#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hml s ILE 3 N 0.00 5.07 -0.21 1.96 1.01 -1.26 -4.92 121.20 122.85 3hml s ILE 3 Ca 0.00 1.13 -0.06 0.00 0.00 0.00 0.00 60.65 61.72 3hml s ILE 3 Cb 0.00 -3.91 -0.11 0.00 0.01 0.00 0.00 42.46 38.45 3hml s ILE 3 CO 0.00 0.18 -0.24 0.35 0.00 0.00 0.00 174.94 175.23 3hml n THR 4 N 4.36 1.18 -4.49 2.92 -2.24 -1.26 -4.83 114.28 109.91 3hml n THR 4 Ca -0.03 -0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 61.06 3hml n THR 4 Cb 0.50 -1.57 -0.14 0.00 -2.10 0.00 0.00 70.33 67.03 3hml n THR 4 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hml s ASP 5 N -6.57 4.32 -0.45 3.42 1.01 -1.26 -4.90 116.67 112.25 3hml s ASP 5 Ca -0.29 -0.28 -0.45 0.00 0.71 0.00 0.00 52.55 52.25 3hml s ASP 5 Cb 0.10 -1.69 -0.19 0.00 1.01 0.00 0.00 42.92 42.15 3hml s ASP 5 CO 0.41 0.13 1.74 0.41 0.21 0.00 0.00 175.17 178.08 3hml n THR 6 N 3.77 0.08 -2.33 -1.27 -1.04 -1.26 -4.93 114.28 107.30 3hml n THR 6 Ca -0.18 -0.02 -0.35 0.00 -2.04 0.00 0.00 64.05 61.46 3hml n THR 6 Cb 0.52 -0.71 -0.01 0.00 -1.82 0.00 0.00 70.33 68.31 3hml n THR 6 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hml s LEU 7 N 3.78 3.79 0.92 -4.42 1.43 -1.26 -5.00 118.68 117.92 3hml s LEU 7 Ca 1.06 2.13 -0.10 0.00 -1.03 0.00 0.00 54.13 56.19 3hml s LEU 7 Cb -1.38 -4.55 0.14 0.00 0.03 0.00 0.00 46.19 40.43 3hml s LEU 7 CO 0.75 -1.09 1.09 -1.54 0.23 0.00 0.00 176.35 175.79 3hml n SER 8 N -1.15 0.18 -0.24 2.29 3.41 -1.26 -4.68 113.62 112.16 3hml n SER 8 Ca 0.11 0.42 0.02 0.00 -0.26 0.00 0.00 58.87 59.16 3hml n SER 8 Cb 0.51 -1.46 0.14 0.00 -0.26 0.00 0.00 64.21 63.14 3hml n SER 8 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3hml h PRO 9 N -1.83 0.55 -0.27 4.33 0.11 -1.94 0.32 132.00 133.27 3hml h PRO 9 Ca -0.43 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 3hml h PRO 9 Cb 1.27 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3hml h PRO 9 CO 0.41 0.36 -0.09 0.37 -0.21 0.00 0.00 178.00 178.84 3hml h GLN 10 N 0.57 0.53 -0.87 1.05 5.75 -1.95 0.11 115.11 120.29 3hml h GLN 10 Ca 0.36 -0.21 0.07 0.00 -0.15 0.00 0.00 58.65 58.71 3hml h GLN 10 Cb 0.40 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.86 3hml h GLN 10 CO -0.29 0.76 0.53 0.00 -2.65 0.00 0.00 178.83 177.18 3hml h ALA 11 N 0.76 1.21 -0.24 3.38 0.00 -1.86 -2.44 119.26 120.06 3hml h ALA 11 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3hml h ALA 11 Cb 0.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hml h ALA 11 CO 0.03 0.24 -0.20 0.35 0.00 0.00 0.00 179.25 179.68 3hml h PHE 12 N 0.94 0.47 -0.67 0.00 3.57 -0.11 -2.54 116.94 118.60 3hml h PHE 12 Ca 0.39 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.83 3hml h PHE 12 Cb 0.23 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 3hml h PHE 12 CO -0.04 0.61 0.44 1.49 -2.23 0.00 0.00 178.31 178.59 3hml h GLU 13 N 0.39 0.82 -0.71 1.11 4.81 -0.36 -2.55 114.58 118.09 3hml h GLU 13 Ca 0.07 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 3hml h GLU 13 Cb 0.57 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3hml h GLU 13 CO 0.04 0.54 0.19 0.93 -0.73 0.00 0.00 179.01 179.98 3hml h GLU 14 N 0.84 1.12 -0.11 1.92 4.39 -1.04 -1.42 114.58 120.28 3hml h GLU 14 Ca 0.26 -0.26 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 3hml h GLU 14 Cb 0.01 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 3hml h GLU 14 CO -0.07 0.98 -0.55 0.00 -1.16 0.00 0.00 179.01 178.21 3hml h ALA 15 N 1.09 0.85 -0.36 3.43 0.00 -1.29 -0.45 119.26 122.53 3hml h ALA 15 Ca 0.22 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3hml h ALA 15 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hml h ALA 15 CO -0.00 0.69 0.06 -0.07 0.00 0.00 0.00 179.25 179.94 3hml h LEU 16 N 0.26 0.57 -1.04 0.00 3.38 -1.33 -3.16 115.31 113.98 3hml h LEU 16 Ca 0.00 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 3hml h LEU 16 Cb 1.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3hml h LEU 16 CO 0.09 0.68 -0.45 0.03 0.09 0.00 0.00 178.44 178.88 3hml h ARG 17 N 0.44 0.05 0.00 1.13 3.08 -1.07 -2.79 114.38 115.22 3hml h ARG 17 Ca 0.11 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3hml h ARG 17 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3hml h ARG 17 CO 0.01 0.50 -0.01 0.00 -1.07 0.00 0.00 179.97 179.40 3hml h ALA 18 N 1.50 1.24 0.00 0.04 0.00 -1.05 -1.72 119.26 119.28 3hml h ALA 18 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hml h ALA 18 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hml h ALA 18 CO 0.06 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.95 3hml n LYS 19 N -3.44 0.07 0.19 0.00 4.76 -1.05 -2.55 118.16 116.14 3hml n LYS 19 Ca -0.03 0.21 0.14 0.00 -2.87 0.00 0.00 58.31 55.76 3hml n LYS 19 Cb 0.09 -1.50 0.64 0.00 -1.84 0.00 0.00 35.03 32.43 3hml n LYS 19 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3hml h GLY 20 N 2.59 0.00 0.70 0.72 0.00 -1.49 -2.30 103.07 103.29 3hml h GLY 20 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.51 3hml h GLY 20 CO 0.00 0.00 0.47 -0.55 0.00 0.00 0.00 176.54 176.46 3hml h ASP 21 N 0.00 0.00 -0.51 0.19 3.32 -1.72 -1.99 116.42 115.71 3hml h ASP 21 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hml h ASP 21 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3hml h ASP 21 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 3hml n PHE 22 N -4.26 0.67 -1.99 4.55 3.72 -0.86 -4.93 117.46 114.35 3hml n PHE 22 Ca 0.12 -0.34 -0.37 0.00 -0.05 0.00 0.00 57.45 56.81 3hml n PHE 22 Cb 0.72 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.29 3hml n PHE 22 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3hml s TYR 23 N -1.33 2.49 -1.09 1.38 5.04 -0.75 -4.89 117.35 118.20 3hml s TYR 23 Ca 0.41 1.46 0.12 0.00 -2.44 0.00 0.00 57.07 56.63 3hml s TYR 23 Cb 0.23 -3.58 0.52 0.00 0.35 0.00 0.00 41.96 39.48 3hml s TYR 23 CO 0.31 -2.28 1.36 -2.39 -1.34 0.00 0.00 175.55 171.20 3hml n HIS 24 N -1.03 0.00 0.34 4.97 1.44 -1.26 -1.64 115.22 118.04 3hml n HIS 24 Ca 0.10 0.00 0.22 0.00 -2.01 0.00 0.00 57.72 56.04 3hml n HIS 24 Cb 0.47 -0.46 1.19 0.00 0.12 0.00 0.00 29.99 31.32 3hml n HIS 24 CO 0.00 0.00 0.00 -0.84 -2.81 0.00 0.00 176.34 172.69 3hml h ILE 25 N 0.00 0.04 -0.01 0.61 3.07 -1.96 -1.90 117.51 117.36 3hml h ILE 25 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3hml h ILE 25 Cb 0.18 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 37.72 3hml h ILE 25 CO 0.00 0.00 -0.11 1.41 -1.05 0.00 0.00 178.15 178.40 3hml n HIS 26 N -3.13 0.00 -2.40 0.16 8.25 -0.65 -4.44 115.22 113.01 3hml n HIS 26 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 3hml n HIS 26 Cb 0.08 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 3hml n HIS 26 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3hml s HIS 27 N -2.23 3.41 0.47 4.41 5.04 -0.72 -4.93 115.29 120.74 3hml s HIS 27 Ca 0.32 1.26 0.27 0.00 -1.54 0.00 0.00 55.06 55.38 3hml s HIS 27 Cb 0.20 -3.45 1.33 0.00 0.04 0.00 0.00 32.58 30.70 3hml s HIS 27 CO 0.42 -1.40 1.79 -1.35 -2.34 0.00 0.00 174.74 171.86 3hml h PRO 28 N 6.81 0.19 -0.44 2.88 0.11 -1.90 -0.28 132.00 139.38 3hml h PRO 28 Ca -0.42 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.62 3hml h PRO 28 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3hml h PRO 28 CO 0.82 0.12 0.01 -0.92 -0.21 0.00 0.00 178.00 177.82 3hml h TYR 29 N 0.19 0.83 -0.41 0.65 3.20 -1.93 0.99 116.97 120.49 3hml h TYR 29 Ca 0.58 -0.14 -0.07 0.00 3.14 0.00 0.00 58.73 62.23 3hml h TYR 29 Cb 1.87 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.90 3hml h TYR 29 CO -0.00 0.81 -0.03 0.45 -1.64 0.00 0.00 178.16 177.75 3hml h HIS 30 N 0.61 0.82 -0.34 -3.82 3.86 -1.37 -2.66 115.15 112.25 3hml h HIS 30 Ca 0.13 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3hml h HIS 30 Cb 0.47 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 3hml h HIS 30 CO 0.04 0.83 0.16 0.82 0.86 0.00 0.00 177.93 180.64 3hml h ILE 31 N 0.57 1.16 -0.89 2.45 2.04 -1.11 -0.40 117.51 121.33 3hml h ILE 31 Ca 0.11 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.51 3hml h ILE 31 Cb 0.53 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3hml h ILE 31 CO 0.03 0.17 0.58 0.00 0.00 0.00 0.00 178.15 178.93 3hml h ALA 32 N 1.01 1.13 -0.41 1.87 0.00 -0.81 -2.00 119.26 120.05 3hml h ALA 32 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hml h ALA 32 Cb 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3hml h ALA 32 CO -0.01 0.55 0.26 0.52 0.00 0.00 0.00 179.25 180.56 3hml h MET 33 N 1.21 0.55 -0.27 0.00 2.86 -1.23 0.14 114.93 118.20 3hml h MET 33 Ca 0.32 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.85 3hml h MET 33 Cb -0.12 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.41 3hml h MET 33 CO -0.07 0.39 -0.15 1.25 1.06 0.00 0.00 176.91 179.39 3hml h HIS 34 N 0.55 0.50 -0.48 -0.22 6.17 -0.65 -3.04 115.15 117.98 3hml h HIS 34 Ca 0.15 -0.08 0.00 0.00 0.71 0.00 0.00 60.37 61.15 3hml h HIS 34 Cb -0.03 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 29.77 3hml h HIS 34 CO -0.04 0.60 0.00 0.27 0.71 0.00 0.00 177.93 179.47 3hml n ASN 35 N -4.19 4.41 0.00 3.26 0.23 -0.79 -4.92 115.26 113.25 3hml n ASN 35 Ca 0.00 -2.62 0.00 0.00 -0.53 0.00 0.00 54.58 51.44 3hml n ASN 35 Cb 0.34 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 3hml n ASN 35 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hml n GLY 36 N 0.50 0.59 0.59 4.83 0.00 -1.07 -4.95 105.19 105.67 3hml n GLY 36 Ca 0.23 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.76 3hml n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hml n ASN 37 N 1.05 2.18 -4.77 1.61 5.03 0.01 -4.97 115.26 115.40 3hml n ASN 37 Ca 0.00 -1.59 -0.38 0.00 0.87 0.00 0.00 54.58 53.48 3hml n ASN 37 Cb 0.00 0.25 -0.03 0.00 -1.02 0.00 0.00 39.78 38.97 3hml n ASN 37 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hml s ALA 38 N -1.87 3.16 0.68 5.41 0.00 -1.06 -4.92 121.76 123.17 3hml s ALA 38 Ca 0.19 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 3hml s ALA 38 Cb 0.15 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 3hml s ALA 38 CO 0.36 -0.31 1.07 0.95 0.00 0.00 0.00 175.76 177.83 3hml s THR 39 N -1.48 3.92 0.31 0.00 -4.23 -1.26 -4.92 115.64 107.98 3hml s THR 39 Ca 0.55 0.62 -0.00 0.00 -1.18 0.00 0.00 61.69 61.68 3hml s THR 39 Cb -0.27 -3.57 0.21 0.00 1.34 0.00 0.00 72.50 70.21 3hml s THR 39 CO 0.34 -0.81 1.92 -0.09 -0.54 0.00 0.00 174.62 175.43 3hml h ARG 40 N -0.58 0.88 -0.72 3.99 2.43 -1.99 -1.22 114.38 117.18 3hml h ARG 40 Ca -0.45 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 58.67 3hml h ARG 40 Cb 1.23 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 3hml h ARG 40 CO 0.62 0.67 0.43 1.49 -1.51 0.00 0.00 179.97 181.67 3hml h GLU 41 N 0.89 0.78 -0.31 0.20 4.81 -1.97 -0.68 114.58 118.29 3hml h GLU 41 Ca 0.22 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3hml h GLU 41 Cb 0.07 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3hml h GLU 41 CO -0.03 0.51 0.04 1.96 -0.73 0.00 0.00 179.01 180.76 3hml h GLN 42 N 0.80 0.52 -0.46 1.92 4.20 -1.65 -1.46 115.11 118.98 3hml h GLN 42 Ca 0.31 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 3hml h GLN 42 Cb 0.13 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3hml h GLN 42 CO -0.16 0.63 0.06 0.82 -0.67 0.00 0.00 178.83 179.52 3hml h ILE 43 N 0.34 1.25 -0.46 2.54 2.04 -1.20 -0.53 117.51 121.48 3hml h ILE 43 Ca 0.09 -0.93 -0.11 0.00 1.00 0.00 0.00 64.86 64.91 3hml h ILE 43 Cb 0.37 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3hml h ILE 43 CO 0.01 0.33 -0.13 1.56 0.00 0.00 0.00 178.15 179.92 3hml h GLN 44 N 0.64 0.91 -0.03 2.37 4.20 -1.12 -0.88 115.11 121.20 3hml h GLN 44 Ca 0.14 -0.35 -0.11 0.00 0.06 0.00 0.00 58.65 58.39 3hml h GLN 44 Cb 0.41 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3hml h GLN 44 CO 0.01 1.01 -0.50 0.78 -0.67 0.00 0.00 178.83 179.46 3hml h GLY 45 N 0.75 0.07 0.81 3.46 0.00 -1.21 0.73 103.07 107.67 3hml h GLY 45 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3hml h GLY 45 CO 0.05 0.07 -0.04 -0.25 0.00 0.00 0.00 176.54 176.37 3hml h TRP 46 N 0.05 -0.10 0.09 5.60 7.01 -0.97 -1.68 115.95 125.96 3hml h TRP 46 Ca -0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3hml h TRP 46 Cb 0.90 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.99 3hml h TRP 46 CO 0.00 0.11 -0.08 0.28 -2.79 0.00 0.00 178.44 175.97 3hml h VAL 47 N -0.31 0.83 -0.67 2.65 2.07 -1.00 0.14 116.25 119.96 3hml h VAL 47 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 3hml h VAL 47 Cb 0.26 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 3hml h VAL 47 CO 0.02 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.77 3hml h ALA 48 N 0.72 0.83 0.15 1.67 0.00 -0.91 -0.81 119.26 120.92 3hml h ALA 48 Ca -0.00 0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 3hml h ALA 48 Cb 0.17 0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.17 3hml h ALA 48 CO -0.01 -0.31 -0.93 -0.91 0.00 0.00 0.00 179.25 177.09 3hml h ASN 49 N 0.28 0.51 -0.86 0.00 2.35 -1.20 -3.23 115.58 113.43 3hml h ASN 49 Ca 0.36 -0.94 0.15 0.00 -0.55 0.00 0.00 56.30 55.32 3hml h ASN 49 Cb 0.58 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.72 3hml h ASN 49 CO -0.45 1.44 0.56 0.03 -1.65 0.00 0.00 177.43 177.36 3hml h ARG 50 N -0.31 0.59 -0.81 0.81 2.47 -0.68 -2.12 114.38 114.33 3hml h ARG 50 Ca -0.17 -0.04 0.17 0.00 -1.26 0.00 0.00 59.98 58.69 3hml h ARG 50 Cb 1.71 -0.13 -0.11 0.00 -1.65 0.00 0.00 29.97 29.79 3hml h ARG 50 CO 0.16 0.39 0.32 0.35 0.56 0.00 0.00 179.97 181.75 3hml h PHE 51 N 0.61 0.54 -0.53 3.04 3.57 -1.16 -0.92 116.94 122.09 3hml h PHE 51 Ca 0.43 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.98 3hml h PHE 51 Cb 0.77 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 3hml h PHE 51 CO -0.00 0.01 0.35 -0.92 -2.23 0.00 0.00 178.31 175.52 3hml h TYR 52 N 0.42 0.65 -0.22 0.41 3.20 -1.43 0.52 116.97 120.52 3hml h TYR 52 Ca 0.47 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.40 3hml h TYR 52 Cb 0.78 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 3hml h TYR 52 CO -0.17 0.40 -0.06 -0.92 -1.64 0.00 0.00 178.16 175.77 3hml h TYR 53 N 0.70 -0.13 -0.76 -3.82 3.20 -1.31 -2.68 116.97 112.17 3hml h TYR 53 Ca 0.20 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3hml h TYR 53 Cb -0.06 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 3hml h TYR 53 CO -0.04 -0.10 0.43 1.96 -1.64 0.00 0.00 178.16 178.77 3hml h GLN 54 N -0.01 1.05 0.00 1.82 1.08 -0.69 -1.90 115.11 116.45 3hml h GLN 54 Ca 0.11 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3hml h GLN 54 Cb 0.17 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 3hml h GLN 54 CO -0.23 0.76 0.00 0.25 -0.95 0.00 0.00 178.83 178.66 3hml n THR 55 N -4.47 0.55 -0.03 -0.54 -2.24 0.13 -3.46 114.28 104.22 3hml n THR 55 Ca 0.07 0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.82 3hml n THR 55 Cb 0.08 -0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 67.39 3hml n THR 55 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hml n THR 56 N -1.74 1.60 -0.15 4.28 -1.04 -0.80 -4.33 114.28 112.11 3hml n THR 56 Ca 0.05 -0.79 -0.09 0.00 -2.04 0.00 0.00 64.05 61.18 3hml n THR 56 Cb 0.28 -1.05 -0.04 0.00 -1.82 0.00 0.00 70.33 67.71 3hml n THR 56 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3hml h ILE 57 N 0.01 0.12 -0.05 12.58 1.08 -1.40 0.44 117.51 130.28 3hml h ILE 57 Ca -0.33 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 3hml h ILE 57 Cb 2.04 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.91 3hml h ILE 57 CO 0.07 0.00 0.01 1.55 -0.69 0.00 0.00 178.15 179.09 3hml h PRO 58 N -0.29 0.07 -0.56 2.37 0.13 -1.75 0.14 132.00 132.09 3hml h PRO 58 Ca 0.15 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.19 3hml h PRO 58 Cb 0.57 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 3hml h PRO 58 CO -0.60 0.07 -0.01 -0.07 -0.23 0.00 0.00 178.00 177.16 3hml h LEU 59 N 0.07 0.99 -0.54 1.56 3.38 -1.49 -1.55 115.31 117.73 3hml h LEU 59 Ca 0.02 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 3hml h LEU 59 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3hml h LEU 59 CO -0.00 1.06 -0.05 0.50 0.09 0.00 0.00 178.44 180.04 3hml h LYS 60 N 0.89 0.98 -0.31 1.13 3.11 -0.45 -2.22 116.57 119.71 3hml h LYS 60 Ca 0.16 -0.34 -0.13 0.00 -2.81 0.00 0.00 60.65 57.53 3hml h LYS 60 Cb 0.56 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.70 3hml h LYS 60 CO 0.03 1.01 -0.33 -0.44 -2.81 0.00 0.00 179.45 176.91 3hml h ASP 61 N 0.86 0.70 -0.35 4.20 3.32 -0.59 -2.64 116.42 121.92 3hml h ASP 61 Ca 0.15 -0.28 -0.10 0.00 0.02 0.00 0.00 57.03 56.81 3hml h ASP 61 Cb 0.60 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3hml h ASP 61 CO 0.04 0.97 -0.15 0.00 -1.72 0.00 0.00 179.24 178.38 3hml h ALA 62 N 1.07 0.93 -1.00 3.45 0.00 -1.22 -2.60 119.26 119.90 3hml h ALA 62 Ca 0.06 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.71 3hml h ALA 62 Cb 0.84 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 3hml h ALA 62 CO 0.07 0.62 0.64 0.00 0.00 0.00 0.00 179.25 180.58 3hml h ALA 63 N 1.11 1.41 -0.27 0.00 0.00 -1.22 0.85 119.26 121.14 3hml h ALA 63 Ca 0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3hml h ALA 63 Cb 0.65 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hml h ALA 63 CO 0.05 0.39 -0.08 0.82 0.00 0.00 0.00 179.25 180.43 3hml h ILE 64 N 1.13 1.29 -0.77 0.00 2.04 -1.32 -3.13 117.51 116.74 3hml h ILE 64 Ca 0.44 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 65.20 3hml h ILE 64 Cb 0.23 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3hml h ILE 64 CO -0.19 0.35 0.51 0.24 0.00 0.00 0.00 178.15 179.05 3hml h MET 65 N 0.27 1.02 0.00 2.37 2.86 -1.13 -2.25 114.93 118.08 3hml h MET 65 Ca 0.07 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hml h MET 65 Cb 0.56 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3hml h MET 65 CO 0.03 0.69 0.06 0.00 1.06 0.00 0.00 176.91 178.75 3hml h ALA 66 N 1.28 1.05 -0.05 6.32 0.00 -0.78 -2.37 119.26 124.70 3hml h ALA 66 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3hml h ALA 66 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hml h ALA 66 CO -0.06 -0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.23 3hml n ASN 67 N -2.40 2.00 -4.08 0.00 3.02 -0.89 -4.93 115.26 107.97 3hml n ASN 67 Ca -0.02 -1.51 -0.35 0.00 -0.03 0.00 0.00 54.58 52.68 3hml n ASN 67 Cb 0.10 -0.03 -0.12 0.00 -0.61 0.00 0.00 39.78 39.12 3hml n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hml n PRO 69 N 4.32 1.00 -3.15 0.00 -0.04 -1.26 -4.61 135.00 131.25 3hml n PRO 69 Ca 0.01 -0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.02 3hml n PRO 69 Cb 0.41 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.63 3hml n PRO 69 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3hml s ASP 70 N -1.41 6.36 0.37 3.54 2.15 -1.26 -4.96 116.67 121.46 3hml s ASP 70 Ca 0.20 -1.82 0.18 0.00 0.43 0.00 0.00 52.55 51.54 3hml s ASP 70 Cb 0.09 -2.29 1.17 0.00 -0.30 0.00 0.00 42.92 41.59 3hml s ASP 70 CO 0.15 -0.97 1.66 0.00 -0.17 0.00 0.00 175.17 175.85 3hml h ALA 71 N 8.82 2.14 -0.38 3.66 0.00 -2.00 -1.38 119.26 130.13 3hml h ALA 71 Ca -0.15 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3hml h ALA 71 Cb 1.07 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3hml h ALA 71 CO 1.02 -0.75 -0.01 0.37 0.00 0.00 0.00 179.25 179.89 3hml h GLN 72 N 0.27 0.67 -0.45 0.00 4.15 -1.97 -1.26 115.11 116.52 3hml h GLN 72 Ca 0.74 -0.22 -0.11 0.00 0.77 0.00 0.00 58.65 59.84 3hml h GLN 72 Cb 1.85 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.47 3hml h GLN 72 CO -0.55 0.78 -0.14 1.15 -1.93 0.00 0.00 178.83 178.14 3hml h THR 73 N 0.49 1.27 -0.78 2.39 2.02 -1.74 -3.15 112.91 113.41 3hml h THR 73 Ca 0.11 -1.27 0.08 0.00 0.77 0.00 0.00 66.41 66.10 3hml h THR 73 Cb 0.48 1.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.97 3hml h THR 73 CO 0.02 0.43 0.44 0.03 0.37 0.00 0.00 175.52 176.82 3hml h ARG 74 N 0.73 0.74 -0.85 6.66 3.08 -1.09 0.22 114.38 123.87 3hml h ARG 74 Ca 0.11 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.21 3hml h ARG 74 Cb 0.69 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 30.50 3hml h ARG 74 CO 0.05 0.49 0.49 0.00 -1.07 0.00 0.00 179.97 179.93 3hml h ARG 75 N 0.76 0.80 -0.08 0.04 3.08 -1.20 0.18 114.38 117.96 3hml h ARG 75 Ca 0.37 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.25 3hml h ARG 75 Cb 0.31 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.19 3hml h ARG 75 CO -0.23 0.53 -0.40 0.87 -1.07 0.00 0.00 179.97 179.67 3hml h LYS 76 N 0.83 0.41 -0.52 0.04 1.57 -1.46 -3.36 116.57 114.08 3hml h LYS 76 Ca 0.41 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3hml h LYS 76 Cb 0.36 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3hml h LYS 76 CO -0.24 0.98 0.06 2.35 -0.57 0.00 0.00 179.45 182.02 3hml h TRP 77 N -0.04 0.87 0.00 -1.35 2.91 0.06 -2.91 115.95 115.49 3hml h TRP 77 Ca -0.03 -0.10 -0.01 0.00 1.13 0.00 0.00 58.89 59.88 3hml h TRP 77 Cb 1.06 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 29.46 3hml h TRP 77 CO 0.12 0.77 -0.05 -0.24 -1.03 0.00 0.00 178.44 178.01 3hml h VAL 78 N 0.79 0.45 -0.70 2.65 3.04 -0.83 -2.72 116.25 118.92 3hml h VAL 78 Ca 0.16 -0.24 0.07 0.00 -1.01 0.00 0.00 66.70 65.68 3hml h VAL 78 Cb 0.39 1.16 -0.04 0.00 -2.01 0.00 0.00 31.29 30.79 3hml h VAL 78 CO 0.01 0.05 0.46 -0.61 -1.01 0.00 0.00 177.57 176.47 3hml h GLN 79 N 0.00 0.67 -0.61 4.17 5.75 -1.66 -1.54 115.11 121.89 3hml h GLN 79 Ca -0.00 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 3hml h GLN 79 Cb 0.16 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 3hml h GLN 79 CO 0.01 0.44 0.26 0.00 -2.65 0.00 0.00 178.83 176.89 3hml h ARG 80 N 0.69 0.88 -0.24 1.69 3.08 -1.65 -2.06 114.38 116.76 3hml h ARG 80 Ca 0.31 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 3hml h ARG 80 Cb 0.32 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3hml h ARG 80 CO -0.10 0.70 -0.00 0.82 -1.07 0.00 0.00 179.97 180.32 3hml h ILE 81 N 0.87 1.26 -0.96 2.04 2.04 -1.44 -2.23 117.51 119.07 3hml h ILE 81 Ca 0.21 -0.91 0.09 0.00 1.00 0.00 0.00 64.86 65.26 3hml h ILE 81 Cb 0.14 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 3hml h ILE 81 CO -0.02 0.28 0.62 -0.07 0.00 0.00 0.00 178.15 178.96 3hml h LEU 82 N 0.20 0.92 -0.30 1.44 4.07 -1.33 0.12 115.31 120.43 3hml h LEU 82 Ca 0.07 0.03 -0.20 0.00 0.08 0.00 0.00 57.88 57.85 3hml h LEU 82 Cb 0.41 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.99 3hml h LEU 82 CO 0.01 0.54 -0.74 0.44 -1.08 0.00 0.00 178.44 177.61 3hml h ASP 83 N 1.01 0.71 -0.08 -0.43 3.32 -1.25 -0.91 116.42 118.79 3hml h ASP 83 Ca 0.45 -0.46 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 3hml h ASP 83 Cb 0.36 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.71 3hml h ASP 83 CO -0.20 1.22 -0.61 0.45 -1.72 0.00 0.00 179.24 178.38 3hml h HIS 84 N 0.41 0.77 0.00 4.55 3.86 -1.19 -0.34 115.15 123.22 3hml h HIS 84 Ca -0.04 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 3hml h HIS 84 Cb 1.34 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.70 3hml h HIS 84 CO 0.06 1.16 -0.93 -0.44 0.86 0.00 0.00 177.93 178.65 3hml h ASP 85 N 0.16 0.00 -4.09 2.45 3.32 -0.84 -2.11 116.42 115.31 3hml h ASP 85 Ca -0.05 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3hml h ASP 85 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3hml h ASP 85 CO 0.12 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.27 3hml n GLY 86 N 1.20 -1.98 0.85 2.75 0.00 -0.35 -4.68 105.19 102.98 3hml n GLY 86 Ca 0.01 -1.51 -0.02 0.00 0.00 0.00 0.00 46.02 44.50 3hml n GLY 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hml n SER 87 N -1.99 -0.16 -4.87 1.61 3.41 -1.25 -4.78 113.62 105.60 3hml n SER 87 Ca 0.00 -1.69 -0.32 0.00 -0.26 0.00 0.00 58.87 56.61 3hml n SER 87 Cb 0.00 0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 63.91 3hml n SER 87 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3hml s ASP 91 N -0.87 6.64 0.00 4.04 1.47 -1.26 -5.23 116.67 121.46 3hml s ASP 91 Ca 0.06 0.98 0.00 0.00 1.18 0.00 0.00 52.55 54.77 3hml s ASP 91 Cb 0.07 -2.25 0.00 0.00 -0.34 0.00 0.00 42.92 40.40 3hml s ASP 91 CO -0.03 -0.12 0.00 0.61 0.68 0.00 0.00 175.17 176.31 3hml n GLY 92 N -0.28 3.06 0.23 2.12 0.00 -1.26 -5.06 105.19 104.00 3hml n GLY 92 Ca 0.01 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.71 3hml n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hml h GLY 93 N 0.00 0.00 1.80 -0.02 0.00 -0.68 -2.70 103.07 101.47 3hml h GLY 93 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3hml h GLY 93 CO 0.00 0.00 -0.71 -2.22 0.00 0.00 0.00 176.54 173.61 3hml h ILE 94 N 0.00 1.44 -0.97 2.60 2.04 -1.65 -2.75 117.51 118.22 3hml h ILE 94 Ca -0.00 -2.25 0.07 0.00 1.00 0.00 0.00 64.86 63.68 3hml h ILE 94 Cb 0.51 2.20 -0.07 0.00 -0.74 0.00 0.00 36.82 38.73 3hml h ILE 94 CO 0.03 0.66 0.63 -0.08 0.00 0.00 0.00 178.15 179.38 3hml h GLU 95 N 0.13 1.07 -0.98 2.37 4.57 -1.74 -1.98 114.58 118.03 3hml h GLU 95 Ca -0.02 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3hml h GLU 95 Cb 1.26 -0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 29.56 3hml h GLU 95 CO 0.11 0.71 0.64 0.00 -1.18 0.00 0.00 179.01 179.29 3hml h ALA 96 N 1.48 1.26 -0.39 2.92 0.00 -1.36 -0.33 119.26 122.85 3hml h ALA 96 Ca 0.42 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 3hml h ALA 96 Cb 0.21 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hml h ALA 96 CO -0.17 0.58 -0.05 -1.49 0.00 0.00 0.00 179.25 178.12 3hml h TRP 97 N 1.28 0.79 -0.57 0.00 4.06 -1.50 -1.14 115.95 118.88 3hml h TRP 97 Ca 0.37 -0.16 0.03 0.00 2.06 0.00 0.00 58.89 61.19 3hml h TRP 97 Cb -0.08 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 27.84 3hml h TRP 97 CO -0.00 0.83 0.34 -0.07 -3.56 0.00 0.00 178.44 175.98 3hml h LEU 98 N 0.53 0.56 -0.97 -4.49 3.38 -0.99 0.96 115.31 114.29 3hml h LEU 98 Ca 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3hml h LEU 98 Cb 0.55 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3hml h LEU 98 CO 0.03 0.39 -0.09 0.03 0.09 0.00 0.00 178.44 178.89 3hml h ARG 99 N 0.68 0.65 -0.34 1.13 3.08 -1.08 -2.25 114.38 116.24 3hml h ARG 99 Ca 0.23 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3hml h ARG 99 Cb 0.03 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3hml h ARG 99 CO -0.10 0.73 0.21 1.25 -1.07 0.00 0.00 179.97 180.99 3hml h LEU 100 N 0.60 0.41 -0.90 3.04 5.85 -0.75 -2.54 115.31 121.02 3hml h LEU 100 Ca 0.11 -0.04 0.17 0.00 0.84 0.00 0.00 57.88 58.96 3hml h LEU 100 Cb 0.51 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.33 3hml h LEU 100 CO 0.03 0.33 0.47 1.23 -0.34 0.00 0.00 178.44 180.16 3hml h GLY 101 N 0.45 1.51 1.75 3.75 0.00 -0.68 -1.44 103.07 108.42 3hml h GLY 101 Ca 0.12 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 3hml h GLY 101 CO -0.02 -0.09 -0.51 0.83 0.00 0.00 0.00 176.54 176.74 3hml h GLU 102 N 0.61 0.27 0.00 4.80 5.08 -1.29 0.35 114.58 124.39 3hml h GLU 102 Ca 0.51 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 3hml h GLU 102 Cb 0.80 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3hml h GLU 102 CO -0.40 0.72 -0.35 0.00 -1.00 0.00 0.00 179.01 177.97 3hml h ALA 103 N 1.25 0.95 -0.01 3.43 0.00 -0.87 -2.63 119.26 121.39 3hml h ALA 103 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hml h ALA 103 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hml h ALA 103 CO 0.08 0.44 -0.39 1.33 0.00 0.00 0.00 179.25 180.71 3hml n VAL 104 N -3.44 0.00 0.00 0.00 0.24 -0.63 -1.19 118.33 113.30 3hml n VAL 104 Ca 0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3hml n VAL 104 Cb 0.52 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 3hml n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hml n GLY 105 N 1.40 1.17 3.83 7.63 0.00 -0.83 -4.85 105.19 113.55 3hml n GLY 105 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3hml n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hml s LEU 106 N 0.00 4.41 0.68 0.99 1.43 0.12 -4.98 118.68 121.32 3hml s LEU 106 Ca 0.00 0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 53.69 3hml s LEU 106 Cb 0.00 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.86 3hml s LEU 106 CO 0.00 0.32 1.07 -0.94 0.23 0.00 0.00 176.35 177.02 3hml s SER 107 N -0.81 5.35 0.41 2.29 1.04 -1.26 -2.95 113.70 117.77 3hml s SER 107 Ca 0.19 1.71 0.13 0.00 0.48 0.00 0.00 55.95 58.46 3hml s SER 107 Cb -0.14 -2.51 0.97 0.00 0.10 0.00 0.00 66.02 64.43 3hml s SER 107 CO 0.08 -1.46 1.92 0.03 0.98 0.00 0.00 173.24 174.79 3hml h ARG 108 N -0.45 0.49 -0.36 4.02 3.08 -1.94 -1.57 114.38 117.65 3hml h ARG 108 Ca -0.45 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.50 3hml h ARG 108 Cb 1.22 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 3hml h ARG 108 CO 0.56 0.33 -0.08 0.22 -1.07 0.00 0.00 179.97 179.92 3hml h ASP 109 N 0.51 0.69 -0.63 7.04 3.58 -1.97 0.53 116.42 126.17 3hml h ASP 109 Ca 0.37 -0.36 0.11 0.00 0.42 0.00 0.00 57.03 57.57 3hml h ASP 109 Cb 0.71 -0.19 -0.12 0.00 1.72 0.00 0.00 39.33 41.46 3hml h ASP 109 CO -0.13 0.89 -0.30 0.44 -2.88 0.00 0.00 179.24 177.27 3hml h ASP 110 N 0.48 -1.05 -0.13 2.28 3.32 -1.67 0.14 116.42 119.79 3hml h ASP 110 Ca 0.09 0.23 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 3hml h ASP 110 Cb 0.59 0.55 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 3hml h ASP 110 CO 0.03 -0.29 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.05 3hml h LEU 111 N -0.12 0.35 -0.74 1.55 3.38 -1.20 -3.29 115.31 115.23 3hml h LEU 111 Ca 0.26 -0.49 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 3hml h LEU 111 Cb 0.55 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3hml h LEU 111 CO -0.70 0.77 -0.61 -0.07 0.09 0.00 0.00 178.44 177.92 3hml h LEU 112 N -0.07 0.00 -1.74 1.67 3.38 -0.66 -2.91 115.31 114.98 3hml h LEU 112 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3hml h LEU 112 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3hml h LEU 112 CO 0.03 0.61 -0.05 0.77 0.09 0.00 0.00 178.44 179.89 3hml h SER 113 N 0.00 0.09 -1.71 -0.43 4.64 -0.80 -3.46 113.55 111.88 3hml h SER 113 Ca -0.01 -0.01 -0.38 0.00 -0.47 0.00 0.00 61.79 60.92 3hml h SER 113 Cb 1.11 -0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 63.08 3hml h SER 113 CO 0.08 0.16 -0.41 -0.62 -0.87 0.00 0.00 176.83 175.17 3hml n GLU 114 N -4.42 -1.41 0.15 4.77 1.02 -1.10 -4.91 120.64 114.74 3hml n GLU 114 Ca -0.02 1.06 0.01 0.00 -0.02 0.00 0.00 57.16 58.19 3hml n GLU 114 Cb 0.17 -5.48 0.29 0.00 -0.02 0.00 0.00 31.44 26.40 3hml n GLU 114 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hml h ARG 115 N 0.00 0.07 -0.00 3.49 3.08 -1.86 -3.12 114.38 116.03 3hml h ARG 115 Ca -0.42 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3hml h ARG 115 Cb 1.28 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3hml h ARG 115 CO 0.55 0.47 -0.60 0.72 -1.07 0.00 0.00 179.97 180.05 3hml n HIS 116 N -4.03 0.00 -2.03 3.04 8.25 -1.26 -4.90 115.22 114.28 3hml n HIS 116 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 3hml n HIS 116 Cb 0.46 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 3hml n HIS 116 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hml s VAL 117 N -2.81 2.93 0.30 1.59 1.01 -1.18 -4.81 120.40 117.42 3hml s VAL 117 Ca 0.14 0.66 -0.20 0.00 0.00 0.00 0.00 61.98 62.58 3hml s VAL 117 Cb 0.18 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 3hml s VAL 117 CO 0.69 0.05 0.80 -0.76 0.00 0.00 0.00 175.10 175.88 3hml s LEU 118 N 1.20 4.21 0.23 3.92 1.43 -1.26 -4.91 118.68 123.50 3hml s LEU 118 Ca 0.68 1.50 -0.07 0.00 -1.03 0.00 0.00 54.13 55.21 3hml s LEU 118 Cb -0.41 -3.93 0.31 0.00 0.03 0.00 0.00 46.19 42.20 3hml s LEU 118 CO 0.31 -0.10 1.82 -0.65 0.23 0.00 0.00 176.35 177.95 3hml h PRO 119 N 2.86 0.76 -0.89 1.29 0.11 -1.94 -1.44 132.00 132.75 3hml h PRO 119 Ca -0.48 -0.05 0.12 0.00 0.11 0.00 0.00 66.00 65.70 3hml h PRO 119 Cb 1.19 -0.17 -0.08 0.00 0.11 0.00 0.00 31.00 32.04 3hml h PRO 119 CO 0.65 0.50 0.52 0.78 -0.21 0.00 0.00 178.00 180.24 3hml h GLY 120 N 0.79 1.44 0.92 -0.55 0.00 -1.95 0.14 103.07 103.86 3hml h GLY 120 Ca 0.35 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3hml h GLY 120 CO -0.20 0.10 -0.17 -2.08 0.00 0.00 0.00 176.54 174.18 3hml h VAL 121 N 0.82 0.66 -0.46 4.60 2.07 -1.66 -2.73 116.25 119.55 3hml h VAL 121 Ca 0.45 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.91 3hml h VAL 121 Cb 0.49 0.74 -0.09 0.00 -1.52 0.00 0.00 31.29 30.91 3hml h VAL 121 CO -0.28 0.03 -0.14 -0.09 0.02 0.00 0.00 177.57 177.11 3hml h ARG 122 N -0.56 -0.04 -0.62 1.57 2.43 -0.86 -1.15 114.38 115.15 3hml h ARG 122 Ca -0.05 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3hml h ARG 122 Cb 0.42 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3hml h ARG 122 CO 0.08 -0.02 0.19 0.74 -1.51 0.00 0.00 179.97 179.44 3hml h PHE 123 N -0.04 1.01 -0.01 2.20 0.04 -0.79 0.27 116.94 119.62 3hml h PHE 123 Ca 0.22 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 3hml h PHE 123 Cb 0.37 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 3hml h PHE 123 CO -0.42 0.83 0.01 0.00 -0.60 0.00 0.00 178.31 178.13 3hml h ALA 124 N 1.07 0.02 -0.39 2.45 0.00 -1.24 -1.35 119.26 119.81 3hml h ALA 124 Ca 0.20 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3hml h ALA 124 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hml h ALA 124 CO -0.01 -0.46 -0.12 0.28 0.00 0.00 0.00 179.25 178.95 3hml h VAL 125 N -0.04 1.28 -0.49 0.00 2.07 -1.05 -2.90 116.25 115.12 3hml h VAL 125 Ca 0.00 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 3hml h VAL 125 Cb 0.06 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3hml h VAL 125 CO -0.00 0.41 -0.02 0.44 0.02 0.00 0.00 177.57 178.42 3hml h ASP 126 N 0.58 0.80 -0.92 0.57 5.19 -0.49 -1.99 116.42 120.15 3hml h ASP 126 Ca 0.10 -0.20 0.26 0.00 -0.62 0.00 0.00 57.03 56.56 3hml h ASP 126 Cb 0.65 -0.21 -0.14 0.00 0.18 0.00 0.00 39.33 39.81 3hml h ASP 126 CO 0.04 0.87 0.34 0.00 -3.12 0.00 0.00 179.24 177.38 3hml h ALA 127 N 1.21 1.49 -0.09 3.45 0.00 -1.05 -0.46 119.26 123.81 3hml h ALA 127 Ca 0.14 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3hml h ALA 127 Cb 0.49 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3hml h ALA 127 CO 0.02 -0.49 -0.05 -0.92 0.00 0.00 0.00 179.25 177.82 3hml h TYR 128 N 0.26 0.23 -0.85 0.00 3.20 -1.23 -1.87 116.97 116.71 3hml h TYR 128 Ca 0.61 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.40 3hml h TYR 128 Cb 1.27 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 3hml h TYR 128 CO -0.18 0.57 0.45 1.25 -1.64 0.00 0.00 178.16 178.60 3hml h LEU 129 N -0.17 1.08 -0.79 2.82 5.85 -1.32 -2.04 115.31 120.74 3hml h LEU 129 Ca 0.02 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 3hml h LEU 129 Cb 0.51 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3hml h LEU 129 CO 0.01 0.88 0.16 0.78 -0.34 0.00 0.00 178.44 179.93 3hml h ASN 130 N 1.20 1.02 -0.10 1.25 2.35 -0.98 -0.96 115.58 119.35 3hml h ASN 130 Ca 0.30 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3hml h ASN 130 Cb 0.05 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 3hml h ASN 130 CO -0.05 0.98 0.06 0.15 -1.65 0.00 0.00 177.43 176.92 3hml h PHE 131 N 1.02 0.14 -0.91 1.19 3.57 -1.15 -2.46 116.94 118.34 3hml h PHE 131 Ca 0.21 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.79 3hml h PHE 131 Cb 0.36 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.00 3hml h PHE 131 CO 0.03 0.15 0.59 0.00 -2.23 0.00 0.00 178.31 176.84 3hml h ALA 132 N 0.97 1.56 -0.49 2.41 0.00 -1.20 0.41 119.26 122.91 3hml h ALA 132 Ca 0.04 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hml h ALA 132 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3hml h ALA 132 CO -0.01 0.28 0.30 -0.09 0.00 0.00 0.00 179.25 179.74 3hml h ARG 133 N 0.98 0.58 0.00 0.00 2.43 -1.04 -3.38 114.38 113.95 3hml h ARG 133 Ca 0.40 -0.03 -0.32 0.00 -0.81 0.00 0.00 59.98 59.22 3hml h ARG 133 Cb 0.29 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 3hml h ARG 133 CO -0.16 0.38 -2.27 0.54 -1.51 0.00 0.00 179.97 176.94 3hml n ARG 134 N -4.80 0.86 -1.80 0.20 1.74 -0.88 -4.98 116.66 107.00 3hml n ARG 134 Ca 0.03 -0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3hml n ARG 134 Cb 0.07 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.04 3hml n ARG 134 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hml s ALA 135 N -2.55 2.82 0.73 7.54 0.00 0.14 -5.03 121.76 125.41 3hml s ALA 135 Ca -0.09 0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.84 3hml s ALA 135 Cb 0.06 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 20.06 3hml s ALA 135 CO 0.79 -0.94 1.20 0.00 0.00 0.00 0.00 175.76 176.81 3hml h TRP 137 N -0.31 0.66 -0.03 0.00 5.08 -1.87 -2.85 115.95 116.62 3hml h TRP 137 Ca -0.47 -0.02 -0.00 0.00 1.08 0.00 0.00 58.89 59.48 3hml h TRP 137 Cb 1.29 -0.21 -0.00 0.00 -3.00 0.00 0.00 29.16 27.24 3hml h TRP 137 CO 0.48 0.50 0.02 1.96 -1.28 0.00 0.00 178.44 180.12 3hml h GLN 138 N 0.67 0.04 -0.88 0.12 7.50 -1.93 0.94 115.11 121.57 3hml h GLN 138 Ca 0.17 -0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.29 3hml h GLN 138 Cb 0.09 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.57 3hml h GLN 138 CO -0.02 0.06 0.46 0.93 -1.50 0.00 0.00 178.83 178.76 3hml h GLU 139 N 0.01 1.24 -0.15 1.46 5.08 -1.89 0.41 114.58 120.74 3hml h GLU 139 Ca 0.01 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 3hml h GLU 139 Cb 0.03 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 3hml h GLU 139 CO -0.00 0.92 -0.22 0.00 -1.00 0.00 0.00 179.01 178.71 3hml h ALA 140 N 1.25 0.23 -0.33 3.43 0.00 -1.43 -2.78 119.26 119.63 3hml h ALA 140 Ca 0.31 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hml h ALA 140 Cb 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hml h ALA 140 CO -0.05 0.18 0.14 0.00 0.00 0.00 0.00 179.25 179.53 3hml h ALA 141 N 0.58 0.39 -0.13 0.00 0.00 -0.57 -2.63 119.26 116.90 3hml h ALA 141 Ca 0.02 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hml h ALA 141 Cb 0.79 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3hml h ALA 141 CO 0.05 -0.25 0.09 0.00 0.00 0.00 0.00 179.25 179.15 3hml n SER 143 N -4.50 0.07 0.18 0.00 3.41 -0.99 -2.00 113.62 109.79 3hml n SER 143 Ca -0.00 0.52 0.14 0.00 -0.26 0.00 0.00 58.87 59.27 3hml n SER 143 Cb 0.20 -0.54 0.54 0.00 -0.26 0.00 0.00 64.21 64.15 3hml n SER 143 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hml h SER 144 N 0.00 0.00 0.00 4.04 4.64 -1.51 -3.35 113.55 117.37 3hml h SER 144 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hml h SER 144 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3hml h SER 144 CO 0.00 0.00 0.07 0.18 -0.87 0.00 0.00 176.83 176.21 3hml n LEU 145 N -2.58 0.43 0.29 5.97 4.77 -0.85 -2.02 117.00 123.00 3hml n LEU 145 Ca 0.02 0.67 0.20 0.00 -0.03 0.00 0.00 56.01 56.86 3hml n LEU 145 Cb 0.29 -0.70 1.00 0.00 -2.33 0.00 0.00 43.42 41.67 3hml n LEU 145 CO 0.24 -0.81 1.08 0.71 -1.33 0.00 0.00 177.39 177.28 3hml h THR 146 N 0.00 0.00 -0.65 -5.08 1.35 -1.85 -1.15 112.91 105.53 3hml h THR 146 Ca 0.00 -0.11 0.19 0.00 -0.55 0.00 0.00 66.41 65.94 3hml h THR 146 Cb 0.15 1.02 -0.03 0.00 -1.73 0.00 0.00 68.15 67.56 3hml h THR 146 CO 0.00 0.00 0.48 -0.33 -0.25 0.00 0.00 175.52 175.42 3hml h GLU 147 N 0.00 0.00 -0.36 4.72 5.08 -1.75 -1.65 114.58 120.62 3hml h GLU 147 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 3hml h GLU 147 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3hml h GLU 147 CO 0.00 0.00 0.25 -0.07 -1.00 0.00 0.00 179.01 178.19 3hml h LEU 148 N 0.00 0.05 -0.32 1.33 3.38 -1.46 -2.58 115.31 115.72 3hml h LEU 148 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3hml h LEU 148 Cb 1.27 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3hml h LEU 148 CO -0.00 0.03 -0.19 0.49 0.09 0.00 0.00 178.44 178.86 3hml n PHE 149 N -4.45 0.00 -0.03 1.13 3.72 -0.62 -4.51 117.46 112.70 3hml n PHE 149 Ca 0.05 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.33 3hml n PHE 149 Cb 0.39 -0.17 -0.08 0.00 -0.94 0.00 0.00 39.48 38.68 3hml n PHE 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hml h ALA 150 N 3.58 0.10 -2.12 4.37 0.00 -1.52 -3.51 119.26 120.16 3hml h ALA 150 Ca 0.00 -0.25 -0.56 0.00 0.00 0.00 0.00 54.91 54.10 3hml h ALA 150 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3hml h ALA 150 CO 0.00 -0.13 1.05 -1.25 0.00 0.00 0.00 179.25 178.92 3hml s PRO 151 N -4.50 4.01 0.00 0.00 0.04 -1.26 -5.15 135.00 128.13 3hml s PRO 151 Ca -0.15 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.66 3hml s PRO 151 Cb 0.04 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.63 3hml s PRO 151 CO 0.71 -1.02 0.00 0.45 0.04 0.00 0.00 177.00 177.17 3hml n SER 160 N 7.59 0.00 -0.16 6.66 2.88 -1.26 -5.26 113.62 124.07 3hml n SER 160 Ca 0.17 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.66 3hml n SER 160 Cb 0.45 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.91 3hml n SER 160 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3hml h TRP 161 N 0.00 -0.78 -1.07 0.66 4.06 -1.93 -2.39 115.95 114.50 3hml h TRP 161 Ca 0.00 0.06 0.29 0.00 2.06 0.00 0.00 58.89 61.31 3hml h TRP 161 Cb 0.00 0.42 -0.06 0.00 -1.00 0.00 0.00 29.16 28.51 3hml h TRP 161 CO 0.00 -0.36 0.74 -1.00 -3.56 0.00 0.00 178.44 174.26 3hml h PRO 162 N -0.17 0.16 0.11 0.49 0.13 -1.96 0.57 132.00 131.33 3hml h PRO 162 Ca 0.22 -0.01 -0.31 0.00 -0.87 0.00 0.00 66.00 65.03 3hml h PRO 162 Cb 0.52 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 3hml h PRO 162 CO -0.60 0.11 -1.61 0.37 -0.23 0.00 0.00 178.00 176.03 3hml h GLN 163 N 0.17 0.23 0.05 0.86 4.15 -1.86 -3.12 115.11 115.59 3hml h GLN 163 Ca 0.55 -0.40 -0.27 0.00 0.77 0.00 0.00 58.65 59.30 3hml h GLN 163 Cb 1.83 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 29.65 3hml h GLN 163 CO -0.13 1.08 -1.37 0.45 -1.93 0.00 0.00 178.83 176.93 3hml h HIS 164 N 0.06 0.20 -2.22 3.99 3.86 -1.18 -3.41 115.15 116.45 3hml h HIS 164 Ca -0.27 -0.14 -0.59 0.00 -1.16 0.00 0.00 60.37 58.21 3hml h HIS 164 Cb 2.02 -0.01 -0.41 0.00 1.06 0.00 0.00 27.41 30.08 3hml h HIS 164 CO 0.06 1.16 -0.82 0.66 0.86 0.00 0.00 177.93 179.85 3hml n TYR 165 N -3.33 1.72 0.36 2.45 4.01 0.19 -4.97 117.16 117.58 3hml n TYR 165 Ca -0.10 -3.88 0.04 0.00 -0.16 0.00 0.00 57.90 53.80 3hml n TYR 165 Cb 1.01 -0.42 0.20 0.00 -0.31 0.00 0.00 39.34 39.82 3hml n TYR 165 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3hml n PRO 166 N 1.33 0.10 0.00 -0.72 -0.04 -1.18 -1.16 135.00 133.33 3hml n PRO 166 Ca 0.26 0.23 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 3hml n PRO 166 Cb 0.46 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.87 3hml n PRO 166 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3hml n TRP 167 N -1.32 0.00 -2.34 0.54 4.27 -1.26 -4.83 117.44 112.50 3hml n TRP 167 Ca 0.03 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.24 3hml n TRP 167 Cb 0.07 -0.15 -0.03 0.00 -1.36 0.00 0.00 31.31 29.83 3hml n TRP 167 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3hml s ILE 168 N -2.51 3.37 0.00 -1.67 1.01 -0.31 -4.90 121.20 116.19 3hml s ILE 168 Ca 0.25 1.24 -0.29 0.00 0.00 0.00 0.00 60.65 61.85 3hml s ILE 168 Cb 0.19 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 3hml s ILE 168 CO 0.51 0.24 0.93 -0.54 0.00 0.00 0.00 174.94 176.08 3hml s LYS 169 N -0.80 4.55 0.10 2.79 1.02 -0.33 -4.99 119.74 122.09 3hml s LYS 169 Ca 0.50 1.34 -0.22 0.00 0.02 0.00 0.00 55.97 57.61 3hml s LYS 169 Cb -0.34 -3.45 -0.06 0.00 -0.52 0.00 0.00 37.83 33.46 3hml s LYS 169 CO 0.41 -0.00 1.38 1.05 -0.92 0.00 0.00 175.35 177.26 3hml h GLU 170 N 6.65 -0.09 -0.14 1.68 9.09 -1.93 -2.66 114.58 127.18 3hml h GLU 170 Ca -0.41 0.01 -0.01 0.00 0.05 0.00 0.00 59.36 58.99 3hml h GLU 170 Cb 1.22 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 28.33 3hml h GLU 170 CO 0.75 -0.06 0.04 0.93 0.05 0.00 0.00 179.01 180.72 3hml h GLU 171 N -0.09 0.21 -0.72 1.06 5.08 -1.98 -0.32 114.58 117.82 3hml h GLU 171 Ca 0.09 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3hml h GLU 171 Cb 0.33 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3hml h GLU 171 CO -0.58 0.34 0.26 0.78 -1.00 0.00 0.00 179.01 178.81 3hml h GLY 172 N 0.04 1.16 0.82 -3.84 0.00 -1.80 0.16 103.07 99.62 3hml h GLY 172 Ca 0.04 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3hml h GLY 172 CO -0.00 0.61 -0.05 -1.82 0.00 0.00 0.00 176.54 175.27 3hml h TYR 173 N 1.05 -0.14 0.17 5.60 3.20 -1.26 -1.11 116.97 124.48 3hml h TYR 173 Ca 0.24 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 3hml h TYR 173 Cb 0.24 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3hml h TYR 173 CO 0.02 0.07 -0.12 0.35 -1.64 0.00 0.00 178.16 176.84 3hml h PHE 174 N -0.33 -0.31 -1.00 -3.82 3.57 -0.93 -2.08 116.94 112.04 3hml h PHE 174 Ca -0.02 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.68 3hml h PHE 174 Cb 0.27 0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.02 3hml h PHE 174 CO -0.01 -0.19 0.60 -0.92 -2.23 0.00 0.00 178.31 175.56 3hml h TYR 175 N -0.29 1.05 -0.25 0.41 3.20 -0.69 0.54 116.97 120.93 3hml h TYR 175 Ca -0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3hml h TYR 175 Cb 0.26 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 3hml h TYR 175 CO -0.10 0.21 -0.01 0.35 -1.64 0.00 0.00 178.16 176.97 3hml h PHE 176 N 0.73 0.49 -0.47 -3.82 3.57 -0.91 0.37 116.94 116.91 3hml h PHE 176 Ca 0.59 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.92 3hml h PHE 176 Cb 0.94 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 3hml h PHE 176 CO -0.01 0.62 -0.02 0.00 -2.23 0.00 0.00 178.31 176.67 3hml h ARG 177 N 0.22 0.78 0.63 1.11 3.08 -0.66 -2.84 114.38 116.71 3hml h ARG 177 Ca 0.07 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 3hml h ARG 177 Cb 0.43 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.39 3hml h ARG 177 CO 0.01 0.80 -0.30 0.77 -1.07 0.00 0.00 179.97 180.18 3hml h SER 178 N 0.73 -0.72 0.06 7.04 0.02 0.19 -3.08 113.55 117.79 3hml h SER 178 Ca 0.14 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3hml h SER 178 Cb 0.47 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3hml h SER 178 CO 0.02 -0.47 0.00 -1.14 -1.14 0.00 0.00 176.83 174.10 3hml n ARG 179 N -4.56 0.07 0.11 3.45 0.00 0.11 -2.09 116.66 113.75 3hml n ARG 179 Ca -0.11 0.54 -0.05 0.00 -0.00 0.00 0.00 57.85 58.23 3hml n ARG 179 Cb 0.34 -1.72 -0.03 0.00 0.00 0.00 0.00 32.46 31.05 3hml n ARG 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3hml h LEU 180 N 0.00 -0.36 0.00 6.15 5.85 -1.40 -3.48 115.31 122.07 3hml h LEU 180 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3hml h LEU 180 Cb 0.03 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3hml h LEU 180 CO 0.00 -0.21 0.00 -1.20 -0.34 0.00 0.00 178.44 176.69 3hml n SER 181 N -3.11 0.00 0.00 1.25 7.64 -0.89 -5.12 113.62 113.40 3hml n SER 181 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 3hml n SER 181 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 3hml n SER 181 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3hml n ASP 186 N 0.93 0.00 -0.00 6.43 8.00 -1.26 -5.17 116.55 125.47 3hml n ASP 186 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 3hml n ASP 186 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 3hml n ASP 186 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3hml n VAL 187 N 0.00 1.38 0.03 2.53 0.31 -1.26 -3.70 118.33 117.62 3hml n VAL 187 Ca 0.00 -0.75 0.02 0.00 -0.01 0.00 0.00 64.34 63.60 3hml n VAL 187 Cb 0.00 -0.85 0.10 0.00 -0.91 0.00 0.00 33.84 32.18 3hml n VAL 187 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hml n GLU 188 N -2.94 0.02 -0.08 5.55 1.02 -1.26 -2.99 120.64 119.96 3hml n GLU 188 Ca -0.14 0.45 -0.12 0.00 -0.02 0.00 0.00 57.16 57.32 3hml n GLU 188 Cb 0.96 -1.68 -0.08 0.00 -0.02 0.00 0.00 31.44 30.61 3hml n GLU 188 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3hml h HIS 189 N 0.00 0.00 0.00 -0.32 2.76 -2.00 -3.34 115.15 112.25 3hml h HIS 189 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3hml h HIS 189 Cb 0.21 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.17 3hml h HIS 189 CO 0.00 0.79 0.00 0.41 -1.30 0.00 0.00 177.93 177.83 3hml n GLY 190 N 1.59 -1.50 0.10 5.26 0.00 -1.16 -1.43 105.19 108.06 3hml n GLY 190 Ca -0.14 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 3hml n GLY 190 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hml n LEU 191 N -1.87 1.31 -0.21 0.99 7.94 -1.24 -2.64 117.00 121.28 3hml n LEU 191 Ca 0.06 0.23 -0.05 0.00 -1.11 0.00 0.00 56.01 55.14 3hml n LEU 191 Cb 0.34 -0.16 0.12 0.00 0.53 0.00 0.00 43.42 44.25 3hml n LEU 191 CO 0.26 0.57 1.00 0.00 -1.11 0.00 0.00 177.39 178.11 3hml h ALA 192 N 0.69 1.11 -0.46 1.96 0.00 -1.62 -0.02 119.26 120.92 3hml h ALA 192 Ca -0.40 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 3hml h ALA 192 Cb 2.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3hml h ALA 192 CO 0.06 0.61 -0.17 1.25 0.00 0.00 0.00 179.25 181.00 3hml h LEU 193 N 0.98 0.95 -0.43 0.00 5.85 -1.35 -2.04 115.31 119.28 3hml h LEU 193 Ca 0.22 -0.38 -0.16 0.00 0.84 0.00 0.00 57.88 58.40 3hml h LEU 193 Cb 0.28 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3hml h LEU 193 CO -0.01 1.12 -0.39 0.00 -0.34 0.00 0.00 178.44 178.82 3hml h ALA 194 N 0.86 0.61 -0.06 1.25 0.00 -1.24 0.21 119.26 120.90 3hml h ALA 194 Ca 0.11 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 3hml h ALA 194 Cb 0.73 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3hml h ALA 194 CO 0.06 0.68 -0.43 0.87 0.00 0.00 0.00 179.25 180.43 3hml h LYS 195 N 0.73 0.12 0.16 0.00 1.57 -1.01 0.13 116.57 118.27 3hml h LYS 195 Ca 0.06 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 3hml h LYS 195 Cb 0.97 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.30 3hml h LYS 195 CO 0.09 0.53 -1.18 0.00 -0.57 0.00 0.00 179.45 178.32 3hml h ALA 196 N 1.46 -0.02 0.17 3.86 0.00 -1.26 -3.38 119.26 120.10 3hml h ALA 196 Ca 0.01 -0.87 -0.30 0.00 0.00 0.00 0.00 54.91 53.75 3hml h ALA 196 Cb 0.80 0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.86 3hml h ALA 196 CO 0.06 0.61 -1.33 -0.92 0.00 0.00 0.00 179.25 177.67 3hml h TYR 197 N -0.21 0.83 -1.89 0.00 3.20 -0.97 -3.40 116.97 114.52 3hml h TYR 197 Ca -0.22 -0.58 -0.73 0.00 3.14 0.00 0.00 58.73 60.34 3hml h TYR 197 Cb 1.82 -0.04 -0.16 0.00 1.54 0.00 0.00 36.73 39.89 3hml h TYR 197 CO 0.16 1.44 1.55 0.00 -1.64 0.00 0.00 178.16 179.67 3hml n ASP 199 N 6.00 2.78 -4.18 0.00 5.75 -1.26 -4.52 116.55 121.12 3hml n ASP 199 Ca 0.39 -2.07 -0.12 0.00 -0.01 0.00 0.00 54.79 52.98 3hml n ASP 199 Cb 0.43 -0.20 -0.10 0.00 -1.03 0.00 0.00 41.12 40.21 3hml n ASP 199 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3hml s SER 200 N -1.08 1.33 0.30 -1.12 1.04 -1.26 -5.03 113.70 107.88 3hml s SER 200 Ca 0.20 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.67 3hml s SER 200 Cb 0.11 0.05 0.48 0.00 0.10 0.00 0.00 66.02 66.76 3hml s SER 200 CO 0.12 -0.39 1.88 0.00 0.98 0.00 0.00 173.24 175.83 3hml h ALA 201 N 3.09 1.32 -0.71 5.32 0.00 -1.91 -1.86 119.26 124.51 3hml h ALA 201 Ca -0.36 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3hml h ALA 201 Cb 1.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3hml h ALA 201 CO 0.61 0.50 0.23 0.93 0.00 0.00 0.00 179.25 181.53 3hml h GLU 202 N 0.80 1.10 0.04 0.00 3.07 -1.95 -0.45 114.58 117.20 3hml h GLU 202 Ca 0.19 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3hml h GLU 202 Cb 0.18 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3hml h GLU 202 CO -0.02 0.94 -0.02 0.87 -1.40 0.00 0.00 179.01 179.38 3hml h LYS 203 N 1.04 -0.05 -0.65 2.33 1.57 -1.88 -2.41 116.57 116.53 3hml h LYS 203 Ca 0.23 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.08 3hml h LYS 203 Cb 0.29 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.51 3hml h LYS 203 CO -0.01 0.43 -0.55 1.96 -0.57 0.00 0.00 179.45 180.71 3hml h GLN 204 N -0.56 -0.23 -0.94 3.15 4.20 -1.36 0.15 115.11 119.52 3hml h GLN 204 Ca -0.01 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.77 3hml h GLN 204 Cb 0.51 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.28 3hml h GLN 204 CO 0.01 -0.15 0.62 -0.91 -0.67 0.00 0.00 178.83 177.73 3hml h ASN 205 N -0.23 1.00 -0.35 1.46 2.35 -1.15 -0.99 115.58 117.67 3hml h ASN 205 Ca 0.12 -0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.70 3hml h ASN 205 Cb 0.53 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 3hml h ASN 205 CO -0.74 0.67 -0.43 -0.09 -1.65 0.00 0.00 177.43 175.20 3hml h ARG 206 N 1.15 0.92 -0.23 0.81 2.43 -1.05 -2.39 114.38 116.02 3hml h ARG 206 Ca 0.39 -0.51 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 3hml h ARG 206 Cb 0.07 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3hml h ARG 206 CO -0.13 1.16 0.02 1.98 -1.51 0.00 0.00 179.97 181.49 3hml h MET 207 N 0.74 0.33 -0.10 0.20 4.05 -0.45 0.10 114.93 119.81 3hml h MET 207 Ca 0.05 -0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 59.27 3hml h MET 207 Cb 1.02 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.75 3hml h MET 207 CO 0.10 0.35 -0.58 -0.07 0.23 0.00 0.00 176.91 176.94 3hml h LEU 208 N 0.33 0.35 -0.24 3.39 3.38 -1.05 -1.74 115.31 119.73 3hml h LEU 208 Ca 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3hml h LEU 208 Cb 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hml h LEU 208 CO 0.00 0.85 0.06 -0.08 0.09 0.00 0.00 178.44 179.36 3hml h GLU 209 N 0.23 0.38 -0.78 1.13 4.57 -1.13 -0.48 114.58 118.50 3hml h GLU 209 Ca -0.00 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.09 3hml h GLU 209 Cb 1.08 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.58 3hml h GLU 209 CO 0.09 0.49 0.51 0.82 -1.18 0.00 0.00 179.01 179.75 3hml h ILE 210 N 0.21 1.20 -0.29 2.32 2.04 -0.97 -0.46 117.51 121.55 3hml h ILE 210 Ca 0.07 -0.37 -0.13 0.00 1.00 0.00 0.00 64.86 65.43 3hml h ILE 210 Cb 0.28 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3hml h ILE 210 CO 0.00 0.20 -0.36 0.25 0.00 0.00 0.00 178.15 178.24 3hml h LEU 211 N 1.06 0.69 0.04 1.44 5.85 -1.22 -2.33 115.31 120.83 3hml h LEU 211 Ca 0.28 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hml h LEU 211 Cb -0.12 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.72 3hml h LEU 211 CO -0.06 0.98 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.39 3hml h GLN 212 N 0.55 -0.05 -0.98 1.25 5.75 -0.69 -0.85 115.11 120.10 3hml h GLN 212 Ca 0.06 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.67 3hml h GLN 212 Cb 0.87 0.01 -0.13 0.00 1.07 0.00 0.00 27.48 29.30 3hml h GLN 212 CO 0.08 -0.01 -0.51 0.34 -2.65 0.00 0.00 178.83 176.07 3hml n PHE 213 N -5.10 -0.28 -0.20 3.99 7.35 -0.22 -0.01 117.46 123.00 3hml n PHE 213 Ca -0.07 1.22 -0.03 0.00 -0.76 0.00 0.00 57.45 57.80 3hml n PHE 213 Cb 0.06 -0.67 0.07 0.00 0.35 0.00 0.00 39.48 39.28 3hml n PHE 213 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3hml h LYS 214 N 0.00 0.59 -0.93 -4.13 1.63 -1.28 -1.90 116.57 110.56 3hml h LYS 214 Ca 0.22 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.99 3hml h LYS 214 Cb 0.46 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.91 3hml h LYS 214 CO -0.94 0.39 0.61 -0.07 -3.45 0.00 0.00 179.45 175.99 3hml h LEU 215 N 0.61 1.07 -0.86 5.20 3.38 -0.02 -2.68 115.31 122.02 3hml h LEU 215 Ca 0.25 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3hml h LEU 215 Cb 0.13 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3hml h LEU 215 CO -0.15 0.79 0.42 0.44 0.09 0.00 0.00 178.44 180.02 3hml h ASP 216 N 1.26 1.12 0.07 -0.43 3.32 0.09 -2.22 116.42 119.63 3hml h ASP 216 Ca 0.34 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.27 3hml h ASP 216 Cb -0.13 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.10 3hml h ASP 216 CO -0.07 0.94 -0.18 0.40 -1.72 0.00 0.00 179.24 178.60 3hml h ILE 217 N 1.22 0.58 -0.45 0.35 2.04 -1.16 0.23 117.51 120.32 3hml h ILE 217 Ca 0.30 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.20 3hml h ILE 217 Cb 0.11 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 3hml h ILE 217 CO -0.04 0.00 0.20 -0.07 0.00 0.00 0.00 178.15 178.24 3hml h LEU 218 N -0.33 0.27 -0.06 1.44 3.38 -1.36 -1.69 115.31 116.95 3hml h LEU 218 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hml h LEU 218 Cb 0.37 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3hml h LEU 218 CO -0.12 0.19 0.00 -0.25 0.09 0.00 0.00 178.44 178.35 3hml h TRP 219 N 0.40 0.11 -0.91 1.13 2.91 -1.32 -3.07 115.95 115.19 3hml h TRP 219 Ca 0.20 -0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.36 3hml h TRP 219 Cb 0.14 -0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 28.69 3hml h TRP 219 CO -0.12 0.36 0.59 0.77 -1.03 0.00 0.00 178.44 179.01 3hml h SER 220 N -0.17 0.62 -0.58 2.65 0.02 -0.38 -1.70 113.55 114.00 3hml h SER 220 Ca 0.02 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3hml h SER 220 Cb 0.31 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3hml h SER 220 CO 0.00 0.29 0.30 0.24 -1.14 0.00 0.00 176.83 176.52 3hml h MET 221 N 0.64 0.81 0.00 3.45 2.86 -1.22 -2.28 114.93 119.19 3hml h MET 221 Ca 0.47 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.91 3hml h MET 221 Cb 0.85 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 3hml h MET 221 CO -0.22 0.64 -0.45 -0.07 1.06 0.00 0.00 176.91 177.87 3hml h LEU 222 N 0.78 0.00 -0.23 1.22 3.38 -1.30 -2.59 115.31 116.57 3hml h LEU 222 Ca 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3hml h LEU 222 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hml h LEU 222 CO -0.03 0.45 0.06 0.44 0.09 0.00 0.00 178.44 179.45 3hml h ASP 223 N 0.00 0.34 -0.55 -0.43 3.32 -1.10 0.14 116.42 118.14 3hml h ASP 223 Ca -0.00 -0.22 0.09 0.00 0.02 0.00 0.00 57.03 56.92 3hml h ASP 223 Cb 0.94 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.33 3hml h ASP 223 CO 0.06 0.47 0.17 0.00 -1.72 0.00 0.00 179.24 178.21 3hml h ALA 224 N 0.88 0.67 -0.10 3.45 0.00 -1.40 -0.55 119.26 122.22 3hml h ALA 224 Ca 0.07 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3hml h ALA 224 Cb 0.25 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hml h ALA 224 CO -0.00 -0.24 -0.63 0.52 0.00 0.00 0.00 179.25 178.90 3hml h MET 225 N 0.33 0.35 0.36 0.00 2.86 -1.37 -2.46 114.93 115.01 3hml h MET 225 Ca 0.28 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3hml h MET 225 Cb 0.35 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 3hml h MET 225 CO -0.31 0.87 -0.21 1.15 1.06 0.00 0.00 176.91 179.47 3hml h THR 226 N 0.26 0.56 -0.75 2.22 2.02 -0.76 0.10 112.91 116.56 3hml h THR 226 Ca -0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.26 3hml h THR 226 Cb 1.16 0.56 -0.07 0.00 -1.74 0.00 0.00 68.15 68.07 3hml h THR 226 CO 0.10 0.00 0.41 0.24 0.37 0.00 0.00 175.52 176.64 3hml h MET 227 N -0.54 0.68 0.19 6.66 2.86 -1.04 0.17 114.93 123.93 3hml h MET 227 Ca -0.04 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3hml h MET 227 Cb 0.44 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3hml h MET 227 CO 0.05 0.45 -0.09 0.00 1.06 0.00 0.00 176.91 178.37 3hml h ALA 228 N 1.42 -0.26 0.00 6.32 0.00 -1.40 0.25 119.26 125.59 3hml h ALA 228 Ca 0.36 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3hml h ALA 228 Cb 0.32 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3hml h ALA 228 CO -0.24 -0.33 -1.86 0.66 0.00 0.00 0.00 179.25 177.48 3hml n TYR 229 N -4.95 0.00 -0.02 0.00 4.01 0.35 -3.10 117.16 113.44 3hml n TYR 229 Ca -0.07 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.59 3hml n TYR 229 Cb 0.25 -0.55 -0.14 0.00 -0.31 0.00 0.00 39.34 38.60 3hml n TYR 229 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hml n ALA 230 N -2.30 1.56 0.35 -0.72 0.00 -0.05 -4.56 120.51 114.79 3hml n ALA 230 Ca -0.14 -0.81 0.04 0.00 0.00 0.00 0.00 53.44 52.53 3hml n ALA 230 Cb 0.70 -0.78 -0.00 0.00 0.00 0.00 0.00 19.45 19.37 3hml n ALA 230 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hml n LEU 231 N -2.98 1.03 -1.65 0.00 4.77 0.41 -4.99 117.00 113.59 3hml n LEU 231 Ca -0.18 -0.75 -0.15 0.00 -0.03 0.00 0.00 56.01 54.90 3hml n LEU 231 Cb 1.03 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.11 3hml n LEU 231 CO 0.44 0.21 -0.19 0.00 -1.33 0.00 0.00 177.39 176.53 3hml n GLN 232 N -0.35 -1.18 -2.73 3.23 3.00 -1.09 -4.92 117.38 113.35 3hml n GLN 232 Ca 0.03 0.75 -0.26 0.00 -0.01 0.00 0.00 57.00 57.51 3hml n GLN 232 Cb 0.16 -5.06 -0.02 0.00 0.00 0.00 0.00 30.24 25.32 3hml n GLN 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3hml n ARG 233 N -2.44 3.14 -1.13 -1.09 1.74 0.86 -4.97 116.66 112.78 3hml n ARG 233 Ca -0.17 -4.57 -0.29 0.00 -0.77 0.00 0.00 57.85 52.04 3hml n ARG 233 Cb 0.62 -2.18 0.16 0.00 -1.02 0.00 0.00 32.46 30.04 3hml n ARG 233 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3hml s PRO 234 N -3.45 0.85 0.21 5.56 0.04 -1.23 -4.13 135.00 132.86 3hml s PRO 234 Ca 0.47 0.75 -0.31 0.00 0.04 0.00 0.00 61.00 61.96 3hml s PRO 234 Cb 0.35 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.97 3hml s PRO 234 CO -0.15 -2.51 1.11 -2.30 0.04 0.00 0.00 177.00 173.19 3hml n PRO 235 N -4.05 1.24 -1.51 0.56 -0.02 -1.26 -1.91 135.00 128.04 3hml n PRO 235 Ca 0.06 0.44 -0.17 0.00 -2.02 0.00 0.00 63.50 61.81 3hml n PRO 235 Cb 0.56 -1.89 -0.07 0.00 -0.02 0.00 0.00 33.50 32.07 3hml n PRO 235 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hml n TYR 236 N 1.08 0.00 -0.16 6.00 4.01 -1.26 -4.81 117.16 122.02 3hml n TYR 236 Ca 0.13 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 58.07 3hml n TYR 236 Cb 0.27 -3.01 0.59 0.00 -0.31 0.00 0.00 39.34 36.88 3hml n TYR 236 CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 3hml h HIS 237 N 0.00 0.30 0.00 -0.72 2.07 -1.53 0.90 115.15 116.17 3hml h HIS 237 Ca -0.36 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.17 3hml h HIS 237 Cb 1.15 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 31.03 3hml h HIS 237 CO 0.50 0.10 0.00 0.25 -3.07 0.00 0.00 177.93 175.70 3hml n THR 238 N -4.43 0.59 -0.05 6.12 -2.24 -1.26 -4.09 114.28 108.93 3hml n THR 238 Ca 0.16 0.14 -0.08 0.00 -2.27 0.00 0.00 64.05 61.99 3hml n THR 238 Cb 0.68 -0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 68.08 3hml n THR 238 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3hml n VAL 239 N -1.54 0.51 -4.02 2.28 0.31 -0.07 -5.07 118.33 110.72 3hml n VAL 239 Ca 0.05 -0.16 -0.08 0.00 -0.01 0.00 0.00 64.34 64.13 3hml n VAL 239 Cb 0.24 -1.23 -0.11 0.00 -0.91 0.00 0.00 33.84 31.84 3hml n VAL 239 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3hml s THR 240 N -2.17 0.17 -0.75 2.52 -1.32 0.11 -5.03 115.64 109.17 3hml s THR 240 Ca -0.12 -1.25 0.25 0.00 -1.21 0.00 0.00 61.69 59.36 3hml s THR 240 Cb 0.04 -0.73 0.15 0.00 -1.51 0.00 0.00 72.50 70.45 3hml s THR 240 CO 0.18 -0.68 1.57 0.47 -2.21 0.00 0.00 174.62 173.95 3hml n ASP 241 N 1.05 0.65 -4.92 8.08 8.00 -1.26 -4.09 116.55 124.05 3hml n ASP 241 Ca -0.20 0.29 -0.27 0.00 0.71 0.00 0.00 54.79 55.32 3hml n ASP 241 Cb 0.57 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 3hml n ASP 241 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hml s LYS 242 N -3.11 3.57 -0.06 -1.24 1.02 -1.26 -5.04 119.74 113.62 3hml s LYS 242 Ca 0.09 -0.17 -0.30 0.00 0.02 0.00 0.00 55.97 55.61 3hml s LYS 242 Cb 0.14 -2.72 -0.05 0.00 -0.52 0.00 0.00 37.83 34.67 3hml s LYS 242 CO 0.65 0.28 1.65 0.00 -0.92 0.00 0.00 175.35 177.00 3hml s ALA 243 N -2.03 3.62 0.00 5.17 0.00 -1.26 -4.86 121.76 122.40 3hml s ALA 243 Ca 0.41 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3hml s ALA 243 Cb -0.11 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.27 3hml s ALA 243 CO 0.30 -1.39 0.50 0.00 0.00 0.00 0.00 175.76 175.18 3hml n ALA 244 N 7.12 1.72 -1.16 0.00 0.00 -1.26 -5.07 120.51 121.86 3hml n ALA 244 Ca 0.17 -0.50 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 3hml n ALA 244 Cb 0.43 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.98 3hml n ALA 244 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3hml s TRP 245 N -0.22 2.40 0.46 0.00 -2.14 -1.26 -5.01 118.94 113.17 3hml s TRP 245 Ca 0.00 1.60 -0.22 0.00 2.66 0.00 0.00 56.10 60.14 3hml s TRP 245 Cb 0.00 -3.11 -0.08 0.00 -3.10 0.00 0.00 33.47 27.19 3hml s TRP 245 CO 0.00 -1.98 1.12 -3.38 -2.66 0.00 0.00 176.95 170.04 3hml s HIS 246 N -2.84 2.96 -0.10 1.66 -3.43 -1.26 -4.98 115.29 107.30 3hml s HIS 246 Ca 0.62 1.57 0.14 0.00 -0.80 0.00 0.00 55.06 56.59 3hml s HIS 246 Cb -0.18 -3.27 0.28 0.00 -1.43 0.00 0.00 32.58 27.98 3hml s HIS 246 CO 0.56 -1.22 1.14 0.25 -2.00 0.00 0.00 174.74 173.47 3hml n THR 247 N -0.57 1.25 -4.65 -5.38 -2.24 -1.26 -4.84 114.28 96.59 3hml n THR 247 Ca 0.08 -1.79 -0.23 0.00 -2.27 0.00 0.00 64.05 59.84 3hml n THR 247 Cb 0.49 0.12 -0.15 0.00 -2.10 0.00 0.00 70.33 68.69 3hml n THR 247 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hml s THR 248 N -1.87 1.13 -1.05 4.28 2.01 -1.26 -4.78 115.64 114.09 3hml s THR 248 Ca 0.26 -0.59 -0.22 0.00 0.31 0.00 0.00 61.69 61.45 3hml s THR 248 Cb 0.25 -0.95 0.04 0.00 0.01 0.00 0.00 72.50 71.86 3hml s THR 248 CO -0.03 0.32 1.54 -0.13 -0.69 0.00 0.00 174.62 175.63 3hml s ARG 249 N -0.21 3.55 0.27 4.92 0.52 -1.26 -4.90 118.95 121.84 3hml s ARG 249 Ca 0.03 -1.19 -0.04 0.00 -0.52 0.00 0.00 55.73 54.02 3hml s ARG 249 Cb -0.07 -5.36 0.34 0.00 0.52 0.00 0.00 34.95 30.38 3hml s ARG 249 CO -0.00 -2.34 1.89 -0.07 0.02 0.00 0.00 175.30 174.80 3hml h LEU 250 N 13.24 0.98 -0.32 2.53 3.38 -1.97 -2.03 115.31 131.12 3hml h LEU 250 Ca 0.23 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3hml h LEU 250 Cb 0.99 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3hml h LEU 250 CO 1.41 0.79 -0.54 -0.37 0.09 0.00 0.00 178.44 179.83 3hml h VAL 251 N 1.11 1.00 0.00 1.22 -1.51 -2.07 -3.33 116.25 112.67 3hml h VAL 251 Ca 0.28 -2.16 -0.12 0.00 -1.23 0.00 0.00 66.70 63.46 3hml h VAL 251 Cb 0.03 2.32 -0.02 0.00 -2.13 0.00 0.00 31.29 31.49 3hml h VAL 251 CO -0.04 0.52 -1.50 0.18 -1.23 0.00 0.00 177.57 175.50 3hml n LEU 252 N -3.35 0.64 0.00 4.19 4.77 -0.99 -5.33 117.00 116.93 3hml n LEU 252 Ca 0.01 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3hml n LEU 252 Cb 0.69 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 3hml n LEU 252 CO 0.40 0.07 0.08 1.21 -1.33 0.00 0.00 177.39 177.83