#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hml n THR 4 N 0.00 1.41 -3.78 1.39 -2.24 -1.26 -4.88 114.28 104.92 3hml n THR 4 Ca 0.00 -0.39 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 3hml n THR 4 Cb 0.00 -1.77 -0.09 0.00 -2.10 0.00 0.00 70.33 66.37 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 -7.16 6.01 -0.41 3.42 1.01 -1.26 -4.85 116.67 113.43 3hml s ASP 5 Ca -0.35 0.15 -0.42 0.00 0.71 0.00 0.00 52.55 52.63 3hml s ASP 5 Cb 0.13 -2.06 -0.17 0.00 1.01 0.00 0.00 42.92 41.83 3hml s ASP 5 CO 0.47 0.14 1.88 0.41 0.21 0.00 0.00 175.17 178.28 3hml n THR 6 N 3.75 0.12 -1.57 -1.27 -1.04 -1.26 -4.85 114.28 108.17 3hml n THR 6 Ca -0.16 -0.06 -0.35 0.00 -2.04 0.00 0.00 64.05 61.44 3hml n THR 6 Cb 0.52 -0.89 0.08 0.00 -1.82 0.00 0.00 70.33 68.22 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 4.63 3.41 0.69 -4.42 1.02 -1.26 -4.95 118.68 117.80 3hml s LEU 7 Ca 1.08 2.42 -0.12 0.00 0.02 0.00 0.00 54.13 57.53 3hml s LEU 7 Cb -1.28 -4.60 0.01 0.00 0.02 0.00 0.00 46.19 40.35 3hml s LEU 7 CO 0.68 -2.13 1.08 -0.94 0.02 0.00 0.00 176.35 175.05 3hml s SER 8 N -1.83 5.19 0.19 2.29 1.04 -1.26 -4.79 113.70 114.52 3hml s SER 8 Ca 0.77 1.78 -0.14 0.00 0.48 0.00 0.00 55.95 58.84 3hml s SER 8 Cb -0.31 -2.52 0.20 0.00 0.10 0.00 0.00 66.02 63.49 3hml s SER 8 CO 0.43 -1.57 1.24 -2.65 0.98 0.00 0.00 173.24 171.66 3hml n PRO 9 N -2.89 -0.18 0.14 4.02 -0.02 -1.26 -0.71 135.00 134.10 3hml n PRO 9 Ca 0.09 1.23 0.01 0.00 -2.02 0.00 0.00 63.50 62.81 3hml n PRO 9 Cb 0.53 -1.83 0.08 0.00 -0.02 0.00 0.00 33.50 32.26 3hml n PRO 9 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3hml h GLN 10 N 0.00 0.00 -0.06 -0.52 1.08 -1.99 -1.64 115.11 111.98 3hml h GLN 10 Ca 0.28 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.32 3hml h GLN 10 Cb 0.48 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 3hml h GLN 10 CO -0.80 0.58 -0.70 0.00 -0.95 0.00 0.00 178.83 176.97 3hml h ALA 11 N 1.42 0.69 -0.29 3.87 0.00 -1.81 -3.03 119.26 120.11 3hml h ALA 11 Ca -0.01 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.20 3hml h ALA 11 Cb 1.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3hml h ALA 11 CO 0.08 0.77 -0.25 0.35 0.00 0.00 0.00 179.25 180.20 3hml h PHE 12 N 0.21 0.64 -0.26 0.00 3.57 -0.79 -2.36 116.94 117.94 3hml h PHE 12 Ca -0.02 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 3hml h PHE 12 Cb 1.25 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 3hml h PHE 12 CO 0.03 0.77 0.15 1.49 -2.23 0.00 0.00 178.31 178.52 3hml h GLU 13 N 0.50 0.36 0.00 1.11 4.81 -1.28 -1.29 114.58 118.79 3hml h GLU 13 Ca 0.07 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3hml h GLU 13 Cb 0.70 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3hml h GLU 13 CO 0.05 0.31 -0.41 0.93 -0.73 0.00 0.00 179.01 179.16 3hml h GLU 14 N 0.32 0.00 -0.76 1.92 4.39 -1.50 -0.67 114.58 118.29 3hml h GLU 14 Ca 0.09 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 3hml h GLU 14 Cb 0.04 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 3hml h GLU 14 CO -0.02 0.41 0.25 0.00 -1.16 0.00 0.00 179.01 178.49 3hml h ALA 15 N 1.59 1.01 -0.14 3.43 0.00 -1.15 0.15 119.26 124.15 3hml h ALA 15 Ca -0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 3hml h ALA 15 Cb 0.82 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3hml h ALA 15 CO 0.05 0.67 -0.57 -0.07 0.00 0.00 0.00 179.25 179.34 3hml h LEU 16 N 1.12 0.48 0.13 0.00 3.38 -0.64 -3.25 115.31 116.54 3hml h LEU 16 Ca 0.25 -0.26 -0.29 0.00 0.09 0.00 0.00 57.88 57.66 3hml h LEU 16 Cb 0.29 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hml h LEU 16 CO -0.01 0.94 -1.38 0.03 0.09 0.00 0.00 178.44 178.11 3hml h ARG 17 N 0.33 0.28 0.00 1.13 3.08 -0.94 -3.01 114.38 115.25 3hml h ARG 17 Ca 0.00 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3hml h ARG 17 Cb 1.09 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3hml h ARG 17 CO 0.10 1.19 0.36 0.00 -1.07 0.00 0.00 179.97 180.55 3hml n ALA 18 N -2.60 0.54 0.16 0.04 0.00 0.50 0.03 120.51 119.17 3hml n ALA 18 Ca -0.12 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.52 3hml n ALA 18 Cb 1.04 -0.68 0.08 0.00 0.00 0.00 0.00 19.45 19.89 3hml n ALA 18 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hml h LYS 19 N 0.00 0.00 0.00 0.00 1.79 -1.58 -3.15 116.57 113.62 3hml h LYS 19 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hml h LYS 19 Cb 0.73 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 3hml h LYS 19 CO 0.00 0.07 0.01 0.41 -1.08 0.00 0.00 179.45 178.86 3hml n GLY 20 N 1.16 -0.79 0.27 3.86 0.00 0.10 -0.74 105.19 109.05 3hml n GLY 20 Ca 0.01 0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.33 3hml n GLY 20 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hml h ASP 21 N 0.00 0.00 -0.65 1.61 5.19 -1.68 -2.02 116.42 118.86 3hml h ASP 21 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hml h ASP 21 Cb 0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.52 3hml h ASP 21 CO 0.00 0.11 0.00 0.49 -3.12 0.00 0.00 179.24 176.72 3hml n PHE 22 N -3.50 1.24 -1.71 4.55 3.72 0.08 -5.01 117.46 116.83 3hml n PHE 22 Ca -0.01 -0.57 -0.37 0.00 -0.05 0.00 0.00 57.45 56.44 3hml n PHE 22 Cb 0.25 -0.15 0.07 0.00 -0.94 0.00 0.00 39.48 38.71 3hml n PHE 22 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3hml n TYR 23 N 1.22 1.73 0.34 1.38 9.36 -0.76 -4.90 117.16 125.53 3hml n TYR 23 Ca 0.24 0.42 0.10 0.00 3.32 0.00 0.00 57.90 61.98 3hml n TYR 23 Cb 0.78 -2.25 0.43 0.00 -0.63 0.00 0.00 39.34 37.67 3hml n TYR 23 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 3hml n HIS 24 N -1.86 0.56 0.21 2.98 1.44 -1.26 -2.42 115.22 114.87 3hml n HIS 24 Ca 0.15 0.24 0.18 0.00 -2.01 0.00 0.00 57.72 56.28 3hml n HIS 24 Cb 0.48 -0.88 0.78 0.00 0.12 0.00 0.00 29.99 30.48 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 0.20 -0.00 0.61 3.07 -1.96 -0.69 117.51 118.74 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 0.24 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 37.45 3hml h ILE 25 CO 0.00 0.00 -0.26 1.41 -1.05 0.00 0.00 178.15 178.25 3hml n HIS 26 N -3.33 0.00 -2.17 0.16 8.25 -1.02 -4.32 115.22 112.79 3hml n HIS 26 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 3hml n HIS 26 Cb 0.50 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 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 -2.81 3.17 0.48 4.41 2.46 -0.27 -4.91 115.29 117.83 3hml s HIS 27 Ca 0.18 1.27 0.18 0.00 0.47 0.00 0.00 55.06 57.16 3hml s HIS 27 Cb 0.19 -3.65 1.19 0.00 -0.13 0.00 0.00 32.58 30.18 3hml s HIS 27 CO 0.58 -1.94 2.00 -1.35 -2.47 0.00 0.00 174.74 171.57 3hml h PRO 28 N 4.65 0.22 -0.63 2.88 0.11 -1.89 -0.99 132.00 136.35 3hml h PRO 28 Ca -0.46 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3hml h PRO 28 Cb 1.22 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3hml h PRO 28 CO 0.73 0.14 0.33 -0.92 -0.21 0.00 0.00 178.00 178.07 3hml h TYR 29 N 0.22 0.88 -0.42 0.65 3.20 -1.92 0.10 116.97 119.68 3hml h TYR 29 Ca 0.25 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.96 3hml h TYR 29 Cb 0.68 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3hml h TYR 29 CO -0.00 0.65 -0.24 1.25 -1.64 0.00 0.00 178.16 178.18 3hml h HIS 30 N 0.86 0.99 -0.30 -3.82 2.76 -1.56 -2.31 115.15 111.78 3hml h HIS 30 Ca 0.22 -0.24 -0.09 0.00 -2.20 0.00 0.00 60.37 58.06 3hml h HIS 30 Cb 0.07 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3hml h HIS 30 CO -0.00 1.01 -0.17 0.82 -1.30 0.00 0.00 177.93 178.29 3hml h ILE 31 N 0.75 1.29 0.00 6.26 2.04 -1.13 -2.35 117.51 124.38 3hml h ILE 31 Ca 0.10 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.67 3hml h ILE 31 Cb 0.78 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 3hml h ILE 31 CO 0.06 0.41 0.00 0.00 0.00 0.00 0.00 178.15 178.63 3hml h ALA 32 N 0.75 1.00 0.06 1.87 0.00 -0.78 -2.33 119.26 119.83 3hml h ALA 32 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3hml h ALA 32 Cb 0.70 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hml h ALA 32 CO 0.05 0.00 -0.38 0.52 0.00 0.00 0.00 179.25 179.44 3hml h MET 33 N 0.00 0.14 -0.00 0.00 2.86 -1.31 0.23 114.93 116.84 3hml h MET 33 Ca 0.00 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 3hml h MET 33 Cb 0.50 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3hml h MET 33 CO 0.00 1.11 -0.06 1.58 1.06 0.00 0.00 176.91 180.60 3hml n HIS 34 N -4.39 0.00 -0.14 -0.22 -0.00 -0.89 -2.87 115.22 106.71 3hml n HIS 34 Ca -0.12 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.66 3hml n HIS 34 Cb 0.64 -0.18 0.15 0.00 -0.00 0.00 0.00 29.99 30.60 3hml n HIS 34 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 3hml n ASN 35 N -1.02 2.88 0.00 0.26 0.23 -0.89 -5.02 115.26 111.71 3hml n ASN 35 Ca 0.16 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.24 3hml n ASN 35 Cb 0.24 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 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 0.54 0.61 0.01 4.83 0.00 -1.14 -4.95 105.19 105.09 3hml n GLY 36 Ca 0.12 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 0.41 0.67 -4.77 1.61 5.03 -0.56 -4.95 115.26 112.70 3hml n ASN 37 Ca 0.00 -0.46 -0.40 0.00 0.87 0.00 0.00 54.58 54.59 3hml n ASN 37 Cb 0.00 0.55 -0.02 0.00 -1.02 0.00 0.00 39.78 39.29 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 -3.03 3.37 0.92 5.41 0.00 -0.04 -4.99 121.76 123.40 3hml s ALA 38 Ca 0.09 1.14 -0.14 0.00 0.00 0.00 0.00 51.96 53.04 3hml s ALA 38 Cb 0.17 -3.44 0.16 0.00 0.00 0.00 0.00 23.12 20.01 3hml s ALA 38 CO 0.77 -0.58 1.24 0.95 0.00 0.00 0.00 175.76 178.14 3hml s THR 39 N -1.22 1.97 0.17 0.00 -4.23 -1.26 -4.88 115.64 106.20 3hml s THR 39 Ca 0.51 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.89 3hml s THR 39 Cb -0.36 -2.94 0.07 0.00 1.34 0.00 0.00 72.50 70.61 3hml s THR 39 CO 0.47 0.00 1.82 -0.09 -0.54 0.00 0.00 174.62 176.28 3hml h ARG 40 N -1.49 0.75 -0.82 3.99 2.43 -2.00 -2.35 114.38 114.90 3hml h ARG 40 Ca -0.46 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 3hml h ARG 40 Cb 1.28 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 3hml h ARG 40 CO 0.50 0.53 0.45 1.49 -1.51 0.00 0.00 179.97 181.43 3hml h GLU 41 N 0.75 1.14 -0.43 0.20 4.81 -1.95 -1.74 114.58 117.36 3hml h GLU 41 Ca 0.20 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 3hml h GLU 41 Cb -0.04 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 3hml h GLU 41 CO -0.04 0.83 -0.16 1.96 -0.73 0.00 0.00 179.01 180.87 3hml h GLN 42 N 1.14 0.86 0.12 1.92 4.20 -1.80 0.60 115.11 122.15 3hml h GLN 42 Ca 0.29 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3hml h GLN 42 Cb 0.02 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3hml h GLN 42 CO -0.05 0.99 -0.06 0.82 -0.67 0.00 0.00 178.83 179.87 3hml h ILE 43 N 0.68 1.01 -0.59 2.54 1.08 -1.24 -0.93 117.51 120.05 3hml h ILE 43 Ca 0.10 -0.56 -0.09 0.00 -0.39 0.00 0.00 64.86 63.93 3hml h ILE 43 Cb 0.71 1.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 3hml h ILE 43 CO 0.05 0.13 0.02 1.56 -0.69 0.00 0.00 178.15 179.22 3hml h GLN 44 N -0.43 1.02 -0.81 2.37 4.20 -1.36 -0.73 115.11 119.37 3hml h GLN 44 Ca -0.02 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 3hml h GLN 44 Cb 0.35 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 3hml h GLN 44 CO 0.03 0.99 0.46 0.78 -0.67 0.00 0.00 178.83 180.42 3hml h GLY 45 N 1.00 1.20 0.83 3.46 0.00 -0.91 -0.71 103.07 107.94 3hml h GLY 45 Ca 0.17 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3hml h GLY 45 CO 0.03 0.51 -0.11 -0.25 0.00 0.00 0.00 176.54 176.71 3hml h TRP 46 N 1.12 -0.28 -0.41 5.60 7.01 -0.83 -2.34 115.95 125.82 3hml h TRP 46 Ca 0.29 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.36 3hml h TRP 46 Cb 0.00 0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.08 3hml h TRP 46 CO 0.00 -0.05 -0.07 0.28 -2.79 0.00 0.00 178.44 175.82 3hml h VAL 47 N -0.47 0.62 -0.71 2.65 2.07 -1.06 0.14 116.25 119.50 3hml h VAL 47 Ca -0.03 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 3hml h VAL 47 Cb 0.36 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3hml h VAL 47 CO 0.05 0.01 0.19 0.00 0.02 0.00 0.00 177.57 177.84 3hml h ALA 48 N 1.40 0.93 -0.02 1.67 0.00 -1.17 -0.04 119.26 122.02 3hml h ALA 48 Ca 0.20 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 3hml h ALA 48 Cb 0.30 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hml h ALA 48 CO -0.40 0.64 -0.69 -0.91 0.00 0.00 0.00 179.25 177.89 3hml h ASN 49 N 1.06 0.65 0.35 0.00 2.35 -1.24 -3.20 115.58 115.55 3hml h ASN 49 Ca 0.22 -0.73 -0.04 0.00 -0.55 0.00 0.00 56.30 55.20 3hml h ASN 49 Cb 0.34 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3hml h ASN 49 CO -0.00 1.29 -0.21 -0.09 -1.65 0.00 0.00 177.43 176.77 3hml h ARG 50 N 0.07 0.00 -0.82 0.81 9.65 -0.71 -2.08 114.38 121.30 3hml h ARG 50 Ca -0.08 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.84 3hml h ARG 50 Cb 1.38 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.91 3hml h ARG 50 CO 0.14 0.21 0.54 0.35 2.80 0.00 0.00 179.97 184.00 3hml h PHE 51 N 0.00 0.97 -0.28 2.20 3.57 -1.00 -1.39 116.94 121.01 3hml h PHE 51 Ca -0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3hml h PHE 51 Cb 0.44 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3hml h PHE 51 CO 0.00 0.55 0.12 -0.92 -2.23 0.00 0.00 178.31 175.83 3hml h TYR 52 N 0.99 0.22 0.05 0.41 3.20 -1.37 -0.58 116.97 119.90 3hml h TYR 52 Ca 0.33 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.24 3hml h TYR 52 Cb 0.08 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 3hml h TYR 52 CO -0.00 0.12 -0.23 -0.92 -1.64 0.00 0.00 178.16 175.49 3hml h TYR 53 N 0.27 -0.61 -1.00 -3.82 3.20 -1.47 -2.80 116.97 110.74 3hml h TYR 53 Ca 0.12 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.12 3hml h TYR 53 Cb 0.06 0.26 -0.08 0.00 1.54 0.00 0.00 36.73 38.51 3hml h TYR 53 CO -0.11 -0.32 0.63 1.96 -1.64 0.00 0.00 178.16 178.68 3hml h GLN 54 N -0.39 0.98 0.00 1.82 1.08 -0.99 -2.11 115.11 115.50 3hml h GLN 54 Ca 0.05 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3hml h GLN 54 Cb 0.44 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3hml h GLN 54 CO -0.18 0.65 0.00 0.25 -0.95 0.00 0.00 178.83 178.60 3hml n THR 55 N -4.59 0.41 -0.02 -0.54 -2.24 -0.25 -3.59 114.28 103.47 3hml n THR 55 Ca 0.18 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.91 3hml n THR 55 Cb 0.33 -0.68 -0.13 0.00 -2.10 0.00 0.00 70.33 67.75 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 -1.75 1.38 -0.22 4.28 -1.04 -0.81 -4.41 114.28 111.71 3hml n THR 56 Ca 0.06 -0.77 -0.02 0.00 -2.04 0.00 0.00 64.05 61.27 3hml n THR 56 Cb 0.32 -0.79 0.08 0.00 -1.82 0.00 0.00 70.33 68.13 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 0.00 0.97 0.00 12.58 2.04 -1.57 0.19 117.51 131.72 3hml h ILE 57 Ca -0.30 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 3hml h ILE 57 Cb 1.90 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3hml h ILE 57 CO 0.06 0.12 -0.08 1.55 0.00 0.00 0.00 178.15 179.79 3hml h PRO 58 N 0.65 0.00 -0.20 2.37 0.13 -1.77 0.33 132.00 133.51 3hml h PRO 58 Ca 0.28 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.25 3hml h PRO 58 Cb 0.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.30 3hml h PRO 58 CO -0.17 0.08 -0.51 -0.07 -0.23 0.00 0.00 178.00 177.10 3hml h LEU 59 N 0.00 0.79 -1.28 1.56 3.38 -1.42 -1.64 115.31 116.70 3hml h LEU 59 Ca -0.00 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 3hml h LEU 59 Cb 0.15 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3hml h LEU 59 CO 0.01 1.22 0.33 0.50 0.09 0.00 0.00 178.44 180.59 3hml h LYS 60 N 0.40 0.82 0.08 1.13 3.11 -0.46 0.14 116.57 121.79 3hml h LYS 60 Ca -0.01 -0.08 -0.27 0.00 -2.81 0.00 0.00 60.65 57.48 3hml h LYS 60 Cb 1.12 -0.17 0.02 0.00 -1.00 0.00 0.00 32.23 32.20 3hml h LYS 60 CO 0.11 0.60 -1.15 -0.44 -2.81 0.00 0.00 179.45 175.76 3hml h ASP 61 N 0.83 0.70 -0.50 4.20 3.32 -0.89 -2.50 116.42 121.58 3hml h ASP 61 Ca 0.21 -0.63 -0.09 0.00 0.02 0.00 0.00 57.03 56.53 3hml h ASP 61 Cb 0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3hml h ASP 61 CO -0.04 1.45 -0.04 0.00 -1.72 0.00 0.00 179.24 178.90 3hml h ALA 62 N 0.48 0.91 -1.01 3.45 0.00 -1.09 -2.31 119.26 119.69 3hml h ALA 62 Ca -0.15 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.51 3hml h ALA 62 Cb 1.82 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 3hml h ALA 62 CO 0.21 0.64 0.65 0.00 0.00 0.00 0.00 179.25 180.75 3hml h ALA 63 N 1.08 1.38 -0.63 0.00 0.00 -0.65 -1.49 119.26 118.94 3hml h ALA 63 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hml h ALA 63 Cb 0.56 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3hml h ALA 63 CO 0.03 0.48 0.33 0.82 0.00 0.00 0.00 179.25 180.91 3hml h ILE 64 N 1.21 1.21 -0.25 0.00 2.04 -1.34 -3.07 117.51 117.31 3hml h ILE 64 Ca 0.42 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 3hml h ILE 64 Cb 0.11 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3hml h ILE 64 CO -0.16 0.24 -0.23 0.24 0.00 0.00 0.00 178.15 178.23 3hml h MET 65 N 0.87 0.47 0.00 2.37 2.86 -1.12 -2.49 114.93 117.89 3hml h MET 65 Ca 0.22 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3hml h MET 65 Cb 0.08 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3hml h MET 65 CO -0.03 0.68 0.00 0.00 1.06 0.00 0.00 176.91 178.61 3hml h ALA 66 N 1.33 1.00 -0.27 6.32 0.00 -1.19 -2.91 119.26 123.55 3hml h ALA 66 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hml h ALA 66 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hml h ALA 66 CO 0.05 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.39 3hml n ASN 67 N -3.04 2.78 -4.02 0.00 3.02 -0.95 -4.92 115.26 108.12 3hml n ASN 67 Ca -0.02 -1.83 -0.32 0.00 -0.03 0.00 0.00 54.58 52.38 3hml n ASN 67 Cb 0.10 -0.18 -0.14 0.00 -0.61 0.00 0.00 39.78 38.95 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 4.12 0.59 -3.11 0.00 -0.02 -1.26 -4.68 135.00 130.64 3hml n PRO 69 Ca 0.04 0.01 -0.44 0.00 -2.02 0.00 0.00 63.50 61.08 3hml n PRO 69 Cb 0.41 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.34 3hml n PRO 69 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hml s ASP 70 N -2.06 6.20 0.21 2.55 2.15 -1.26 -4.96 116.67 119.50 3hml s ASP 70 Ca 0.29 -1.24 -0.13 0.00 0.43 0.00 0.00 52.55 51.90 3hml s ASP 70 Cb 0.14 -2.31 0.25 0.00 -0.30 0.00 0.00 42.92 40.70 3hml s ASP 70 CO 0.24 -1.07 1.64 0.00 -0.17 0.00 0.00 175.17 175.80 3hml h ALA 71 N 9.15 0.47 -0.25 3.66 0.00 -2.00 -1.95 119.26 128.35 3hml h ALA 71 Ca -0.29 0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3hml h ALA 71 Cb 1.09 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 3hml h ALA 71 CO 1.07 -0.42 -0.12 0.37 0.00 0.00 0.00 179.25 180.15 3hml h GLN 72 N 0.03 -0.08 -0.61 0.00 4.15 -1.98 -0.50 115.11 116.12 3hml h GLN 72 Ca 0.31 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.69 3hml h GLN 72 Cb 0.48 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 3hml h GLN 72 CO -0.61 -0.05 0.20 1.15 -1.93 0.00 0.00 178.83 177.58 3hml h THR 73 N -0.09 1.23 -0.43 2.39 2.02 -1.88 -2.81 112.91 113.34 3hml h THR 73 Ca 0.13 -0.77 -0.11 0.00 0.77 0.00 0.00 66.41 66.43 3hml h THR 73 Cb 0.29 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3hml h THR 73 CO -0.31 0.30 -0.16 0.03 0.37 0.00 0.00 175.52 175.75 3hml h ARG 74 N 0.89 0.82 -0.47 6.66 3.08 -0.62 0.21 114.38 124.94 3hml h ARG 74 Ca 0.20 -0.30 0.05 0.00 0.07 0.00 0.00 59.98 60.00 3hml h ARG 74 Cb 0.24 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3hml h ARG 74 CO -0.01 0.93 0.32 0.00 -1.07 0.00 0.00 179.97 180.13 3hml h ARG 75 N 0.73 0.41 0.07 0.04 3.08 -0.85 -0.25 114.38 117.61 3hml h ARG 75 Ca 0.11 -0.02 -0.34 0.00 0.07 0.00 0.00 59.98 59.79 3hml h ARG 75 Cb 0.67 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3hml h ARG 75 CO 0.05 0.27 -1.95 1.17 -1.07 0.00 0.00 179.97 178.44 3hml n LYS 76 N -4.48 0.71 0.08 0.04 4.81 -1.10 -4.22 118.16 114.00 3hml n LYS 76 Ca 0.06 0.25 -0.06 0.00 -0.87 0.00 0.00 58.31 57.70 3hml n LYS 76 Cb 0.23 -1.72 0.11 0.00 0.02 0.00 0.00 35.03 33.67 3hml n LYS 76 CO 0.00 0.00 0.00 2.35 1.17 0.00 0.00 177.40 180.92 3hml h TRP 77 N 0.04 0.34 0.00 5.64 2.91 -0.77 -3.17 115.95 120.94 3hml h TRP 77 Ca -0.39 -0.13 -0.03 0.00 1.13 0.00 0.00 58.89 59.47 3hml h TRP 77 Cb 2.03 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 30.61 3hml h TRP 77 CO 0.05 0.80 -0.13 -0.24 -1.03 0.00 0.00 178.44 177.89 3hml h VAL 78 N 0.20 0.64 -0.56 2.65 3.04 -1.22 -2.06 116.25 118.95 3hml h VAL 78 Ca -0.01 -0.54 0.10 0.00 -1.01 0.00 0.00 66.70 65.24 3hml h VAL 78 Cb 1.11 1.34 -0.03 0.00 -2.01 0.00 0.00 31.29 31.70 3hml h VAL 78 CO 0.10 0.13 0.38 -0.61 -1.01 0.00 0.00 177.57 176.55 3hml h GLN 79 N 0.00 0.32 -0.81 4.17 5.75 -1.72 -0.97 115.11 121.85 3hml h GLN 79 Ca -0.00 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3hml h GLN 79 Cb 0.33 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 3hml h GLN 79 CO 0.02 0.21 0.49 0.00 -2.65 0.00 0.00 178.83 176.91 3hml h ARG 80 N 0.33 1.09 -0.04 1.69 3.08 -1.54 -1.13 114.38 117.86 3hml h ARG 80 Ca 0.26 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 3hml h ARG 80 Cb 0.58 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3hml h ARG 80 CO -0.06 0.76 -0.13 0.82 -1.07 0.00 0.00 179.97 180.28 3hml h ILE 81 N 1.11 1.46 -0.91 2.04 2.04 -1.40 -2.71 117.51 119.14 3hml h ILE 81 Ca 0.29 -1.56 0.21 0.00 1.00 0.00 0.00 64.86 64.80 3hml h ILE 81 Cb -0.06 2.39 -0.12 0.00 -0.74 0.00 0.00 36.82 38.30 3hml h ILE 81 CO -0.06 0.43 0.44 -0.07 0.00 0.00 0.00 178.15 178.89 3hml h LEU 82 N -0.40 0.44 -0.43 1.44 3.38 -1.18 0.08 115.31 118.64 3hml h LEU 82 Ca -0.01 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hml h LEU 82 Cb 0.76 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3hml h LEU 82 CO 0.03 0.07 0.23 0.44 0.09 0.00 0.00 178.44 179.29 3hml h ASP 83 N 0.49 0.55 0.23 -0.43 3.32 -1.20 -1.35 116.42 118.02 3hml h ASP 83 Ca 0.56 -0.10 -0.30 0.00 0.02 0.00 0.00 57.03 57.20 3hml h ASP 83 Cb 1.00 -0.14 0.03 0.00 0.22 0.00 0.00 39.33 40.44 3hml h ASP 83 CO -0.48 0.50 -1.35 0.45 -1.72 0.00 0.00 179.24 176.64 3hml h HIS 84 N 0.56 0.87 0.00 4.55 3.86 -1.04 0.12 115.15 124.06 3hml h HIS 84 Ca 0.15 -0.63 -0.08 0.00 -1.16 0.00 0.00 60.37 58.65 3hml h HIS 84 Cb 0.08 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3hml h HIS 84 CO -0.02 1.52 -0.59 -0.44 0.86 0.00 0.00 177.93 179.26 3hml h ASP 85 N 0.02 0.00 -3.85 2.45 3.32 -1.09 -1.81 116.42 115.45 3hml h ASP 85 Ca -0.24 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.95 3hml h ASP 85 Cb 2.04 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 41.52 3hml h ASP 85 CO 0.24 0.33 -0.47 0.61 -1.72 0.00 0.00 179.24 178.22 3hml n GLY 86 N 1.22 -2.83 0.62 2.75 0.00 -0.51 -4.57 105.19 101.86 3hml n GLY 86 Ca 0.00 -1.30 0.01 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.94 0.18 0.00 1.61 3.41 -1.25 -4.86 113.62 109.77 3hml n SER 87 Ca -0.03 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 3hml n SER 87 Cb 0.26 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3hml n SER 87 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hml n ASP 91 N 0.03 0.00 0.00 4.04 5.68 -1.26 -5.18 116.55 119.85 3hml n ASP 91 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 3hml n ASP 91 Cb 0.75 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 3hml n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hml n GLY 92 N -0.53 -2.05 0.29 6.12 0.00 -1.26 -4.45 105.19 103.29 3hml n GLY 92 Ca 0.00 -1.32 0.02 0.00 0.00 0.00 0.00 46.02 44.73 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 0.51 2.00 -0.02 0.00 -0.26 -1.97 103.07 103.32 3hml h GLY 93 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3hml h GLY 93 CO 0.00 0.23 0.00 -2.22 0.00 0.00 0.00 176.54 174.55 3hml h ILE 94 N 0.47 0.00 0.05 2.60 2.04 -1.61 -2.09 117.51 118.97 3hml h ILE 94 Ca 0.12 -0.24 -0.23 0.00 1.00 0.00 0.00 64.86 65.50 3hml h ILE 94 Cb 0.13 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3hml h ILE 94 CO -0.01 0.00 -1.07 -0.08 0.00 0.00 0.00 178.15 176.99 3hml h GLU 95 N 0.00 0.14 -0.84 2.37 4.57 -1.57 -2.77 114.58 116.47 3hml h GLU 95 Ca 0.00 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 3hml h GLU 95 Cb 0.26 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 3hml h GLU 95 CO 0.00 1.08 0.47 0.00 -1.18 0.00 0.00 179.01 179.37 3hml h ALA 96 N 0.83 1.08 -0.60 2.92 0.00 -1.42 -2.55 119.26 119.52 3hml h ALA 96 Ca -0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3hml h ALA 96 Cb 1.80 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 3hml h ALA 96 CO 0.16 0.58 0.12 -1.49 0.00 0.00 0.00 179.25 178.62 3hml h TRP 97 N 1.17 1.01 -0.61 0.00 4.06 -1.46 -2.36 115.95 117.76 3hml h TRP 97 Ca 0.30 -0.12 -0.07 0.00 2.06 0.00 0.00 58.89 61.06 3hml h TRP 97 Cb 0.02 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 27.87 3hml h TRP 97 CO 0.00 0.85 0.10 -0.07 -3.56 0.00 0.00 178.44 175.76 3hml h LEU 98 N 0.91 0.97 -0.80 -4.49 3.38 -1.42 -1.21 115.31 112.65 3hml h LEU 98 Ca 0.19 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3hml h LEU 98 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hml h LEU 98 CO 0.01 0.98 -0.38 0.03 0.09 0.00 0.00 178.44 179.17 3hml h ARG 99 N 0.91 0.45 -0.78 1.13 2.47 -1.41 -2.15 114.38 115.01 3hml h ARG 99 Ca 0.19 -0.21 -0.05 0.00 -1.26 0.00 0.00 59.98 58.64 3hml h ARG 99 Cb 0.42 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 3hml h ARG 99 CO 0.01 0.76 0.28 1.25 0.56 0.00 0.00 179.97 182.83 3hml h LEU 100 N 0.38 1.10 -0.60 3.04 5.85 -1.24 0.41 115.31 124.25 3hml h LEU 100 Ca 0.04 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.64 3hml h LEU 100 Cb 0.83 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 3hml h LEU 100 CO 0.07 0.99 0.29 1.23 -0.34 0.00 0.00 178.44 180.68 3hml h GLY 101 N 1.15 0.87 1.47 3.75 0.00 -1.06 -1.06 103.07 108.19 3hml h GLY 101 Ca 0.25 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.26 3hml h GLY 101 CO -0.02 0.08 -0.38 0.83 0.00 0.00 0.00 176.54 177.05 3hml h GLU 102 N 0.54 0.58 -0.35 4.80 5.08 -1.13 0.15 114.58 124.27 3hml h GLU 102 Ca 0.28 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3hml h GLU 102 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3hml h GLU 102 CO -0.22 0.87 0.23 0.00 -1.00 0.00 0.00 179.01 178.90 3hml h ALA 103 N 1.09 1.91 -0.58 3.43 0.00 -0.59 -2.48 119.26 122.05 3hml h ALA 103 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hml h ALA 103 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3hml h ALA 103 CO 0.08 0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.70 3hml n VAL 104 N -4.49 0.82 -0.35 0.00 0.24 -0.43 -0.72 118.33 113.40 3hml n VAL 104 Ca 0.03 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 3hml n VAL 104 Cb 0.17 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 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 1.49 0.81 3.96 7.63 0.00 -0.93 -4.82 105.19 113.33 3hml n GLY 105 Ca 0.21 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 3.81 0.48 0.99 1.43 0.50 -4.99 118.68 120.91 3hml s LEU 106 Ca 0.00 0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.37 3hml s LEU 106 Cb 0.00 -3.08 0.01 0.00 0.03 0.00 0.00 46.19 43.15 3hml s LEU 106 CO 0.00 -0.54 0.41 -0.94 0.23 0.00 0.00 176.35 175.51 3hml s SER 107 N -4.17 4.84 0.18 2.29 1.04 -1.26 -3.11 113.70 113.51 3hml s SER 107 Ca 0.45 -0.98 -0.13 0.00 0.48 0.00 0.00 55.95 55.78 3hml s SER 107 Cb -0.10 -0.09 0.09 0.00 0.10 0.00 0.00 66.02 66.02 3hml s SER 107 CO 0.36 -0.89 1.82 0.03 0.98 0.00 0.00 173.24 175.54 3hml h ARG 108 N 0.86 0.80 0.00 4.02 3.08 -1.94 -2.85 114.38 118.35 3hml h ARG 108 Ca -0.39 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.56 3hml h ARG 108 Cb 1.28 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 3hml h ARG 108 CO 0.57 0.57 -0.20 0.22 -1.07 0.00 0.00 179.97 180.06 3hml h ASP 109 N 0.80 0.00 -0.18 7.04 1.82 -1.97 0.20 116.42 124.13 3hml h ASP 109 Ca 0.21 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.83 3hml h ASP 109 Cb -0.03 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 3hml h ASP 109 CO -0.04 0.20 0.02 0.44 -1.61 0.00 0.00 179.24 178.24 3hml h ASP 110 N 0.00 0.29 0.12 2.28 3.32 -1.91 -1.56 116.42 118.96 3hml h ASP 110 Ca -0.00 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3hml h ASP 110 Cb 0.65 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3hml h ASP 110 CO 0.03 0.49 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.91 3hml h LEU 111 N 0.07 -0.14 -1.87 1.55 4.07 -1.29 -3.22 115.31 114.48 3hml h LEU 111 Ca 0.05 -0.36 0.01 0.00 0.08 0.00 0.00 57.88 57.65 3hml h LEU 111 Cb 0.33 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 3hml h LEU 111 CO 0.01 0.32 0.10 -0.07 -1.08 0.00 0.00 178.44 177.71 3hml h LEU 112 N -0.64 0.15 -0.69 1.67 3.38 -0.69 -2.41 115.31 116.07 3hml h LEU 112 Ca -0.02 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3hml h LEU 112 Cb 0.49 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3hml h LEU 112 CO 0.03 0.11 -0.64 0.77 0.09 0.00 0.00 178.44 178.79 3hml h SER 113 N 0.18 0.05 -0.50 -0.43 4.64 -1.35 -3.47 113.55 112.65 3hml h SER 113 Ca 0.05 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.13 3hml h SER 113 Cb 0.00 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 61.99 3hml h SER 113 CO -0.01 0.68 -0.20 -0.62 -0.87 0.00 0.00 176.83 175.81 3hml n GLU 114 N -3.79 -0.81 0.14 4.77 -0.58 -0.91 -4.93 120.64 114.54 3hml n GLU 114 Ca -0.01 0.86 -0.00 0.00 -0.42 0.00 0.00 57.16 57.58 3hml n GLU 114 Cb 0.64 -4.83 0.25 0.00 -0.57 0.00 0.00 31.44 26.93 3hml n GLU 114 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hml h ARG 115 N 0.03 0.07 0.00 3.49 3.08 -1.86 -2.94 114.38 116.25 3hml h ARG 115 Ca -0.22 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3hml h ARG 115 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3hml h ARG 115 CO 0.32 0.53 -0.12 0.72 -1.07 0.00 0.00 179.97 180.35 3hml n HIS 116 N -3.97 0.10 -1.88 3.04 8.25 -1.26 -4.84 115.22 114.65 3hml n HIS 116 Ca -0.02 0.03 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 3hml n HIS 116 Cb 0.50 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 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 -3.01 3.37 0.45 1.59 1.01 -1.11 -4.81 120.40 117.88 3hml s VAL 117 Ca 0.13 0.44 -0.24 0.00 0.00 0.00 0.00 61.98 62.31 3hml s VAL 117 Cb 0.18 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.19 3hml s VAL 117 CO 0.58 -0.05 1.20 -0.76 0.00 0.00 0.00 175.10 176.07 3hml s LEU 118 N 4.41 4.07 0.30 3.92 1.43 -1.26 -4.90 118.68 126.64 3hml s LEU 118 Ca 0.80 2.40 0.02 0.00 -1.03 0.00 0.00 54.13 56.31 3hml s LEU 118 Cb -0.36 -4.15 0.56 0.00 0.03 0.00 0.00 46.19 42.28 3hml s LEU 118 CO 0.34 -0.91 1.87 -0.65 0.23 0.00 0.00 176.35 177.23 3hml h PRO 119 N 2.22 0.96 -0.44 1.29 0.11 -1.94 -1.73 132.00 132.48 3hml h PRO 119 Ca -0.49 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.46 3hml h PRO 119 Cb 1.25 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3hml h PRO 119 CO 0.61 0.64 -0.13 0.78 -0.21 0.00 0.00 178.00 179.68 3hml h GLY 120 N 0.99 0.87 0.91 -0.55 0.00 -1.95 -0.04 103.07 103.29 3hml h GLY 120 Ca 0.45 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3hml h GLY 120 CO -0.21 0.62 0.10 -2.08 0.00 0.00 0.00 176.54 174.97 3hml h VAL 121 N 0.72 1.17 -0.67 4.60 2.07 -1.77 -2.83 116.25 119.54 3hml h VAL 121 Ca 0.12 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3hml h VAL 121 Cb 0.63 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3hml h VAL 121 CO 0.04 0.17 0.36 -0.09 0.02 0.00 0.00 177.57 178.07 3hml h ARG 122 N 0.24 0.93 -0.67 1.57 2.43 -0.98 0.36 114.38 118.26 3hml h ARG 122 Ca 0.08 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3hml h ARG 122 Cb 0.17 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3hml h ARG 122 CO -0.01 0.71 0.20 0.74 -1.51 0.00 0.00 179.97 180.10 3hml h PHE 123 N 0.91 1.10 -0.07 2.20 0.04 -1.08 0.37 116.94 120.42 3hml h PHE 123 Ca 0.23 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 3hml h PHE 123 Cb 0.05 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 37.88 3hml h PHE 123 CO -0.00 0.89 -0.03 0.00 -0.60 0.00 0.00 178.31 178.56 3hml h ALA 124 N 1.08 0.09 -0.59 2.45 0.00 -1.24 -1.23 119.26 119.82 3hml h ALA 124 Ca 0.22 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3hml h ALA 124 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hml h ALA 124 CO -0.00 -0.15 0.08 0.28 0.00 0.00 0.00 179.25 179.46 3hml h VAL 125 N -0.24 1.26 0.00 0.00 2.07 -0.84 -2.90 116.25 115.60 3hml h VAL 125 Ca 0.01 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 3hml h VAL 125 Cb 0.48 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3hml h VAL 125 CO 0.01 0.37 -0.34 0.44 0.02 0.00 0.00 177.57 178.07 3hml h ASP 126 N 0.89 0.00 -0.57 0.57 3.32 -0.23 -2.60 116.42 117.81 3hml h ASP 126 Ca 0.18 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.31 3hml h ASP 126 Cb 0.44 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.92 3hml h ASP 126 CO 0.01 0.34 0.20 0.00 -1.72 0.00 0.00 179.24 178.08 3hml h ALA 127 N 1.66 0.71 0.21 3.45 0.00 -1.01 -0.87 119.26 123.41 3hml h ALA 127 Ca -0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hml h ALA 127 Cb 0.60 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3hml h ALA 127 CO 0.04 -0.21 -0.17 -0.92 0.00 0.00 0.00 179.25 178.00 3hml h TYR 128 N 0.38 -0.43 -0.28 0.00 3.20 -1.41 -0.86 116.97 117.57 3hml h TYR 128 Ca 0.28 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.21 3hml h TYR 128 Cb 0.33 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.71 3hml h TYR 128 CO -0.17 -0.25 -0.11 1.25 -1.64 0.00 0.00 178.16 177.24 3hml h LEU 129 N -0.39 -0.37 -0.73 2.82 5.85 -1.35 -0.87 115.31 120.29 3hml h LEU 129 Ca -0.01 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3hml h LEU 129 Cb 0.35 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3hml h LEU 129 CO -0.01 -0.14 0.42 0.78 -0.34 0.00 0.00 178.44 179.15 3hml h ASN 130 N -0.05 0.89 -0.06 1.25 2.35 -1.13 -0.97 115.58 117.86 3hml h ASN 130 Ca 0.14 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3hml h ASN 130 Cb 0.27 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3hml h ASN 130 CO -0.32 0.71 -0.02 0.15 -1.65 0.00 0.00 177.43 176.29 3hml h PHE 131 N 1.00 -0.05 -0.99 1.19 3.57 -0.85 -2.42 116.94 118.39 3hml h PHE 131 Ca 0.26 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.93 3hml h PHE 131 Cb -0.00 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 38.67 3hml h PHE 131 CO -0.01 -0.04 0.62 0.00 -2.23 0.00 0.00 178.31 176.65 3hml h ALA 132 N 1.04 1.65 -0.42 2.41 0.00 -0.79 0.38 119.26 123.53 3hml h ALA 132 Ca 0.03 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3hml h ALA 132 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3hml h ALA 132 CO -0.07 0.03 -0.10 0.00 0.00 0.00 0.00 179.25 179.12 3hml h ARG 133 N 0.83 0.75 0.00 0.00 3.08 -0.98 -3.35 114.38 114.71 3hml h ARG 133 Ca 0.53 -0.24 -0.28 0.00 0.07 0.00 0.00 59.98 60.06 3hml h ARG 133 Cb 0.74 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 3hml h ARG 133 CO -0.31 0.82 -2.06 0.54 -1.07 0.00 0.00 179.97 177.89 3hml n ARG 134 N -4.17 1.37 -1.52 0.04 1.74 -0.86 -4.99 116.66 108.26 3hml n ARG 134 Ca 0.01 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.79 3hml n ARG 134 Cb 0.35 -1.39 0.06 0.00 -1.02 0.00 0.00 32.46 30.46 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 -2.37 2.60 0.61 7.54 0.00 0.13 -5.01 121.76 125.25 3hml s ALA 135 Ca -0.10 0.09 -0.17 0.00 0.00 0.00 0.00 51.96 51.78 3hml s ALA 135 Cb 0.05 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 3hml s ALA 135 CO 0.60 -1.33 1.13 0.00 0.00 0.00 0.00 175.76 176.17 3hml h TRP 137 N 0.60 0.87 -0.57 0.00 5.08 -1.87 -2.05 115.95 118.01 3hml h TRP 137 Ca -0.49 0.02 0.04 0.00 1.08 0.00 0.00 58.89 59.55 3hml h TRP 137 Cb 1.26 -0.29 -0.05 0.00 -3.00 0.00 0.00 29.16 27.09 3hml h TRP 137 CO 0.52 0.48 0.31 1.96 -1.28 0.00 0.00 178.44 180.43 3hml h GLN 138 N 0.88 0.58 -0.32 0.12 7.50 -1.93 0.11 115.11 122.05 3hml h GLN 138 Ca 0.32 -0.03 -0.16 0.00 0.50 0.00 0.00 58.65 59.27 3hml h GLN 138 Cb 0.15 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.54 3hml h GLN 138 CO -0.10 0.38 -0.45 0.93 -1.50 0.00 0.00 178.83 178.09 3hml h GLU 139 N 0.60 0.83 -0.13 1.46 5.08 -1.77 -1.94 114.58 118.71 3hml h GLU 139 Ca 0.25 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 3hml h GLU 139 Cb 0.12 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3hml h GLU 139 CO -0.15 1.10 -0.08 0.00 -1.00 0.00 0.00 179.01 178.88 3hml h ALA 140 N 0.82 0.18 -0.49 3.43 0.00 -1.21 -2.93 119.26 119.07 3hml h ALA 140 Ca 0.04 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.76 3hml h ALA 140 Cb 1.03 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3hml h ALA 140 CO 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 179.25 179.40 3hml h ALA 141 N 0.64 0.53 0.00 0.00 0.00 -0.84 -2.09 119.26 117.50 3hml h ALA 141 Ca 0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hml h ALA 141 Cb 0.56 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hml h ALA 141 CO 0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 179.25 178.89 3hml h SER 143 N 0.00 0.00 0.68 0.00 4.64 -1.17 -2.72 113.55 114.97 3hml h SER 143 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hml h SER 143 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3hml h SER 143 CO 0.01 0.01 0.00 0.77 -0.87 0.00 0.00 176.83 176.75 3hml h SER 144 N 0.00 0.00 0.00 4.97 4.64 -1.60 -3.30 113.55 118.26 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 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3hml h SER 144 CO 0.00 0.00 0.31 0.25 -0.87 0.00 0.00 176.83 176.52 3hml h LEU 145 N 0.00 0.00 -1.55 5.97 5.85 -1.68 -2.55 115.31 121.35 3hml h LEU 145 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hml h LEU 145 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3hml h LEU 145 CO 0.00 0.00 0.03 0.71 -0.34 0.00 0.00 178.44 178.84 3hml h THR 146 N 0.00 0.00 0.00 1.05 1.35 -1.83 -2.41 112.91 111.07 3hml h THR 146 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3hml h THR 146 Cb 0.61 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3hml h THR 146 CO 0.00 0.00 0.00 -1.84 -0.25 0.00 0.00 175.52 173.43 3hml n GLU 147 N -2.33 0.48 -0.31 4.72 0.28 -0.96 -2.16 120.64 120.36 3hml n GLU 147 Ca -0.02 0.04 0.01 0.00 -0.16 0.00 0.00 57.16 57.04 3hml n GLU 147 Cb 0.06 -1.50 0.20 0.00 1.43 0.00 0.00 31.44 31.63 3hml n GLU 147 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3hml h LEU 148 N 0.00 0.98 -0.57 -1.84 3.38 -1.71 -3.04 115.31 112.51 3hml h LEU 148 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hml h LEU 148 Cb 0.14 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3hml h LEU 148 CO 0.00 0.67 -0.03 0.49 0.09 0.00 0.00 178.44 179.66 3hml n PHE 149 N -4.45 0.00 0.09 1.13 3.72 -0.92 -4.48 117.46 112.55 3hml n PHE 149 Ca 0.12 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.48 3hml n PHE 149 Cb 0.11 -0.04 -0.04 0.00 -0.94 0.00 0.00 39.48 38.57 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 4.11 0.51 -2.62 4.37 0.00 -1.66 -3.51 119.26 120.47 3hml h ALA 150 Ca 0.00 -0.79 -0.54 0.00 0.00 0.00 0.00 54.91 53.59 3hml h ALA 150 Cb 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3hml h ALA 150 CO 0.00 1.08 0.24 -1.25 0.00 0.00 0.00 179.25 179.32 3hml s PRO 151 N -2.92 4.57 0.00 0.00 0.04 -1.26 -5.14 135.00 130.28 3hml s PRO 151 Ca 0.01 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.26 3hml s PRO 151 Cb 0.10 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.27 3hml s PRO 151 CO 0.80 0.23 0.00 0.45 0.04 0.00 0.00 177.00 178.52 3hml n SER 160 N 2.90 0.00 0.20 6.66 2.88 -1.26 -5.26 113.62 119.74 3hml n SER 160 Ca -0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.62 3hml n SER 160 Cb 0.50 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.29 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 0.00 0.23 0.66 4.06 -1.96 -3.28 115.95 115.67 3hml h TRP 161 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 3hml h TRP 161 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 3hml h TRP 161 CO 0.00 0.25 -0.39 -1.00 -3.56 0.00 0.00 178.44 173.74 3hml h PRO 162 N 0.00 -0.64 -0.49 0.49 0.13 -1.96 0.41 132.00 129.95 3hml h PRO 162 Ca -0.00 0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.23 3hml h PRO 162 Cb 0.92 0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 3hml h PRO 162 CO 0.03 -0.42 0.20 0.37 -0.23 0.00 0.00 178.00 177.95 3hml h GLN 163 N -0.66 0.38 -0.14 0.86 4.15 -2.00 -2.85 115.11 114.84 3hml h GLN 163 Ca -0.03 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 3hml h GLN 163 Cb 0.62 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 3hml h GLN 163 CO -0.14 0.25 0.03 0.45 -1.93 0.00 0.00 178.83 177.50 3hml h HIS 164 N 0.39 0.24 -2.74 3.99 3.86 -1.59 -3.39 115.15 115.92 3hml h HIS 164 Ca 0.23 -0.03 -0.60 0.00 -1.16 0.00 0.00 60.37 58.80 3hml h HIS 164 Cb 0.20 -0.07 -0.40 0.00 1.06 0.00 0.00 27.41 28.21 3hml h HIS 164 CO -0.14 0.39 -0.79 0.71 0.86 0.00 0.00 177.93 178.96 3hml s TYR 165 N -5.25 2.12 -0.95 2.45 2.02 0.14 -4.96 117.35 112.92 3hml s TYR 165 Ca -0.14 -2.68 0.12 0.00 -0.37 0.00 0.00 57.07 54.00 3hml s TYR 165 Cb 0.06 -1.73 0.53 0.00 -0.40 0.00 0.00 41.96 40.42 3hml s TYR 165 CO 0.70 -0.72 1.39 -0.35 -1.57 0.00 0.00 175.55 175.00 3hml n PRO 166 N 2.70 0.02 0.14 -1.71 -0.04 -1.09 -2.04 135.00 132.98 3hml n PRO 166 Ca 0.22 0.32 -0.00 0.00 -0.04 0.00 0.00 63.50 64.00 3hml n PRO 166 Cb 0.41 -1.54 0.15 0.00 -0.04 0.00 0.00 33.50 32.48 3hml n PRO 166 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3hml h TRP 167 N 0.00 0.00 -2.66 0.54 5.08 -1.93 -3.44 115.95 113.54 3hml h TRP 167 Ca 0.00 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.45 3hml h TRP 167 Cb 0.20 0.00 0.06 0.00 -3.00 0.00 0.00 29.16 26.42 3hml h TRP 167 CO 0.00 0.62 1.02 0.42 -1.28 0.00 0.00 178.44 179.22 3hml s ILE 168 N -3.42 2.09 0.26 0.12 1.01 -0.86 -4.95 121.20 115.45 3hml s ILE 168 Ca -0.00 0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 3hml s ILE 168 Cb 0.11 -3.02 -0.10 0.00 0.01 0.00 0.00 42.46 39.47 3hml s ILE 168 CO 0.75 0.00 1.38 -0.54 0.00 0.00 0.00 174.94 176.53 3hml s LYS 169 N 1.33 4.31 0.08 2.79 1.02 0.10 -4.93 119.74 124.44 3hml s LYS 169 Ca 0.75 2.23 -0.15 0.00 0.02 0.00 0.00 55.97 58.82 3hml s LYS 169 Cb -0.49 -3.12 -0.13 0.00 -0.52 0.00 0.00 37.83 33.57 3hml s LYS 169 CO 0.32 -0.32 1.34 1.05 -0.92 0.00 0.00 175.35 176.82 3hml h GLU 170 N 4.65 0.68 0.32 1.68 9.09 -1.92 -2.87 114.58 126.20 3hml h GLU 170 Ca -0.47 -0.45 0.00 0.00 0.05 0.00 0.00 59.36 58.50 3hml h GLU 170 Cb 1.22 0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 28.36 3hml h GLU 170 CO 0.74 1.07 -0.34 0.93 0.05 0.00 0.00 179.01 181.46 3hml h GLU 171 N 0.38 -0.67 -0.19 1.06 5.08 -1.99 -0.79 114.58 117.46 3hml h GLU 171 Ca 0.00 0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3hml h GLU 171 Cb 1.06 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3hml h GLU 171 CO 0.10 -0.44 -0.18 0.78 -1.00 0.00 0.00 179.01 178.26 3hml h GLY 172 N -0.69 0.35 1.71 -3.84 0.00 -1.82 -2.90 103.07 95.88 3hml h GLY 172 Ca -0.02 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 3hml h GLY 172 CO -0.07 0.23 -0.52 -1.82 0.00 0.00 0.00 176.54 174.36 3hml h TYR 173 N 0.30 0.38 -0.08 5.60 3.20 -1.19 -1.84 116.97 123.34 3hml h TYR 173 Ca 0.05 -0.13 -0.17 0.00 3.14 0.00 0.00 58.73 61.63 3hml h TYR 173 Cb 0.51 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.71 3hml h TYR 173 CO 0.01 0.76 -0.62 0.35 -1.64 0.00 0.00 178.16 177.03 3hml h PHE 174 N 0.24 0.78 -0.07 -3.82 3.57 -1.16 -2.35 116.94 114.13 3hml h PHE 174 Ca 0.01 -0.37 0.02 0.00 3.53 0.00 0.00 57.97 61.16 3hml h PHE 174 Cb 1.00 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 3hml h PHE 174 CO 0.02 1.17 0.05 -0.92 -2.23 0.00 0.00 178.31 176.40 3hml h TYR 175 N 0.17 0.00 0.18 0.41 3.20 -1.32 1.01 116.97 120.63 3hml h TYR 175 Ca -0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3hml h TYR 175 Cb 1.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.54 3hml h TYR 175 CO 0.11 0.00 -0.09 0.35 -1.64 0.00 0.00 178.16 176.90 3hml h PHE 176 N 0.00 -0.22 0.31 -3.82 3.57 -1.23 -2.82 116.94 112.73 3hml h PHE 176 Ca 0.03 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3hml h PHE 176 Cb 0.14 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3hml h PHE 176 CO 0.00 0.03 -0.24 0.00 -2.23 0.00 0.00 178.31 175.88 3hml h ARG 177 N -0.46 -0.53 0.03 1.11 3.08 -0.75 -3.11 114.38 113.75 3hml h ARG 177 Ca -0.02 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hml h ARG 177 Cb 0.36 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3hml h ARG 177 CO 0.04 -0.35 -0.11 0.77 -1.07 0.00 0.00 179.97 179.25 3hml h SER 178 N -0.55 -0.32 -0.92 7.04 0.02 0.92 -3.17 113.55 116.58 3hml h SER 178 Ca -0.02 0.03 0.17 0.00 -0.84 0.00 0.00 61.79 61.13 3hml h SER 178 Cb 0.48 0.12 -0.17 0.00 0.14 0.00 0.00 62.40 62.97 3hml h SER 178 CO -0.01 -0.11 -0.30 -0.09 -1.14 0.00 0.00 176.83 175.18 3hml h ARG 179 N -0.16 -0.02 -4.89 3.45 9.65 -1.62 -2.96 114.38 117.84 3hml h ARG 179 Ca -0.00 0.00 -0.46 0.00 -1.10 0.00 0.00 59.98 58.42 3hml h ARG 179 Cb 0.15 0.00 0.12 0.00 -1.39 0.00 0.00 29.97 28.86 3hml h ARG 179 CO -0.05 -0.01 1.23 1.28 2.80 0.00 0.00 179.97 185.21 3hml n LEU 180 N -5.54 0.68 0.00 3.80 4.32 -1.18 -4.96 117.00 114.12 3hml n LEU 180 Ca 0.12 -1.33 0.00 0.00 -0.02 0.00 0.00 56.01 54.78 3hml n LEU 180 Cb 0.44 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 3hml n LEU 180 CO -0.10 -1.80 0.02 -1.54 -1.22 0.00 0.00 177.39 172.76 3hml n SER 181 N 7.95 0.00 0.00 -1.43 3.41 -1.12 -4.99 113.62 117.44 3hml n SER 181 Ca 0.37 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 3hml n SER 181 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3hml n SER 181 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hml n ASP 186 N -0.10 0.00 0.03 4.04 8.00 -1.26 -5.02 116.55 122.23 3hml n ASP 186 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 3hml n ASP 186 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.19 0.00 2.53 0.31 -1.26 -3.65 118.33 116.46 3hml n VAL 187 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3hml n VAL 187 Cb 0.00 0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 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 -1.88 0.00 0.00 5.55 1.02 -1.26 -3.05 120.64 121.02 3hml n GLU 188 Ca 0.04 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3hml n GLU 188 Cb 0.41 -1.21 -0.00 0.00 -0.02 0.00 0.00 31.44 30.61 3hml n GLU 188 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3hml n HIS 189 N -0.65 0.00 0.00 -0.32 -0.00 -1.24 -4.26 115.22 108.75 3hml n HIS 189 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3hml n HIS 189 Cb 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.86 3hml n HIS 189 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3hml n GLY 190 N 3.22 -0.43 0.12 1.57 0.00 -1.17 0.51 105.19 109.02 3hml n GLY 190 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.43 2.28 0.00 0.99 7.94 -1.22 -3.43 117.00 122.13 3hml n LEU 191 Ca 0.00 -0.09 0.09 0.00 -1.11 0.00 0.00 56.01 54.90 3hml n LEU 191 Cb 0.07 -0.59 0.51 0.00 0.53 0.00 0.00 43.42 43.93 3hml n LEU 191 CO 0.00 0.83 0.74 0.00 -1.11 0.00 0.00 177.39 177.85 3hml n ALA 192 N -3.13 2.11 -0.01 1.96 0.00 0.18 -2.63 120.51 118.99 3hml n ALA 192 Ca -0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 52.90 3hml n ALA 192 Cb 1.03 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 3hml n ALA 192 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hml n LEU 193 N -1.07 0.73 0.01 0.00 7.94 -0.65 -3.70 117.00 120.26 3hml n LEU 193 Ca 0.12 -0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.89 3hml n LEU 193 Cb 0.08 0.02 -0.09 0.00 0.53 0.00 0.00 43.42 43.96 3hml n LEU 193 CO 0.11 0.18 0.73 0.00 -1.11 0.00 0.00 177.39 177.29 3hml h ALA 194 N 0.09 0.01 -0.54 1.96 0.00 -1.55 0.16 119.26 119.38 3hml h ALA 194 Ca -0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hml h ALA 194 Cb 1.14 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3hml h ALA 194 CO 0.00 -0.34 0.33 0.87 0.00 0.00 0.00 179.25 180.11 3hml h LYS 195 N -0.29 0.73 0.00 0.00 1.57 -1.74 0.38 116.57 117.22 3hml h LYS 195 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hml h LYS 195 Cb 0.30 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3hml h LYS 195 CO 0.00 0.51 -0.28 0.00 -0.57 0.00 0.00 179.45 179.11 3hml h ALA 196 N 1.62 0.84 0.00 3.86 0.00 -1.61 -3.37 119.26 120.61 3hml h ALA 196 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.85 3hml h ALA 196 Cb -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3hml h ALA 196 CO -0.04 0.00 -1.95 0.98 0.00 0.00 0.00 179.25 178.24 3hml n TYR 197 N -2.52 0.00 -2.85 0.00 9.36 0.55 -4.80 117.16 116.90 3hml n TYR 197 Ca 0.04 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.82 3hml n TYR 197 Cb 0.48 -0.68 0.00 0.00 -0.63 0.00 0.00 39.34 38.51 3hml n TYR 197 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3hml n ASP 199 N 3.14 3.25 -4.38 0.00 5.68 -1.26 -4.61 116.55 118.36 3hml n ASP 199 Ca 0.32 -1.97 -0.20 0.00 -0.50 0.00 0.00 54.79 52.44 3hml n ASP 199 Cb 0.37 -0.22 -0.10 0.00 -1.14 0.00 0.00 41.12 40.03 3hml n ASP 199 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3hml s SER 200 N -1.54 2.79 0.48 -1.12 1.04 -1.26 -4.97 113.70 109.12 3hml s SER 200 Ca 0.37 -1.06 0.13 0.00 0.48 0.00 0.00 55.95 55.88 3hml s SER 200 Cb 0.22 -0.17 1.12 0.00 0.10 0.00 0.00 66.02 67.29 3hml s SER 200 CO 0.31 -0.18 2.10 0.00 0.98 0.00 0.00 173.24 176.46 3hml h ALA 201 N 2.45 1.88 0.24 5.32 0.00 -1.88 -1.32 119.26 125.95 3hml h ALA 201 Ca -0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hml h ALA 201 Cb 1.23 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3hml h ALA 201 CO 0.63 0.10 -0.46 1.49 0.00 0.00 0.00 179.25 181.02 3hml h GLU 202 N 0.16 -0.72 -0.55 0.00 4.57 -1.94 -0.87 114.58 115.23 3hml h GLU 202 Ca 0.04 0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.17 3hml h GLU 202 Cb 0.02 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 3hml h GLU 202 CO -0.01 -0.48 -0.04 0.87 -1.18 0.00 0.00 179.01 178.18 3hml h LYS 203 N -0.75 0.99 0.88 1.92 1.57 -1.86 -2.93 116.57 116.38 3hml h LYS 203 Ca -0.03 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.38 3hml h LYS 203 Cb 0.71 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3hml h LYS 203 CO -0.17 1.01 -0.46 1.96 -0.57 0.00 0.00 179.45 181.22 3hml h GLN 204 N 0.87 -1.18 -0.90 3.15 4.20 -1.26 0.33 115.11 120.32 3hml h GLN 204 Ca 0.15 0.08 0.23 0.00 0.06 0.00 0.00 58.65 59.18 3hml h GLN 204 Cb 0.59 0.27 -0.16 0.00 0.30 0.00 0.00 27.48 28.48 3hml h GLN 204 CO 0.04 -0.79 0.07 -0.91 -0.67 0.00 0.00 178.83 176.57 3hml h ASN 205 N -1.23 -0.32 -0.36 1.46 2.35 -1.23 -0.87 115.58 115.37 3hml h ASN 205 Ca -0.12 0.24 -0.14 0.00 -0.55 0.00 0.00 56.30 55.73 3hml h ASN 205 Cb 0.96 0.39 -0.01 0.00 0.05 0.00 0.00 38.32 39.71 3hml h ASN 205 CO 0.17 -0.26 -0.33 -0.09 -1.65 0.00 0.00 177.43 175.28 3hml h ARG 206 N 0.08 0.86 -0.76 0.81 2.43 -1.31 -2.63 114.38 113.87 3hml h ARG 206 Ca 0.54 -0.44 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3hml h ARG 206 Cb 1.06 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 3hml h ARG 206 CO -0.79 1.09 0.42 1.98 -1.51 0.00 0.00 179.97 181.16 3hml h MET 207 N 0.67 1.05 -0.18 0.20 4.05 0.71 0.53 114.93 121.96 3hml h MET 207 Ca 0.06 -0.11 -0.08 0.00 -0.28 0.00 0.00 59.70 59.29 3hml h MET 207 Cb 0.91 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 3hml h MET 207 CO 0.08 0.77 -0.23 -0.07 0.23 0.00 0.00 176.91 177.69 3hml h LEU 208 N 1.06 0.32 -0.04 3.39 3.38 -1.12 0.06 115.31 122.37 3hml h LEU 208 Ca 0.27 -0.09 -0.26 0.00 0.09 0.00 0.00 57.88 57.89 3hml h LEU 208 Cb 0.02 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.70 3hml h LEU 208 CO -0.04 0.56 -0.99 -0.08 0.09 0.00 0.00 178.44 177.98 3hml h GLU 209 N 0.30 0.72 -0.77 1.13 4.57 -1.10 -0.86 114.58 118.58 3hml h GLU 209 Ca 0.05 -0.73 0.00 0.00 -1.18 0.00 0.00 59.36 57.50 3hml h GLU 209 Cb 0.57 0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 29.32 3hml h GLU 209 CO 0.04 1.31 0.49 0.82 -1.18 0.00 0.00 179.01 180.50 3hml h ILE 210 N 0.43 1.20 -0.64 2.32 2.04 -0.66 -1.15 117.51 121.05 3hml h ILE 210 Ca -0.11 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 3hml h ILE 210 Cb 1.64 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 3hml h ILE 210 CO 0.20 0.20 0.19 0.25 0.00 0.00 0.00 178.15 178.99 3hml h LEU 211 N 1.04 0.94 -0.42 1.44 5.85 -0.92 -2.24 115.31 121.00 3hml h LEU 211 Ca 0.28 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3hml h LEU 211 Cb -0.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 3hml h LEU 211 CO -0.06 0.91 0.27 -0.61 -0.34 0.00 0.00 178.44 178.61 3hml h GLN 212 N 0.93 0.54 -0.69 1.25 5.75 -0.90 -1.50 115.11 120.48 3hml h GLN 212 Ca 0.21 -0.03 0.12 0.00 -0.15 0.00 0.00 58.65 58.79 3hml h GLN 212 Cb 0.31 -0.12 -0.13 0.00 1.07 0.00 0.00 27.48 28.61 3hml h GLN 212 CO -0.00 0.36 -0.32 0.35 -2.65 0.00 0.00 178.83 176.56 3hml h PHE 213 N 0.56 -0.88 -0.61 3.99 3.57 -1.01 0.62 116.94 123.17 3hml h PHE 213 Ca 0.16 0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.75 3hml h PHE 213 Cb -0.05 0.49 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3hml h PHE 213 CO -0.05 -0.38 0.40 -0.22 -2.23 0.00 0.00 178.31 175.83 3hml h LYS 214 N -0.11 0.78 -0.33 1.11 1.63 -1.08 -2.07 116.57 116.50 3hml h LYS 214 Ca 0.27 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.97 3hml h LYS 214 Cb 0.56 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 3hml h LYS 214 CO -0.75 0.52 -0.06 -0.07 -3.45 0.00 0.00 179.45 175.64 3hml h LEU 215 N 0.80 0.51 -0.81 5.20 3.38 -0.73 -2.83 115.31 120.83 3hml h LEU 215 Ca 0.23 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3hml h LEU 215 Cb -0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3hml h LEU 215 CO -0.06 0.62 -0.00 0.44 0.09 0.00 0.00 178.44 179.53 3hml h ASP 216 N 0.51 0.87 -0.72 -0.43 3.32 -0.63 -1.74 116.42 117.60 3hml h ASP 216 Ca 0.10 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3hml h ASP 216 Cb 0.41 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 3hml h ASP 216 CO 0.02 0.93 0.47 0.40 -1.72 0.00 0.00 179.24 179.34 3hml h ILE 217 N 0.83 1.19 -0.23 0.35 2.04 -1.25 0.62 117.51 121.07 3hml h ILE 217 Ca 0.16 -0.36 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 3hml h ILE 217 Cb 0.49 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3hml h ILE 217 CO 0.02 0.19 -0.35 -0.07 0.00 0.00 0.00 178.15 177.94 3hml h LEU 218 N 0.98 0.70 -0.10 1.44 3.38 -1.33 -2.09 115.31 118.29 3hml h LEU 218 Ca 0.26 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3hml h LEU 218 Cb -0.10 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 3hml h LEU 218 CO -0.06 1.08 0.06 -0.25 0.09 0.00 0.00 178.44 179.37 3hml h TRP 219 N 0.34 0.12 -0.99 1.13 2.91 -1.28 -2.96 115.95 115.22 3hml h TRP 219 Ca 0.02 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.06 3hml h TRP 219 Cb 0.94 -0.04 -0.05 0.00 -0.51 0.00 0.00 29.16 29.49 3hml h TRP 219 CO 0.08 0.10 0.66 0.77 -1.03 0.00 0.00 178.44 179.03 3hml h SER 220 N 0.11 1.13 -0.44 2.65 0.02 -0.87 -0.28 113.55 115.87 3hml h SER 220 Ca 0.03 -0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.05 3hml h SER 220 Cb 0.01 -0.28 -0.08 0.00 0.14 0.00 0.00 62.40 62.20 3hml h SER 220 CO -0.01 0.81 -0.05 0.24 -1.14 0.00 0.00 176.83 176.68 3hml h MET 221 N 1.33 0.05 0.00 3.45 2.86 -1.31 -0.73 114.93 120.59 3hml h MET 221 Ca 0.37 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.93 3hml h MET 221 Cb -0.12 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 3hml h MET 221 CO -0.09 0.04 -0.39 -0.07 1.06 0.00 0.00 176.91 177.46 3hml h LEU 222 N 0.06 0.00 -0.33 1.22 3.38 -1.25 -1.93 115.31 116.46 3hml h LEU 222 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3hml h LEU 222 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3hml h LEU 222 CO -0.41 0.39 0.18 0.44 0.09 0.00 0.00 178.44 179.13 3hml h ASP 223 N 0.00 0.42 -0.77 -0.43 3.32 -0.64 0.59 116.42 118.91 3hml h ASP 223 Ca -0.00 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 56.98 3hml h ASP 223 Cb 0.90 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.30 3hml h ASP 223 CO 0.05 0.38 0.50 0.00 -1.72 0.00 0.00 179.24 178.45 3hml h ALA 224 N 1.05 0.98 -0.34 3.45 0.00 -0.92 -1.76 119.26 121.72 3hml h ALA 224 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3hml h ALA 224 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hml h ALA 224 CO -0.02 0.35 -0.10 0.52 0.00 0.00 0.00 179.25 180.00 3hml h MET 225 N 1.00 0.67 -0.22 0.00 2.86 -1.22 -2.91 114.93 115.12 3hml h MET 225 Ca 0.29 -0.27 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3hml h MET 225 Cb -0.07 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.49 3hml h MET 225 CO -0.08 0.85 -0.50 1.15 1.06 0.00 0.00 176.91 179.39 3hml h THR 226 N 0.46 0.00 -1.00 2.22 2.02 -0.65 -1.62 112.91 114.34 3hml h THR 226 Ca 0.08 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.49 3hml h THR 226 Cb 0.61 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.93 3hml h THR 226 CO 0.04 0.00 0.63 0.24 0.37 0.00 0.00 175.52 176.80 3hml h MET 227 N -0.46 0.51 0.17 6.66 2.86 -1.32 -0.18 114.93 123.16 3hml h MET 227 Ca 0.04 -0.03 -0.36 0.00 -2.06 0.00 0.00 59.70 57.30 3hml h MET 227 Cb 0.58 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3hml h MET 227 CO -0.45 0.34 -1.84 0.00 1.06 0.00 0.00 176.91 176.01 3hml h ALA 228 N 1.64 0.25 0.00 6.32 0.00 -1.28 0.49 119.26 126.68 3hml h ALA 228 Ca 0.57 -1.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 3hml h ALA 228 Cb 1.23 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 3hml h ALA 228 CO -0.31 1.13 -1.30 0.66 0.00 0.00 0.00 179.25 179.42 3hml n TYR 229 N -3.56 0.00 -0.04 0.00 4.01 -0.64 -3.84 117.16 113.09 3hml n TYR 229 Ca -0.27 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.45 3hml n TYR 229 Cb 1.06 -0.20 -0.14 0.00 -0.31 0.00 0.00 39.34 39.75 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 -2.03 1.98 0.18 -0.72 0.00 -0.21 -4.59 120.51 115.13 3hml n ALA 230 Ca -0.06 -0.89 0.02 0.00 0.00 0.00 0.00 53.44 52.51 3hml n ALA 230 Cb 0.50 -0.56 0.02 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.65 1.29 -3.58 0.00 4.77 -0.42 -5.00 117.00 111.41 3hml n LEU 231 Ca -0.18 -0.97 -0.27 0.00 -0.03 0.00 0.00 56.01 54.56 3hml n LEU 231 Cb 0.91 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.02 3hml n LEU 231 CO 0.44 0.28 0.04 0.00 -1.33 0.00 0.00 177.39 176.82 3hml n GLN 232 N 0.16 -4.76 -2.62 3.23 1.13 -1.22 -4.94 117.38 108.37 3hml n GLN 232 Ca 0.02 0.62 -0.24 0.00 -1.94 0.00 0.00 57.00 55.46 3hml n GLN 232 Cb 0.11 -5.45 -0.00 0.00 0.11 0.00 0.00 30.24 25.00 3hml n GLN 232 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3hml n ARG 233 N -4.27 2.91 -0.91 -1.09 1.74 0.17 -4.99 116.66 110.23 3hml n ARG 233 Ca -0.00 -4.32 -0.30 0.00 -0.77 0.00 0.00 57.85 52.46 3hml n ARG 233 Cb 0.55 -2.06 0.17 0.00 -1.02 0.00 0.00 32.46 30.10 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 -3.41 0.72 0.18 5.56 0.04 -1.20 -4.33 135.00 132.57 3hml s PRO 234 Ca 0.44 1.04 -0.32 0.00 0.04 0.00 0.00 61.00 62.20 3hml s PRO 234 Cb 0.39 -1.73 -0.15 0.00 0.04 0.00 0.00 34.50 33.04 3hml s PRO 234 CO -0.14 -2.68 1.21 -2.30 0.04 0.00 0.00 177.00 173.14 3hml n PRO 235 N -4.21 1.33 -1.42 0.56 -0.02 -1.26 -1.88 135.00 128.10 3hml n PRO 235 Ca 0.07 0.47 -0.12 0.00 -2.02 0.00 0.00 63.50 61.90 3hml n PRO 235 Cb 0.54 -2.00 -0.05 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.58 -0.04 0.27 6.00 4.01 -1.26 -4.78 117.16 122.95 3hml n TYR 236 Ca 0.14 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 58.04 3hml n TYR 236 Cb 0.26 -2.29 0.90 0.00 -0.31 0.00 0.00 39.34 37.89 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 0.00 -0.00 -0.72 2.07 -1.55 0.70 115.15 115.64 3hml h HIS 237 Ca -0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 3hml h HIS 237 Cb 0.83 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.81 3hml h HIS 237 CO 0.35 0.00 -0.03 0.25 -3.07 0.00 0.00 177.93 175.43 3hml n THR 238 N -3.79 0.00 -0.04 6.12 -2.24 -1.26 -4.03 114.28 109.05 3hml n THR 238 Ca -0.01 -0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.72 3hml n THR 238 Cb 0.17 -0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.45 0.45 -3.70 2.28 0.31 0.17 -5.07 118.33 111.32 3hml n VAL 239 Ca 0.08 -0.22 -0.11 0.00 -0.01 0.00 0.00 64.34 64.08 3hml n VAL 239 Cb 0.32 -0.81 -0.06 0.00 -0.91 0.00 0.00 33.84 32.38 3hml n VAL 239 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3hml s THR 240 N -2.16 0.08 -1.25 2.52 2.01 -0.78 -5.02 115.64 111.03 3hml s THR 240 Ca -0.07 -0.63 0.25 0.00 0.31 0.00 0.00 61.69 61.55 3hml s THR 240 Cb 0.02 -1.06 0.08 0.00 0.01 0.00 0.00 72.50 71.55 3hml s THR 240 CO 0.22 -0.35 1.44 0.47 -0.69 0.00 0.00 174.62 175.71 3hml n ASP 241 N 0.22 0.70 -4.91 3.53 8.00 -1.26 -4.27 116.55 118.56 3hml n ASP 241 Ca -0.17 -0.50 -0.29 0.00 0.71 0.00 0.00 54.79 54.54 3hml n ASP 241 Cb 0.61 0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 41.92 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 -2.83 3.57 0.06 -1.24 1.02 -1.26 -5.06 119.74 114.00 3hml s LYS 242 Ca 0.15 -0.21 -0.31 0.00 0.02 0.00 0.00 55.97 55.63 3hml s LYS 242 Cb 0.18 -2.82 -0.08 0.00 -0.52 0.00 0.00 37.83 34.58 3hml s LYS 242 CO 0.65 0.41 1.66 0.00 -0.92 0.00 0.00 175.35 177.15 3hml s ALA 243 N -1.80 3.68 0.00 5.17 0.00 -1.26 -4.92 121.76 122.63 3hml s ALA 243 Ca 0.40 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.56 3hml s ALA 243 Cb -0.11 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3hml s ALA 243 CO 0.27 -1.14 0.24 0.00 0.00 0.00 0.00 175.76 175.14 3hml n ALA 244 N 5.74 1.11 -1.07 0.00 0.00 -1.26 -5.07 120.51 119.97 3hml n ALA 244 Ca 0.16 -0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 3hml n ALA 244 Cb 0.41 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.02 2.11 0.56 0.00 -2.14 -1.26 -5.01 118.94 113.18 3hml s TRP 245 Ca 0.00 1.29 -0.18 0.00 2.66 0.00 0.00 56.10 59.87 3hml s TRP 245 Cb 0.00 -3.18 -0.05 0.00 -3.10 0.00 0.00 33.47 27.15 3hml s TRP 245 CO 0.00 -2.66 1.07 -3.38 -2.66 0.00 0.00 176.95 169.33 3hml s HIS 246 N -2.84 2.89 -0.05 1.66 -3.43 -1.26 -4.98 115.29 107.27 3hml s HIS 246 Ca 0.64 1.54 0.08 0.00 -0.80 0.00 0.00 55.06 56.52 3hml s HIS 246 Cb -0.19 -3.10 0.11 0.00 -1.43 0.00 0.00 32.58 27.98 3hml s HIS 246 CO 0.58 -1.19 1.03 0.25 -2.00 0.00 0.00 174.74 173.41 3hml n THR 247 N -1.65 0.80 -5.04 -5.38 -2.24 -1.26 -4.84 114.28 94.67 3hml n THR 247 Ca 0.10 -0.95 -0.29 0.00 -2.27 0.00 0.00 64.05 60.64 3hml n THR 247 Cb 0.52 0.24 -0.17 0.00 -2.10 0.00 0.00 70.33 68.82 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 -1.19 1.76 -0.81 4.28 2.01 -1.26 -4.76 115.64 115.67 3hml s THR 248 Ca 0.13 -0.88 -0.25 0.00 0.31 0.00 0.00 61.69 61.00 3hml s THR 248 Cb 0.11 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 3hml s THR 248 CO 0.01 0.50 1.82 -0.13 -0.69 0.00 0.00 174.62 176.13 3hml s ARG 249 N 0.16 2.73 0.15 4.92 0.52 -1.26 -4.89 118.95 121.29 3hml s ARG 249 Ca -0.10 -0.09 -0.15 0.00 -0.52 0.00 0.00 55.73 54.87 3hml s ARG 249 Cb -0.15 -4.82 0.02 0.00 0.52 0.00 0.00 34.95 30.52 3hml s ARG 249 CO 0.05 -2.96 1.72 -0.07 0.02 0.00 0.00 175.30 174.06 3hml h LEU 250 N 16.52 0.61 -0.19 2.53 3.38 -1.97 -1.14 115.31 135.06 3hml h LEU 250 Ca -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3hml h LEU 250 Cb 1.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3hml h LEU 250 CO 1.24 0.58 0.00 1.33 0.09 0.00 0.00 178.44 181.68 3hml n VAL 251 N -4.63 0.60 -0.07 1.22 0.24 -1.26 -3.71 118.33 110.73 3hml n VAL 251 Ca 0.01 0.03 -0.07 0.00 -2.04 0.00 0.00 64.34 62.27 3hml n VAL 251 Cb 0.13 -0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 31.59 3hml n VAL 251 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3hml n LEU 252 N -1.93 0.50 -0.35 1.34 4.77 -1.11 -5.33 117.00 114.89 3hml n LEU 252 Ca 0.05 -0.01 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 3hml n LEU 252 Cb 0.30 0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.60 3hml n LEU 252 CO 0.23 0.39 0.39 -0.62 -1.33 0.00 0.00 177.39 176.46