.02 172.44 1ony n GLY 259 N -0.58 1.70 3.68 3.16 0.00 -1.26 -4.88 105.19 107.01 1ony n GLY 259 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 1ony n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ony n LEU 260 N -2.14 3.72 -1.47 0.99 4.77 -1.25 -3.67 117.00 117.94 1ony n LEU 260 Ca -0.18 0.99 0.00 0.00 -0.03 0.00 0.00 56.01 56.79 1ony n LEU 260 Cb 0.60 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1ony n LEU 260 CO 0.27 0.03 0.00 -0.38 -1.33 0.00 0.00 177.39 175.98 1ony n ILE 261 N 4.71 -2.86 1.03 -0.08 2.08 0.05 -4.96 119.36 119.34 1ony n ILE 261 Ca 0.19 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.62 1ony n ILE 261 Cb 0.34 -3.48 0.19 0.00 -0.75 0.00 0.00 39.64 35.94 1ony n ILE 261 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ony n GLN 262 N 0.02 0.16 -4.01 0.38 1.13 -1.24 -4.95 117.38 108.86 1ony n GLN 262 Ca 0.00 -0.10 -0.10 0.00 -1.94 0.00 0.00 57.00 54.86 1ony n GLN 262 Cb 0.00 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.78 1ony n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1ony s THR 263 N -2.91 0.07 0.37 5.09 -4.23 -1.26 -5.02 115.64 107.74 1ony s THR 263 Ca 0.13 -1.52 0.11 0.00 -1.18 0.00 0.00 61.69 59.22 1ony s THR 263 Cb 0.17 -1.93 0.11 0.00 1.34 0.00 0.00 72.50 72.19 1ony s THR 263 CO 0.70 -0.30 1.84 0.00 -0.54 0.00 0.00 174.62 176.32 1ony h ALA 264 N 2.60 1.40 -0.43 3.99 0.00 -1.94 -1.54 119.26 123.34 1ony h ALA 264 Ca -0.32 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 1ony h ALA 264 Cb 1.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1ony h ALA 264 CO 0.50 0.44 0.05 -0.44 0.00 0.00 0.00 179.25 179.79 1ony h ASP 265 N 0.07 0.70 -0.08 0.00 3.45 -1.95 0.20 116.42 118.82 1ony h ASP 265 Ca 0.01 -0.28 -0.09 0.00 0.43 0.00 0.00 57.03 57.10 1ony h ASP 265 Cb 0.59 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 1ony h ASP 265 CO 0.04 0.81 -0.22 1.56 -1.57 0.00 0.00 179.24 179.86 1ony h GLN 266 N 0.58 0.49 0.06 3.56 4.20 -1.85 0.01 115.11 122.15 1ony h GLN 266 Ca 0.13 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1ony h GLN 266 Cb 0.42 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1ony h GLN 266 CO 0.01 0.68 -0.03 1.25 -0.67 0.00 0.00 178.83 180.07 1ony h LEU 267 N 0.44 -0.07 -0.47 1.46 5.85 -0.97 -0.59 115.31 120.96 1ony h LEU 267 Ca 0.07 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.56 1ony h LEU 267 Cb 0.62 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 1ony h LEU 267 CO 0.04 0.26 0.18 -0.09 -0.34 0.00 0.00 178.44 178.49 1ony h ARG 268 N -0.40 0.35 -0.85 1.25 2.43 -0.81 -1.16 114.38 115.18 1ony h ARG 268 Ca -0.01 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1ony h ARG 268 Cb 0.36 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1ony h ARG 268 CO 0.01 0.23 0.56 0.35 -1.51 0.00 0.00 179.97 179.62 1ony h PHE 269 N 0.36 0.99 -0.80 2.20 3.57 -0.85 -0.84 116.94 121.57 1ony h PHE 269 Ca 0.22 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1ony h PHE 269 Cb 0.20 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1ony h PHE 269 CO -0.15 0.55 0.41 0.77 -2.23 0.00 0.00 178.31 177.66 1ony h SER 270 N 1.00 1.03 0.18 0.41 0.02 0.10 -0.13 113.55 116.17 1ony h SER 270 Ca 0.36 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1ony h SER 270 Cb 0.13 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1ony h SER 270 CO -0.12 0.86 -0.09 1.88 -1.14 0.00 0.00 176.83 178.22 1ony h TYR 271 N 1.13 -0.23 -0.21 3.45 -1.99 -0.54 -1.37 116.97 117.20 1ony h TYR 271 Ca 0.28 -0.01 0.06 0.00 2.00 0.00 0.00 58.73 61.06 1ony h TYR 271 Cb 0.09 0.08 -0.07 0.00 2.00 0.00 0.00 36.73 38.82 1ony h TYR 271 CO 0.01 -0.12 -0.26 -0.07 -0.00 0.00 0.00 178.16 177.72 1ony h LEU 272 N -0.28 -0.84 -0.51 3.88 4.07 -0.83 0.13 115.31 120.93 1ony h LEU 272 Ca -0.03 0.14 0.08 0.00 0.08 0.00 0.00 57.88 58.16 1ony h LEU 272 Cb 0.22 0.38 -0.07 0.00 1.08 0.00 0.00 40.66 42.27 1ony h LEU 272 CO 0.04 -0.30 0.15 0.00 -1.08 0.00 0.00 178.44 177.25 1ony h ALA 273 N 0.69 0.61 -0.01 1.53 0.00 -0.86 0.38 119.26 121.60 1ony h ALA 273 Ca 0.12 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ony h ALA 273 Cb 0.48 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ony h ALA 273 CO -0.38 -0.26 0.00 0.28 0.00 0.00 0.00 179.25 178.90 1ony h VAL 274 N 0.30 1.21 0.04 0.00 2.07 -0.64 0.54 116.25 119.78 1ony h VAL 274 Ca 0.25 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1ony h VAL 274 Cb 0.31 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1ony h VAL 274 CO -0.29 0.17 -0.08 0.40 0.02 0.00 0.00 177.57 177.78 1ony h ILE 275 N -0.24 0.80 -0.66 4.57 2.04 -0.37 0.28 117.51 123.93 1ony h ILE 275 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 1ony h ILE 275 Cb 0.27 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1ony h ILE 275 CO 0.00 0.00 0.10 -0.08 0.00 0.00 0.00 178.15 178.17 1ony h GLU 276 N -0.16 1.09 -0.13 2.37 4.57 -0.25 -2.50 114.58 119.57 1ony h GLU 276 Ca 0.02 -0.29 -0.08 0.00 -1.18 0.00 0.00 59.36 57.83 1ony h GLU 276 Cb 0.18 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1ony h GLU 276 CO -0.06 1.00 -0.27 0.78 -1.18 0.00 0.00 179.01 179.28 1ony h GLY 277 N 1.04 0.27 1.03 1.92 0.00 0.50 -2.95 103.07 104.88 1ony h GLY 277 Ca 0.20 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 1ony h GLY 277 CO 0.01 0.19 -0.26 0.00 0.00 0.00 0.00 176.54 176.48 1ony h ALA 278 N 1.50 0.51 -0.00 3.60 0.00 -0.14 0.15 119.26 124.89 1ony h ALA 278 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ony h ALA 278 Cb 0.60 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ony h ALA 278 CO 0.04 0.52 0.05 0.87 0.00 0.00 0.00 179.25 180.74 1ony h LYS 279 N 0.60 0.00 0.00 0.00 1.57 -1.27 0.12 116.57 117.59 1ony h LYS 279 Ca 0.07 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.54 1ony h LYS 279 Cb 0.83 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.10 1ony h LYS 279 CO 0.07 0.00 -2.01 0.34 -0.57 0.00 0.00 179.45 177.29 1ony n PHE 280 N -3.05 0.00 0.32 -1.35 -0.00 -1.07 -4.37 117.46 107.94 1ony n PHE 280 Ca -0.03 0.00 0.20 0.00 -0.00 0.00 0.00 57.45 57.63 1ony n PHE 280 Cb 0.12 -0.77 1.03 0.00 -0.00 0.00 0.00 39.48 39.85 1ony n PHE 280 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 1ony h ILE 281 N -0.89 0.05 0.00 -2.13 2.10 -0.61 -2.39 117.51 113.65 1ony h ILE 281 Ca -0.47 -0.19 -0.04 0.00 1.08 0.00 0.00 64.86 65.25 1ony h ILE 281 Cb 1.38 1.17 -0.01 0.00 -1.09 0.00 0.00 36.82 38.28 1ony h ILE 281 CO -0.28 0.01 -0.17 -0.03 -1.08 0.00 0.00 178.15 176.59 1ony h MET 282 N 0.00 0.00 0.00 2.19 4.05 -0.97 -3.46 114.93 116.74 1ony h MET 282 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1ony h MET 282 Cb 0.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 1ony h MET 282 CO 0.00 0.17 0.00 0.41 0.23 0.00 0.00 176.91 177.73 1ony n GLY 283 N -0.86 0.95 0.00 1.39 0.00 -0.90 -5.12 105.19 100.66 1ony n GLY 283 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ony n GLY 283 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66