#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iml s LEU 6 N 0.00 3.66 -0.08 -3.48 1.43 -1.26 -0.30 118.68 118.65 3iml s LEU 6 Ca 0.00 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3iml s LEU 6 Cb 0.00 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 3iml s LEU 6 CO 0.00 -0.05 -0.11 0.12 0.23 0.00 0.00 176.35 176.54 3iml s PHE 7 N 1.66 2.82 -0.07 0.29 5.36 0.10 -4.95 117.98 123.19 3iml s PHE 7 Ca 0.06 -0.22 0.04 0.00 -0.96 0.00 0.00 56.93 55.85 3iml s PHE 7 Cb -0.16 -1.72 0.00 0.00 -0.34 0.00 0.00 43.02 40.81 3iml s PHE 7 CO 0.06 0.13 -0.17 0.99 -1.46 0.00 0.00 175.22 174.76 3iml s THR 8 N -0.44 1.49 0.42 0.12 2.01 -1.26 -0.44 115.64 117.54 3iml s THR 8 Ca 0.06 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.38 3iml s THR 8 Cb -0.12 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 3iml s THR 8 CO 0.02 0.43 0.04 -0.44 -0.69 0.00 0.00 174.62 173.98 3iml s SER 9 N 0.34 3.40 0.13 3.53 0.01 -0.70 -4.91 113.70 115.50 3iml s SER 9 Ca -0.12 -1.51 -0.08 0.00 1.31 0.00 0.00 55.95 55.55 3iml s SER 9 Cb -0.15 0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.19 3iml s SER 9 CO 0.04 -0.70 0.22 -1.83 0.41 0.00 0.00 173.24 171.38 3iml s GLU 10 N -3.80 1.01 0.25 12.44 -1.05 -1.26 -1.62 118.70 124.67 3iml s GLU 10 Ca 0.25 -1.13 -0.08 0.00 -0.15 0.00 0.00 54.97 53.85 3iml s GLU 10 Cb 0.06 0.34 -0.01 0.00 -0.44 0.00 0.00 34.13 34.08 3iml s GLU 10 CO 0.12 -0.34 0.39 0.45 0.95 0.00 0.00 175.26 176.83 3iml s SER 11 N -2.94 0.11 0.04 0.83 0.15 -0.42 -4.69 113.70 106.80 3iml s SER 11 Ca 0.13 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.66 3iml s SER 11 Cb 0.04 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 3iml s SER 11 CO -0.04 -1.09 -0.04 0.68 1.20 0.00 0.00 173.24 173.95 3iml s VAL 12 N -3.91 0.30 0.95 4.45 -7.23 -1.26 -1.03 120.40 112.67 3iml s VAL 12 Ca 0.28 -1.38 -0.14 0.00 -1.81 0.00 0.00 61.98 58.92 3iml s VAL 12 Cb 0.01 -0.94 0.16 0.00 0.56 0.00 0.00 36.38 36.18 3iml s VAL 12 CO 0.11 -0.70 1.18 -0.94 -0.31 0.00 0.00 175.10 174.44 3iml s SER 13 N -2.19 3.19 0.27 4.85 1.04 0.25 -4.55 113.70 116.56 3iml s SER 13 Ca -0.03 0.74 0.22 0.00 0.48 0.00 0.00 55.95 57.36 3iml s SER 13 Cb -0.02 -1.14 1.02 0.00 0.10 0.00 0.00 66.02 65.98 3iml s SER 13 CO -0.04 -2.73 1.68 -1.84 0.98 0.00 0.00 173.24 171.28 3iml n GLU 14 N -3.85 0.17 0.00 4.02 0.28 -1.26 -2.02 120.64 117.98 3iml n GLU 14 Ca 0.10 0.49 0.13 0.00 -0.16 0.00 0.00 57.16 57.72 3iml n GLU 14 Cb 0.60 -1.89 0.38 0.00 1.43 0.00 0.00 31.44 31.95 3iml n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3iml n GLY 15 N -0.47 -0.22 3.76 -1.84 0.00 -1.24 -3.85 105.19 101.34 3iml n GLY 15 Ca 0.01 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 3iml n GLY 15 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3iml s HIS 16 N -2.28 3.15 0.24 1.61 5.65 -0.86 -4.14 115.29 118.66 3iml s HIS 16 Ca 0.29 1.35 -0.04 0.00 0.25 0.00 0.00 55.06 56.90 3iml s HIS 16 Cb 0.20 -3.64 0.39 0.00 -1.18 0.00 0.00 32.58 28.34 3iml s HIS 16 CO 0.44 -1.84 1.82 -1.00 -0.65 0.00 0.00 174.74 173.51 3iml h PRO 17 N 4.10 0.81 -0.69 2.88 0.13 -1.88 0.15 132.00 137.51 3iml h PRO 17 Ca -0.47 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 3iml h PRO 17 Cb 1.22 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 3iml h PRO 17 CO 0.70 0.54 0.40 -0.44 -0.23 0.00 0.00 178.00 178.97 3iml h ASP 18 N 0.84 0.83 0.74 1.44 3.32 -1.83 -2.50 116.42 119.25 3iml h ASP 18 Ca 0.39 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 57.20 3iml h ASP 18 Cb 0.32 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3iml h ASP 18 CO -0.23 0.64 -0.88 0.11 -1.72 0.00 0.00 179.24 177.16 3iml h LYS 19 N 0.95 0.09 -0.34 3.56 6.56 -1.25 -2.31 116.57 123.83 3iml h LYS 19 Ca 0.25 -0.11 0.05 0.00 -1.06 0.00 0.00 60.65 59.77 3iml h LYS 19 Cb -0.02 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.63 3iml h LYS 19 CO -0.04 0.91 0.08 0.28 -2.06 0.00 0.00 179.45 178.62 3iml h VAL 20 N 0.05 0.85 -0.21 0.50 2.07 -0.63 -0.60 116.25 118.28 3iml h VAL 20 Ca -0.03 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3iml h VAL 20 Cb 1.54 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3iml h VAL 20 CO 0.13 0.04 0.13 0.00 0.02 0.00 0.00 177.57 177.88 3iml h ALA 21 N 1.24 0.27 -0.56 1.67 0.00 -1.35 0.40 119.26 120.93 3iml h ALA 21 Ca 0.16 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3iml h ALA 21 Cb 0.16 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 3iml h ALA 21 CO -0.19 -0.23 0.23 -0.44 0.00 0.00 0.00 179.25 178.61 3iml h ASP 22 N 0.26 0.27 0.00 0.00 3.32 -1.30 -0.45 116.42 118.52 3iml h ASP 22 Ca 0.08 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 3iml h ASP 22 Cb 0.01 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3iml h ASP 22 CO -0.01 0.18 -0.42 1.56 -1.72 0.00 0.00 179.24 178.83 3iml h GLN 23 N 0.44 0.52 -0.06 3.56 4.20 -0.55 -0.15 115.11 123.06 3iml h GLN 23 Ca 0.27 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3iml h GLN 23 Cb 0.27 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3iml h GLN 23 CO -0.24 0.85 -0.01 0.82 -0.67 0.00 0.00 178.83 179.57 3iml h ILE 24 N 0.43 1.27 -0.63 2.54 2.04 -0.70 0.16 117.51 122.63 3iml h ILE 24 Ca 0.03 -0.86 0.13 0.00 1.00 0.00 0.00 64.86 65.16 3iml h ILE 24 Cb 0.91 1.73 -0.12 0.00 -0.74 0.00 0.00 36.82 38.60 3iml h ILE 24 CO 0.08 0.24 -0.18 0.28 0.00 0.00 0.00 178.15 178.57 3iml h SER 25 N -0.20 -0.65 1.46 1.72 0.02 -0.93 -1.72 113.55 113.25 3iml h SER 25 Ca 0.02 0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 3iml h SER 25 Cb 0.38 0.41 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 3iml h SER 25 CO 0.00 -0.22 -0.42 0.44 -1.14 0.00 0.00 176.83 175.49 3iml h ASP 26 N -0.02 0.00 0.30 3.07 3.32 -0.86 -2.21 116.42 120.02 3iml h ASP 26 Ca 0.30 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.27 3iml h ASP 26 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3iml h ASP 26 CO -0.66 0.42 -0.36 0.00 -1.72 0.00 0.00 179.24 176.92 3iml h ALA 27 N 1.58 1.32 0.06 3.45 0.00 -0.32 -0.63 119.26 124.72 3iml h ALA 27 Ca -0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 54.91 54.31 3iml h ALA 27 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3iml h ALA 27 CO 0.05 0.49 -1.07 0.82 0.00 0.00 0.00 179.25 179.54 3iml h ILE 28 N 0.08 1.45 0.34 0.00 2.04 -1.20 -2.27 117.51 117.94 3iml h ILE 28 Ca 0.01 -2.73 -0.02 0.00 1.00 0.00 0.00 64.86 63.12 3iml h ILE 28 Cb 0.68 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 3iml h ILE 28 CO 0.05 0.80 -0.16 0.25 0.00 0.00 0.00 178.15 179.09 3iml h LEU 29 N 0.15 -0.38 -0.12 1.44 5.85 -1.07 -1.60 115.31 119.58 3iml h LEU 29 Ca -0.10 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3iml h LEU 29 Cb 1.75 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.85 3iml h LEU 29 CO 0.18 -0.24 -0.08 0.44 -0.34 0.00 0.00 178.44 178.40 3iml h ASP 30 N -0.49 -0.26 -0.74 1.25 3.32 -1.17 0.11 116.42 118.43 3iml h ASP 30 Ca -0.05 0.06 0.13 0.00 0.02 0.00 0.00 57.03 57.19 3iml h ASP 30 Cb 0.37 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 3iml h ASP 30 CO 0.08 -0.11 0.49 0.00 -1.72 0.00 0.00 179.24 177.98 3iml h ALA 31 N 1.01 2.01 -0.03 3.45 0.00 -1.34 0.35 119.26 124.72 3iml h ALA 31 Ca 0.07 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3iml h ALA 31 Cb 0.19 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3iml h ALA 31 CO -0.17 -0.20 -0.39 0.82 0.00 0.00 0.00 179.25 179.31 3iml h ILE 32 N 0.49 1.46 0.00 0.00 2.04 -0.52 -3.31 117.51 117.66 3iml h ILE 32 Ca 0.36 -1.89 -0.06 0.00 1.00 0.00 0.00 64.86 64.26 3iml h ILE 32 Cb 0.72 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 39.31 3iml h ILE 32 CO -0.12 0.54 -0.30 -0.07 0.00 0.00 0.00 178.15 178.20 3iml h LEU 33 N -0.22 0.00 -1.75 1.44 3.38 0.52 0.53 115.31 119.20 3iml h LEU 33 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3iml h LEU 33 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3iml h LEU 33 CO 0.08 0.30 -0.17 0.00 0.09 0.00 0.00 178.44 178.74 3iml h ALA 34 N 1.70 1.39 0.00 1.53 0.00 -0.45 -3.14 119.26 120.29 3iml h ALA 34 Ca -0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.44 3iml h ALA 34 Cb 0.70 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 3iml h ALA 34 CO 0.04 0.21 -2.27 1.04 0.00 0.00 0.00 179.25 178.27 3iml n GLN 35 N -3.85 0.88 -3.31 0.00 6.02 -0.90 -4.93 117.38 111.30 3iml n GLN 35 Ca -0.02 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.85 3iml n GLN 35 Cb 0.26 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.98 3iml n GLN 35 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3iml s ASP 36 N -5.24 0.43 0.14 1.08 -1.08 0.13 -4.83 116.67 107.29 3iml s ASP 36 Ca -0.09 -0.38 0.25 0.00 -0.52 0.00 0.00 52.55 51.81 3iml s ASP 36 Cb 0.06 1.08 0.94 0.00 -1.46 0.00 0.00 42.92 43.55 3iml s ASP 36 CO 0.78 -0.35 1.78 2.29 0.52 0.00 0.00 175.17 180.19 3iml n LYS 37 N 5.35 0.15 -0.61 4.34 2.85 -1.21 -2.71 118.16 126.33 3iml n LYS 37 Ca 0.00 0.19 0.09 0.00 -1.05 0.00 0.00 58.31 57.55 3iml n LYS 37 Cb 0.49 -1.70 0.35 0.00 -0.65 0.00 0.00 35.03 33.52 3iml n LYS 37 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3iml n TYR 38 N -1.97 1.47 -2.04 5.58 4.01 -1.26 -4.85 117.16 118.11 3iml n TYR 38 Ca 0.05 -0.58 -0.38 0.00 -0.16 0.00 0.00 57.90 56.83 3iml n TYR 38 Cb 0.35 -0.25 0.01 0.00 -0.31 0.00 0.00 39.34 39.14 3iml n TYR 38 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3iml s SER 39 N -0.87 5.76 -0.25 7.72 0.01 -1.10 -5.01 113.70 119.96 3iml s SER 39 Ca 0.50 2.52 -0.12 0.00 1.31 0.00 0.00 55.95 60.16 3iml s SER 39 Cb 0.32 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 3iml s SER 39 CO 0.24 -1.22 0.25 -0.13 0.41 0.00 0.00 173.24 172.79 3iml s ARG 40 N -2.79 4.05 -0.05 12.44 1.81 -0.40 -4.86 118.95 129.16 3iml s ARG 40 Ca 0.67 -0.15 0.01 0.00 -1.72 0.00 0.00 55.73 54.55 3iml s ARG 40 Cb -0.34 -3.59 0.02 0.00 -0.45 0.00 0.00 34.95 30.59 3iml s ARG 40 CO 0.41 -0.08 -0.05 0.08 -0.68 0.00 0.00 175.30 174.98 3iml s VAL 41 N 1.46 0.61 -0.49 3.52 1.01 -1.26 -0.53 120.40 124.72 3iml s VAL 41 Ca 0.11 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.96 3iml s VAL 41 Cb -0.15 -0.63 0.16 0.00 0.00 0.00 0.00 36.38 35.77 3iml s VAL 41 CO 0.08 0.24 0.36 0.00 0.00 0.00 0.00 175.10 175.78 3iml s ALA 42 N 0.93 2.16 -0.40 5.51 0.00 0.66 -1.83 121.76 128.79 3iml s ALA 42 Ca -0.11 -2.82 -0.15 0.00 0.00 0.00 0.00 51.96 48.88 3iml s ALA 42 Cb -0.14 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.19 3iml s ALA 42 CO 0.00 -2.03 0.34 0.00 0.00 0.00 0.00 175.76 174.07 3iml s ALA 43 N -0.24 3.47 -0.08 0.00 0.00 0.30 -1.95 121.76 123.27 3iml s ALA 43 Ca 0.27 -1.56 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 3iml s ALA 43 Cb -0.05 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3iml s ALA 43 CO -0.14 -1.40 0.11 -1.21 0.00 0.00 0.00 175.76 173.13 3iml s GLU 44 N 1.87 3.30 -0.03 0.00 0.41 0.16 -4.31 118.70 120.09 3iml s GLU 44 Ca 0.08 -0.26 0.02 0.00 -0.41 0.00 0.00 54.97 54.40 3iml s GLU 44 Cb -0.18 -3.05 0.01 0.00 -1.78 0.00 0.00 34.13 29.13 3iml s GLU 44 CO 0.11 0.73 -0.09 0.99 -0.49 0.00 0.00 175.26 176.51 3iml s THR 45 N -1.08 0.80 -0.08 3.63 2.01 -1.26 -1.15 115.64 118.51 3iml s THR 45 Ca 0.18 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.86 3iml s THR 45 Cb -0.12 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.67 3iml s THR 45 CO 0.08 0.26 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.87 3iml s LEU 46 N 0.37 1.82 -0.02 4.42 0.20 -0.04 -1.85 118.68 123.58 3iml s LEU 46 Ca -0.06 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 54.37 3iml s LEU 46 Cb -0.11 -1.08 0.00 0.00 -0.43 0.00 0.00 46.19 44.58 3iml s LEU 46 CO 0.01 0.08 -0.07 0.00 -0.29 0.00 0.00 176.35 176.07 3iml n ASN 48 N 3.19 0.10 0.17 0.00 6.94 0.10 -0.81 115.26 124.95 3iml n ASN 48 Ca -0.17 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.26 3iml n ASN 48 Cb 0.55 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.90 3iml n ASN 48 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3iml h THR 49 N 0.00 0.00 -0.42 5.53 2.02 -1.71 -3.26 112.91 115.07 3iml h THR 49 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3iml h THR 49 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3iml h THR 49 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3iml n GLY 50 N -1.40 2.93 2.89 2.16 0.00 -1.26 -4.64 105.19 105.86 3iml n GLY 50 Ca -0.08 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 3iml n GLY 50 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iml s LEU 51 N -1.38 1.58 -0.10 0.99 2.96 -1.23 -0.23 118.68 121.27 3iml s LEU 51 Ca 0.33 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.21 3iml s LEU 51 Cb 0.20 -0.25 0.00 0.00 0.50 0.00 0.00 46.19 46.64 3iml s LEU 51 CO 0.18 -0.02 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.28 3iml s VAL 52 N 0.48 1.90 -0.14 1.68 1.01 -0.18 -0.72 120.40 124.43 3iml s VAL 52 Ca -0.05 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3iml s VAL 52 Cb -0.08 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 3iml s VAL 52 CO -0.01 0.52 -0.17 -0.69 0.00 0.00 0.00 175.10 174.76 3iml s VAL 53 N 0.50 2.57 -0.18 2.92 1.01 0.26 -0.74 120.40 126.75 3iml s VAL 53 Ca -0.16 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 3iml s VAL 53 Cb -0.17 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.15 3iml s VAL 53 CO 0.06 0.53 -0.13 -0.76 0.00 0.00 0.00 175.10 174.80 3iml s LEU 54 N 0.64 2.55 0.32 3.92 1.43 0.00 -0.87 118.68 126.66 3iml s LEU 54 Ca -0.09 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.50 3iml s LEU 54 Cb -0.16 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 3iml s LEU 54 CO 0.03 0.04 0.44 0.00 0.23 0.00 0.00 176.35 177.09 3iml s ALA 55 N 1.09 0.68 0.00 4.21 0.00 -0.30 0.03 121.76 127.47 3iml s ALA 55 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.51 3iml s ALA 55 Cb -0.14 1.17 0.00 0.00 0.00 0.00 0.00 23.12 24.15 3iml s ALA 55 CO -0.04 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.35 3iml n GLY 56 N -0.52 -0.34 3.15 0.00 0.00 -1.26 -0.66 105.19 105.56 3iml n GLY 56 Ca 0.01 -2.21 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 3iml n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iml s GLU 57 N 0.00 2.83 -0.05 1.61 8.01 -0.82 -0.19 118.70 130.09 3iml s GLU 57 Ca 0.00 -0.79 -0.00 0.00 0.01 0.00 0.00 54.97 54.19 3iml s GLU 57 Cb 0.00 -2.28 0.03 0.00 -4.31 0.00 0.00 34.13 27.56 3iml s GLU 57 CO 0.00 0.00 -0.00 0.42 0.01 0.00 0.00 175.26 175.69 3iml s ILE 58 N 0.78 0.29 -0.24 -1.63 1.01 -0.67 -0.25 121.20 120.49 3iml s ILE 58 Ca -0.09 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.68 3iml s ILE 58 Cb -0.16 -0.42 0.04 0.00 0.01 0.00 0.00 42.46 41.94 3iml s ILE 58 CO -0.00 0.21 -0.13 -0.89 0.00 0.00 0.00 174.94 174.13 3iml s THR 59 N 1.49 2.24 0.18 2.92 2.01 0.31 -1.42 115.64 123.37 3iml s THR 59 Ca -0.03 -1.37 -0.22 0.00 0.31 0.00 0.00 61.69 60.39 3iml s THR 59 Cb -0.13 -2.19 0.06 0.00 0.01 0.00 0.00 72.50 70.24 3iml s THR 59 CO -0.03 0.16 0.60 0.28 -0.69 0.00 0.00 174.62 174.94 3iml s THR 60 N 1.18 0.01 -0.96 -0.82 -1.32 -1.23 -1.27 115.64 111.23 3iml s THR 60 Ca -0.04 -0.27 0.22 0.00 -1.21 0.00 0.00 61.69 60.38 3iml s THR 60 Cb -0.18 -1.23 -0.19 0.00 -1.51 0.00 0.00 72.50 69.39 3iml s THR 60 CO -0.07 -0.03 0.97 0.35 -2.21 0.00 0.00 174.62 173.63 3iml n THR 61 N -0.38 0.00 -1.73 5.08 -2.24 -1.26 -4.89 114.28 108.86 3iml n THR 61 Ca -0.14 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 3iml n THR 61 Cb 0.64 0.83 0.02 0.00 -2.10 0.00 0.00 70.33 69.72 3iml n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iml n ALA 62 N -1.53 1.63 -3.87 6.98 0.00 -1.26 -5.01 120.51 117.45 3iml n ALA 62 Ca 0.04 0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 3iml n ALA 62 Cb 0.34 -2.33 -0.14 0.00 0.00 0.00 0.00 19.45 17.32 3iml n ALA 62 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3iml s ASN 63 N -0.63 4.78 0.01 0.00 0.01 -1.26 -5.11 114.94 112.74 3iml s ASN 63 Ca 0.64 -1.59 0.08 0.00 -0.71 0.00 0.00 52.86 51.28 3iml s ASN 63 Cb -0.46 -1.66 -0.02 0.00 0.41 0.00 0.00 41.25 39.52 3iml s ASN 63 CO 0.55 -0.30 -0.26 -0.63 -1.51 0.00 0.00 177.10 174.95 3iml s ILE 64 N 1.12 2.06 -0.96 0.60 -1.09 -1.26 -5.07 121.20 116.60 3iml s ILE 64 Ca -0.01 -1.21 -0.21 0.00 -2.23 0.00 0.00 60.65 56.99 3iml s ILE 64 Cb -0.20 -1.73 0.09 0.00 -1.58 0.00 0.00 42.46 39.04 3iml s ILE 64 CO -0.04 0.48 1.26 -0.62 -1.23 0.00 0.00 174.94 174.79 3iml s ASP 65 N -0.87 6.56 0.20 3.58 -1.08 -1.26 -4.90 116.67 118.91 3iml s ASP 65 Ca 0.11 -1.75 -0.11 0.00 -0.52 0.00 0.00 52.55 50.28 3iml s ASP 65 Cb -0.10 -2.47 0.17 0.00 -1.46 0.00 0.00 42.92 39.06 3iml s ASP 65 CO 0.00 -1.27 1.85 1.88 0.52 0.00 0.00 175.17 178.15 3iml h TYR 66 N 9.27 0.81 -0.10 -5.34 0.05 -2.00 -2.36 116.97 117.31 3iml h TYR 66 Ca 0.16 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.96 3iml h TYR 66 Cb 1.02 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 38.49 3iml h TYR 66 CO 1.21 0.47 0.06 0.82 -1.05 0.00 0.00 178.16 179.67 3iml h ILE 67 N 0.85 1.06 -0.77 -2.88 2.04 -1.99 -1.62 117.51 114.20 3iml h ILE 67 Ca 0.27 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 66.02 3iml h ILE 67 Cb 0.00 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3iml h ILE 67 CO -0.10 0.06 0.46 -0.61 0.00 0.00 0.00 178.15 177.95 3iml h GLN 68 N 0.09 0.80 -0.38 2.37 5.75 -1.91 -0.01 115.11 121.82 3iml h GLN 68 Ca 0.03 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 3iml h GLN 68 Cb 0.04 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 3iml h GLN 68 CO -0.01 0.53 0.02 0.82 -2.65 0.00 0.00 178.83 177.54 3iml h ILE 69 N 0.83 1.25 -0.40 2.39 2.04 -1.23 0.21 117.51 122.60 3iml h ILE 69 Ca 0.34 -0.96 0.03 0.00 1.00 0.00 0.00 64.86 65.27 3iml h ILE 69 Cb 0.20 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3iml h ILE 69 CO -0.18 0.32 0.21 0.00 0.00 0.00 0.00 178.15 178.50 3iml h ALA 70 N 0.89 0.50 -0.50 1.87 0.00 -0.78 -1.04 119.26 120.19 3iml h ALA 70 Ca 0.11 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3iml h ALA 70 Cb 0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3iml h ALA 70 CO 0.02 -0.14 -0.13 0.00 0.00 0.00 0.00 179.25 179.00 3iml h ARG 71 N 0.43 0.97 -0.47 0.00 3.08 -0.74 -1.35 114.38 116.30 3iml h ARG 71 Ca 0.17 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3iml h ARG 71 Cb 0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3iml h ARG 71 CO -0.11 1.04 0.28 -0.44 -1.07 0.00 0.00 179.97 179.67 3iml h ASP 72 N 0.82 0.55 -0.07 7.04 3.45 -0.34 0.16 116.42 128.03 3iml h ASP 72 Ca 0.12 -0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.51 3iml h ASP 72 Cb 0.69 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 3iml h ASP 72 CO 0.05 0.43 -0.13 0.74 -1.57 0.00 0.00 179.24 178.76 3iml h THR 73 N 0.64 1.41 -0.67 0.35 2.02 -0.85 -1.58 112.91 114.23 3iml h THR 73 Ca 0.17 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.94 3iml h THR 73 Cb -0.02 2.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 3iml h THR 73 CO -0.03 0.39 0.43 0.40 0.37 0.00 0.00 175.52 177.09 3iml h ILE 74 N -0.26 1.18 0.20 3.11 2.04 -1.00 -1.99 117.51 120.78 3iml h ILE 74 Ca 0.00 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3iml h ILE 74 Cb 0.70 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3iml h ILE 74 CO 0.03 0.17 -0.09 0.50 0.00 0.00 0.00 178.15 178.76 3iml h LYS 75 N 0.91 -0.26 -0.90 2.37 3.64 -0.96 -2.75 116.57 118.63 3iml h LYS 75 Ca 0.24 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.79 3iml h LYS 75 Cb -0.09 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 31.70 3iml h LYS 75 CO -0.05 0.04 0.50 -0.09 -2.27 0.00 0.00 179.45 177.58 3iml h ARG 76 N -0.56 0.69 0.00 1.90 2.43 -1.06 -0.94 114.38 116.84 3iml h ARG 76 Ca -0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3iml h ARG 76 Cb 0.41 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3iml h ARG 76 CO 0.04 0.46 -0.09 0.82 -1.51 0.00 0.00 179.97 179.69 3iml h ILE 77 N 0.71 1.01 0.00 1.20 2.04 -1.36 -3.47 117.51 117.65 3iml h ILE 77 Ca 0.48 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 66.03 3iml h ILE 77 Cb 0.65 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3iml h ILE 77 CO -0.34 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.50 3iml n GLY 78 N -1.25 1.04 0.00 5.37 0.00 -0.36 -4.82 105.19 105.18 3iml n GLY 78 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3iml n GLY 78 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iml n TYR 79 N 0.00 0.00 -1.19 1.61 4.01 -1.05 -4.90 117.16 115.64 3iml n TYR 79 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 3iml n TYR 79 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 3iml n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iml n GLY 90 N 5.00 4.73 3.69 2.72 0.00 -1.26 -4.56 105.19 115.50 3iml n GLY 90 Ca 0.00 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3iml n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iml n ALA 92 N 5.63 1.69 -3.90 0.00 0.00 0.68 -4.87 120.51 119.74 3iml n ALA 92 Ca 0.16 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.69 3iml n ALA 92 Cb 0.40 -2.33 -0.17 0.00 0.00 0.00 0.00 19.45 17.35 3iml n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iml s VAL 93 N -0.66 1.44 -0.34 0.00 1.01 -1.26 -1.01 120.40 119.57 3iml s VAL 93 Ca 0.59 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 3iml s VAL 93 Cb -0.56 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.49 3iml s VAL 93 CO 0.57 0.44 0.15 -0.22 0.00 0.00 0.00 175.10 176.04 3iml s LEU 94 N 1.40 4.40 -0.34 3.92 2.96 0.08 -4.99 118.68 126.11 3iml s LEU 94 Ca 0.02 -0.94 -0.12 0.00 -0.22 0.00 0.00 54.13 52.87 3iml s LEU 94 Cb -0.13 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 3iml s LEU 94 CO -0.08 -0.32 0.23 -0.69 -1.32 0.00 0.00 176.35 174.17 3iml s VAL 95 N 1.51 5.19 -0.06 1.68 1.01 -1.26 -0.82 120.40 127.66 3iml s VAL 95 Ca 0.01 -0.24 0.14 0.00 0.00 0.00 0.00 61.98 61.89 3iml s VAL 95 Cb -0.19 -3.66 0.26 0.00 0.00 0.00 0.00 36.38 32.79 3iml s VAL 95 CO 0.05 0.00 1.12 0.00 0.00 0.00 0.00 175.10 176.27 3iml n ALA 96 N 5.09 2.45 -1.66 5.51 0.00 0.10 -4.99 120.51 127.02 3iml n ALA 96 Ca -0.13 -2.12 -0.42 0.00 0.00 0.00 0.00 53.44 50.77 3iml n ALA 96 Cb 0.50 -0.53 0.01 0.00 0.00 0.00 0.00 19.45 19.42 3iml n ALA 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iml n TYR 97 N -0.27 1.73 -2.95 0.00 4.01 -1.23 -4.38 117.16 114.07 3iml n TYR 97 Ca 0.08 0.55 -0.44 0.00 -0.16 0.00 0.00 57.90 57.93 3iml n TYR 97 Cb 0.84 -2.32 -0.04 0.00 -0.31 0.00 0.00 39.34 37.51 3iml n TYR 97 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3iml s ASP 98 N -0.58 6.24 -0.18 7.72 2.15 0.74 -4.93 116.67 127.82 3iml s ASP 98 Ca 0.61 -1.28 -0.01 0.00 0.43 0.00 0.00 52.55 52.29 3iml s ASP 98 Cb -0.55 -2.38 -0.00 0.00 -0.30 0.00 0.00 42.92 39.69 3iml s ASP 98 CO 0.58 -1.28 -0.11 -0.54 -0.17 0.00 0.00 175.17 173.65 3iml s LYS 99 N 3.40 3.26 0.00 4.34 3.01 -1.26 -1.68 119.74 130.82 3iml s LYS 99 Ca 0.20 -0.70 0.00 0.00 -1.01 0.00 0.00 55.97 54.45 3iml s LYS 99 Cb -0.18 -2.77 0.00 0.00 -1.01 0.00 0.00 37.83 33.87 3iml s LYS 99 CO 0.06 -0.08 0.00 1.04 0.51 0.00 0.00 175.35 176.88 3iml n GLN 100 N 4.38 0.00 -1.62 1.68 1.13 -0.51 -5.00 117.38 117.44 3iml n GLN 100 Ca -0.19 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 3iml n GLN 100 Cb 0.51 -0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 3iml n GLN 100 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3iml n GLN 123 N -1.32 -3.26 0.00 -1.09 0.00 -1.26 -3.51 117.38 106.93 3iml n GLN 123 Ca 0.00 2.39 0.00 0.00 0.00 0.00 0.00 57.00 59.39 3iml n GLN 123 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 30.24 27.39 3iml n GLN 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3iml n GLY 124 N -0.22 2.56 3.20 2.61 0.00 -1.26 -4.99 105.19 107.09 3iml n GLY 124 Ca 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 3iml n GLY 124 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3iml s LEU 125 N 0.00 2.22 -0.20 0.99 2.34 -1.26 -1.39 118.68 121.38 3iml s LEU 125 Ca 0.00 -0.56 -0.27 0.00 0.06 0.00 0.00 54.13 53.36 3iml s LEU 125 Cb 0.00 -0.72 0.09 0.00 -0.56 0.00 0.00 46.19 45.00 3iml s LEU 125 CO 0.00 0.04 0.83 0.00 -1.06 0.00 0.00 176.35 176.16 3iml s MET 126 N -1.45 0.78 0.30 1.48 0.23 0.12 -3.93 119.30 116.83 3iml s MET 126 Ca 0.03 0.57 0.10 0.00 -1.03 0.00 0.00 55.69 55.36 3iml s MET 126 Cb -0.09 0.37 -0.05 0.00 -1.53 0.00 0.00 34.83 33.53 3iml s MET 126 CO 0.02 -0.16 -0.05 -0.06 -2.03 0.00 0.00 175.02 172.74 3iml s PHE 127 N -0.31 2.53 0.14 3.16 0.08 -1.26 -0.93 117.98 121.39 3iml s PHE 127 Ca -0.02 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 56.76 3iml s PHE 127 Cb -0.03 -1.24 -0.04 0.00 -0.57 0.00 0.00 43.02 41.14 3iml s PHE 127 CO 0.02 0.60 -0.15 0.20 -0.10 0.00 0.00 175.22 175.78 3iml s GLY 128 N -3.64 1.19 -0.09 4.36 0.00 0.42 -4.73 107.32 104.82 3iml s GLY 128 Ca 0.32 -1.37 -0.23 0.00 0.00 0.00 0.00 44.72 43.44 3iml s GLY 128 CO 0.18 -1.43 0.54 -0.47 0.00 0.00 0.00 173.10 171.92 3iml s TYR 129 N -2.19 -0.51 0.09 1.90 5.04 -1.26 -0.52 117.35 119.90 3iml s TYR 129 Ca 0.12 1.02 -0.16 0.00 -2.44 0.00 0.00 57.07 55.61 3iml s TYR 129 Cb -0.05 0.26 0.03 0.00 0.35 0.00 0.00 41.96 42.55 3iml s TYR 129 CO 0.04 -0.44 0.38 0.00 -1.34 0.00 0.00 175.55 174.18 3iml s ALA 130 N -0.73 -0.87 0.22 3.97 0.00 -0.21 -4.74 121.76 119.41 3iml s ALA 130 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 51.96 51.66 3iml s ALA 130 Cb -0.03 0.55 0.04 0.00 0.00 0.00 0.00 23.12 23.69 3iml s ALA 130 CO 0.05 -0.56 0.70 0.00 0.00 0.00 0.00 175.76 175.95 3iml n ASP 132 N -0.42 0.64 0.24 0.00 2.03 0.17 -3.59 116.55 115.62 3iml n ASP 132 Ca -0.09 0.67 0.16 0.00 0.52 0.00 0.00 54.79 56.06 3iml n ASP 132 Cb 0.61 -0.80 0.79 0.00 -0.72 0.00 0.00 41.12 41.00 3iml n ASP 132 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3iml h GLU 133 N 0.00 0.00 -4.53 -0.67 5.08 -1.85 -3.42 114.58 109.19 3iml h GLU 133 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3iml h GLU 133 Cb 0.32 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.42 3iml h GLU 133 CO 0.00 0.00 -0.66 0.95 -1.00 0.00 0.00 179.01 178.30 3iml s THR 134 N -3.71 0.35 -0.55 1.13 -4.23 -1.22 -4.75 115.64 102.66 3iml s THR 134 Ca -0.01 -1.92 0.26 0.00 -1.18 0.00 0.00 61.69 58.84 3iml s THR 134 Cb 0.10 -1.94 0.29 0.00 1.34 0.00 0.00 72.50 72.28 3iml s THR 134 CO 0.38 -0.60 1.76 1.55 -0.54 0.00 0.00 174.62 177.17 3iml h PRO 135 N 2.87 0.00 -0.12 3.99 0.13 -1.92 -1.17 132.00 135.79 3iml h PRO 135 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3iml h PRO 135 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3iml h PRO 135 CO 0.62 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 3iml n GLU 136 N -2.40 1.42 -3.54 0.86 4.71 -1.26 -4.95 120.64 115.48 3iml n GLU 136 Ca 0.04 -0.64 -0.25 0.00 -0.01 0.00 0.00 57.16 56.30 3iml n GLU 136 Cb 0.36 -1.30 0.06 0.00 -1.01 0.00 0.00 31.44 29.56 3iml n GLU 136 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3iml n LEU 137 N -0.10 -3.15 -4.54 -4.62 4.77 -0.44 -4.75 117.00 104.17 3iml n LEU 137 Ca 0.13 -0.53 -0.28 0.00 -0.03 0.00 0.00 56.01 55.30 3iml n LEU 137 Cb 0.20 -2.96 -0.10 0.00 -2.33 0.00 0.00 43.42 38.23 3iml n LEU 137 CO 0.10 0.56 -0.44 -0.04 -1.33 0.00 0.00 177.39 176.23 3iml s MET 138 N -6.25 1.98 0.52 3.23 -1.94 -1.24 -2.28 119.30 113.32 3iml s MET 138 Ca 0.55 -1.18 -0.21 0.00 -1.71 0.00 0.00 55.69 53.14 3iml s MET 138 Cb -0.25 -2.18 -0.07 0.00 2.01 0.00 0.00 34.83 34.34 3iml s MET 138 CO 0.68 0.47 1.07 -2.30 -0.01 0.00 0.00 175.02 174.93 3iml n PRO 139 N 0.47 1.27 -0.01 2.03 -0.02 -1.26 -3.41 135.00 134.06 3iml n PRO 139 Ca -0.13 0.47 -0.12 0.00 -2.02 0.00 0.00 63.50 61.70 3iml n PRO 139 Cb 0.54 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.73 3iml n PRO 139 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iml h LEU 140 N 1.11 0.10 -0.71 2.45 5.85 -1.97 -2.91 115.31 119.24 3iml h LEU 140 Ca -0.48 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 3iml h LEU 140 Cb 1.34 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 3iml h LEU 140 CO 0.54 0.24 0.35 -0.65 -0.34 0.00 0.00 178.44 178.59 3iml h PRO 141 N -0.04 1.01 -0.40 5.25 0.11 -1.91 -0.28 132.00 135.74 3iml h PRO 141 Ca 0.02 -0.14 -0.12 0.00 0.11 0.00 0.00 66.00 65.87 3iml h PRO 141 Cb 0.17 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3iml h PRO 141 CO -0.00 0.79 -0.25 0.97 -0.21 0.00 0.00 178.00 179.29 3iml h ILE 142 N 0.98 1.27 -0.13 4.15 6.09 -1.86 -2.67 117.51 125.34 3iml h ILE 142 Ca 0.24 -1.38 -0.03 0.00 -1.37 0.00 0.00 64.86 62.32 3iml h ILE 142 Cb 0.10 1.23 -0.00 0.00 0.47 0.00 0.00 36.82 38.62 3iml h ILE 142 CO -0.03 0.46 -0.04 -0.74 -3.07 0.00 0.00 178.15 174.74 3iml h HIS 143 N 0.70 0.30 -0.41 2.19 2.76 -1.10 -0.94 115.15 118.65 3iml h HIS 143 Ca 0.09 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 3iml h HIS 143 Cb 0.78 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.65 3iml h HIS 143 CO 0.04 0.56 0.02 -0.07 -1.30 0.00 0.00 177.93 177.18 3iml h LEU 144 N -0.05 0.61 -0.61 0.26 3.38 -1.18 -0.91 115.31 116.81 3iml h LEU 144 Ca 0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3iml h LEU 144 Cb 0.46 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3iml h LEU 144 CO 0.01 0.67 0.32 0.28 0.09 0.00 0.00 178.44 179.81 3iml h SER 145 N 0.61 0.77 -0.34 -0.43 0.02 -1.25 -1.26 113.55 111.68 3iml h SER 145 Ca 0.13 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3iml h SER 145 Cb 0.36 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3iml h SER 145 CO 0.01 0.65 0.09 0.45 -1.14 0.00 0.00 176.83 176.89 3iml h HIS 146 N 0.83 0.55 -0.00 3.45 3.86 -0.91 -3.10 115.15 119.83 3iml h HIS 146 Ca 0.21 -0.06 -0.09 0.00 -1.16 0.00 0.00 60.37 59.27 3iml h HIS 146 Cb 0.06 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3iml h HIS 146 CO -0.01 0.56 -0.42 -0.09 0.86 0.00 0.00 177.93 178.84 3iml h ARG 147 N 0.39 0.01 -0.08 2.45 9.65 -0.85 -2.28 114.38 123.67 3iml h ARG 147 Ca 0.11 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.96 3iml h ARG 147 Cb 0.28 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.86 3iml h ARG 147 CO -0.00 0.42 -0.03 -0.07 2.80 0.00 0.00 179.97 183.10 3iml h LEU 148 N 0.01 0.17 -0.53 3.80 3.38 -1.16 0.29 115.31 121.25 3iml h LEU 148 Ca -0.00 -0.39 -0.16 0.00 0.09 0.00 0.00 57.88 57.42 3iml h LEU 148 Cb 0.74 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3iml h LEU 148 CO 0.05 0.52 -0.71 -0.37 0.09 0.00 0.00 178.44 178.02 3iml h VAL 149 N -0.18 1.45 -0.54 1.22 -1.51 -1.52 -1.74 116.25 113.43 3iml h VAL 149 Ca 0.02 -2.29 0.01 0.00 -1.23 0.00 0.00 66.70 63.20 3iml h VAL 149 Cb 0.45 2.23 -0.03 0.00 -2.13 0.00 0.00 31.29 31.81 3iml h VAL 149 CO 0.01 0.67 0.36 -0.08 -1.23 0.00 0.00 177.57 177.29 3iml h GLU 150 N 0.10 0.71 -0.67 5.19 4.81 -1.36 -1.93 114.58 121.43 3iml h GLU 150 Ca -0.02 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3iml h GLU 150 Cb 1.26 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 3iml h GLU 150 CO 0.10 0.47 0.44 -0.09 -0.73 0.00 0.00 179.01 179.20 3iml h ARG 151 N 0.73 0.85 -0.04 1.92 9.65 -0.65 -1.06 114.38 125.79 3iml h ARG 151 Ca 0.20 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 58.93 3iml h ARG 151 Cb -0.08 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.30 3iml h ARG 151 CO -0.05 0.56 -0.43 -0.56 2.80 0.00 0.00 179.97 182.30 3iml h GLN 152 N 0.88 0.08 -0.28 0.20 -0.00 -0.92 -1.14 115.11 113.92 3iml h GLN 152 Ca 0.26 -0.04 -0.10 0.00 -0.00 0.00 0.00 58.65 58.77 3iml h GLN 152 Cb -0.05 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.42 3iml h GLN 152 CO -0.08 0.49 -0.22 0.00 -0.00 0.00 0.00 178.83 179.03 3iml h ALA 153 N 1.50 0.41 -0.47 0.06 0.00 -1.05 0.30 119.26 120.01 3iml h ALA 153 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3iml h ALA 153 Cb 0.78 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3iml h ALA 153 CO 0.06 0.36 0.27 -0.91 0.00 0.00 0.00 179.25 179.03 3iml h ASN 154 N 0.38 0.58 -0.14 0.00 2.35 -0.96 0.31 115.58 118.10 3iml h ASN 154 Ca 0.05 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 3iml h ASN 154 Cb 0.77 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 3iml h ASN 154 CO 0.06 0.49 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.15 3iml h LEU 155 N 0.62 0.47 -0.51 1.61 4.07 -1.18 -1.09 115.31 119.30 3iml h LEU 155 Ca 0.17 -0.12 -0.06 0.00 0.08 0.00 0.00 57.88 57.95 3iml h LEU 155 Cb 0.03 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 3iml h LEU 155 CO -0.03 0.62 0.08 -0.09 -1.08 0.00 0.00 178.44 177.94 3iml h ARG 156 N 0.45 0.84 0.00 1.13 2.43 -0.57 -2.44 114.38 116.22 3iml h ARG 156 Ca 0.09 -0.23 -0.24 0.00 -0.81 0.00 0.00 59.98 58.79 3iml h ARG 156 Cb 0.47 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3iml h ARG 156 CO 0.03 0.83 -0.98 0.00 -1.51 0.00 0.00 179.97 178.34 3iml h ARG 157 N 0.72 0.51 -0.14 0.20 3.08 -0.41 -2.98 114.38 115.35 3iml h ARG 157 Ca 0.15 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3iml h ARG 157 Cb 0.40 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3iml h ARG 157 CO 0.01 1.18 0.00 -0.40 -1.07 0.00 0.00 179.97 179.69 3iml n ASP 158 N -3.78 1.47 -0.09 7.04 5.75 -0.46 -4.93 116.55 121.54 3iml n ASP 158 Ca -0.08 -1.67 -0.01 0.00 -0.01 0.00 0.00 54.79 53.01 3iml n ASP 158 Cb 0.85 -0.09 -0.01 0.00 -1.03 0.00 0.00 41.12 40.84 3iml n ASP 158 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iml n GLY 159 N 1.09 0.50 0.26 6.12 0.00 -1.13 -4.93 105.19 107.10 3iml n GLY 159 Ca 0.16 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 3iml n GLY 159 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3iml h ARG 160 N 0.55 0.81 -3.98 1.61 1.12 -1.72 -3.27 114.38 109.50 3iml h ARG 160 Ca -0.02 -0.05 -0.65 0.00 -1.11 0.00 0.00 59.98 58.14 3iml h ARG 160 Cb 0.18 -0.18 -0.40 0.00 -0.01 0.00 0.00 29.97 29.56 3iml h ARG 160 CO 0.04 0.54 -0.64 -0.51 -3.11 0.00 0.00 179.97 176.28 3iml s LEU 161 N -10.16 4.61 0.55 3.80 1.43 -1.18 -5.01 118.68 112.71 3iml s LEU 161 Ca -0.13 -2.61 0.33 0.00 -1.03 0.00 0.00 54.13 50.69 3iml s LEU 161 Cb 0.14 -1.66 1.41 0.00 0.03 0.00 0.00 46.19 46.11 3iml s LEU 161 CO 0.76 -0.32 2.00 1.55 0.23 0.00 0.00 176.35 180.58 3iml h PRO 162 N 7.06 0.00 -0.06 1.29 0.13 -1.86 -2.58 132.00 135.99 3iml h PRO 162 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3iml h PRO 162 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3iml h PRO 162 CO 0.62 0.03 0.00 -2.67 -0.23 0.00 0.00 178.00 175.76 3iml n TRP 163 N -3.16 0.07 -2.28 1.56 4.27 -1.26 -4.88 117.44 111.77 3iml n TRP 163 Ca 0.00 -0.04 -0.40 0.00 -3.89 0.00 0.00 57.50 53.18 3iml n TRP 163 Cb 0.30 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.22 3iml n TRP 163 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 3iml s LEU 164 N -1.75 4.40 0.42 5.67 1.43 -0.97 -0.09 118.68 127.79 3iml s LEU 164 Ca 0.35 2.46 0.07 0.00 -1.03 0.00 0.00 54.13 55.98 3iml s LEU 164 Cb 0.18 -3.75 -0.07 0.00 0.03 0.00 0.00 46.19 42.58 3iml s LEU 164 CO 0.29 -0.45 0.03 -0.13 0.23 0.00 0.00 176.35 176.31 3iml s ARG 165 N -1.83 2.00 0.26 1.70 0.52 -0.34 -4.78 118.95 116.49 3iml s ARG 165 Ca 0.50 -2.10 -0.04 0.00 -0.52 0.00 0.00 55.73 53.57 3iml s ARG 165 Cb -0.35 -1.67 0.32 0.00 0.52 0.00 0.00 34.95 33.78 3iml s ARG 165 CO 0.45 -0.08 1.84 -1.35 0.02 0.00 0.00 175.30 176.18 3iml h PRO 166 N 1.70 1.02 -6.74 3.54 0.11 -1.87 -3.40 132.00 126.35 3iml h PRO 166 Ca -0.44 -0.16 -0.51 0.00 0.11 0.00 0.00 66.00 65.00 3iml h PRO 166 Cb 1.25 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 32.19 3iml h PRO 166 CO 0.79 0.82 0.46 0.34 -0.21 0.00 0.00 178.00 180.20 3iml s ASP 167 N -6.44 7.31 -0.04 -2.05 -1.08 -1.26 -3.62 116.67 109.49 3iml s ASP 167 Ca -0.11 2.16 -0.29 0.00 -0.52 0.00 0.00 52.55 53.79 3iml s ASP 167 Cb 0.16 -2.62 0.10 0.00 -1.46 0.00 0.00 42.92 39.10 3iml s ASP 167 CO 0.81 -0.13 0.84 0.00 0.52 0.00 0.00 175.17 177.21 3iml s ALA 168 N -0.82 -1.82 0.01 3.66 0.00 -1.26 -0.73 121.76 120.80 3iml s ALA 168 Ca 0.46 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.62 3iml s ALA 168 Cb -0.30 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 3iml s ALA 168 CO 0.38 -0.51 -0.04 0.15 0.00 0.00 0.00 175.76 175.74 3iml s LYS 169 N -2.15 0.28 0.12 0.00 1.02 0.43 -0.58 119.74 118.86 3iml s LYS 169 Ca -0.01 -0.33 0.08 0.00 0.02 0.00 0.00 55.97 55.73 3iml s LYS 169 Cb -0.01 -0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.13 3iml s LYS 169 CO -0.02 0.03 -0.20 -1.54 -0.92 0.00 0.00 175.35 172.70 3iml s SER 170 N -0.67 2.52 -0.07 2.83 1.04 -0.20 -0.91 113.70 118.24 3iml s SER 170 Ca -0.05 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.61 3iml s SER 170 Cb -0.05 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 65.97 3iml s SER 170 CO -0.00 0.02 0.14 -1.58 0.98 0.00 0.00 173.24 172.80 3iml s GLN 171 N -2.19 0.08 -0.14 4.02 0.74 -0.56 -1.30 119.66 120.31 3iml s GLN 171 Ca 0.09 0.39 0.02 0.00 0.05 0.00 0.00 55.36 55.91 3iml s GLN 171 Cb -0.09 -0.19 0.01 0.00 1.10 0.00 0.00 33.01 33.84 3iml s GLN 171 CO 0.05 -0.18 -0.22 0.08 -0.55 0.00 0.00 175.29 174.47 3iml s VAL 172 N 1.28 2.05 -0.25 1.34 1.01 -0.64 -0.05 120.40 125.15 3iml s VAL 172 Ca -0.08 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 3iml s VAL 172 Cb -0.12 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3iml s VAL 172 CO -0.06 0.55 0.02 -0.89 0.00 0.00 0.00 175.10 174.72 3iml s THR 173 N 0.83 3.71 -0.07 3.92 2.01 -0.12 -1.72 115.64 124.20 3iml s THR 173 Ca -0.07 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.41 3iml s THR 173 Cb -0.15 -2.78 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 3iml s THR 173 CO -0.02 0.29 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.46 3iml s VAL 174 N 1.50 3.92 -0.18 3.82 1.01 0.41 -0.99 120.40 129.90 3iml s VAL 174 Ca 0.05 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 3iml s VAL 174 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3iml s VAL 174 CO -0.00 0.58 0.36 -0.60 0.00 0.00 0.00 175.10 175.44 3iml s ARG 175 N -0.90 4.22 -0.22 2.72 3.52 0.17 -0.72 118.95 127.75 3iml s ARG 175 Ca 0.13 0.18 -0.05 0.00 -0.13 0.00 0.00 55.73 55.86 3iml s ARG 175 Cb -0.11 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 3iml s ARG 175 CO 0.02 0.09 0.00 0.71 -0.81 0.00 0.00 175.30 175.32 3iml s TYR 176 N 0.91 3.02 -0.07 5.12 2.02 0.59 -0.87 117.35 128.07 3iml s TYR 176 Ca 0.19 -0.59 0.03 0.00 -0.37 0.00 0.00 57.07 56.32 3iml s TYR 176 Cb -0.14 -2.13 -0.02 0.00 -0.40 0.00 0.00 41.96 39.27 3iml s TYR 176 CO 0.07 -0.36 -0.16 0.54 -1.57 0.00 0.00 175.55 174.06 3iml s VAL 177 N 1.29 2.83 -1.65 0.71 0.11 -0.31 -0.71 120.40 122.66 3iml s VAL 177 Ca 0.04 -0.78 -0.16 0.00 -2.93 0.00 0.00 61.98 58.15 3iml s VAL 177 Cb -0.15 -2.12 0.13 0.00 -1.53 0.00 0.00 36.38 32.72 3iml s VAL 177 CO 0.01 0.57 0.75 -0.90 -3.33 0.00 0.00 175.10 172.19 3iml n ASP 178 N 2.81 -3.01 0.00 3.54 5.75 -1.26 -1.30 116.55 123.08 3iml n ASP 178 Ca -0.17 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 3iml n ASP 178 Cb 0.52 -2.87 0.00 0.00 -1.03 0.00 0.00 41.12 37.74 3iml n ASP 178 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iml n GLY 179 N -1.51 1.92 3.58 6.12 0.00 -1.26 -5.00 105.19 109.04 3iml n GLY 179 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3iml n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iml s LYS 180 N -0.06 2.20 0.06 1.61 0.00 -0.42 -5.05 119.74 118.08 3iml s LYS 180 Ca 0.00 -0.98 -0.35 0.00 0.00 0.00 0.00 55.97 54.64 3iml s LYS 180 Cb 0.00 -2.34 -0.14 0.00 0.00 0.00 0.00 37.83 35.35 3iml s LYS 180 CO 0.00 0.52 1.58 -2.30 0.00 0.00 0.00 175.35 175.15 3iml n PRO 181 N 0.80 1.81 -0.04 1.78 -0.02 -1.26 -1.16 135.00 136.90 3iml n PRO 181 Ca -0.13 0.66 -0.09 0.00 -2.02 0.00 0.00 63.50 61.92 3iml n PRO 181 Cb 0.52 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 3iml n PRO 181 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3iml n HIS 182 N 3.89 0.00 -3.54 6.00 -0.00 -0.05 -4.84 115.22 116.69 3iml n HIS 182 Ca 0.19 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.24 3iml n HIS 182 Cb 0.25 -0.29 -0.04 0.00 -0.12 0.00 0.00 29.99 29.79 3iml n HIS 182 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 3iml s SER 183 N -5.69 -0.46 -0.39 0.26 1.04 -1.15 -4.60 113.70 102.72 3iml s SER 183 Ca -0.11 0.08 -0.20 0.00 0.48 0.00 0.00 55.95 56.20 3iml s SER 183 Cb 0.04 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.69 3iml s SER 183 CO 0.14 -0.80 0.63 -0.63 0.98 0.00 0.00 173.24 173.56 3iml s ILE 184 N -2.94 4.87 -0.10 -1.02 1.01 -0.09 -0.65 121.20 122.29 3iml s ILE 184 Ca -0.03 0.39 -0.15 0.00 0.00 0.00 0.00 60.65 60.86 3iml s ILE 184 Cb -0.00 -4.12 -0.13 0.00 0.01 0.00 0.00 42.46 38.22 3iml s ILE 184 CO -0.06 -0.41 0.51 -0.78 0.00 0.00 0.00 174.94 174.20 3iml h ASP 185 N 8.62 -0.07 -3.93 3.58 3.58 -1.40 -3.40 116.42 123.40 3iml h ASP 185 Ca -0.26 -0.40 -0.27 0.00 0.42 0.00 0.00 57.03 56.51 3iml h ASP 185 Cb 1.11 0.02 -0.27 0.00 1.72 0.00 0.00 39.33 41.90 3iml h ASP 185 CO 0.85 0.59 -0.74 -0.89 -2.88 0.00 0.00 179.24 176.18 3iml s THR 186 N -2.35 0.22 -0.17 2.25 2.01 -1.08 -1.65 115.64 114.87 3iml s THR 186 Ca -0.10 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 61.71 3iml s THR 186 Cb -0.01 -0.21 0.02 0.00 0.01 0.00 0.00 72.50 72.31 3iml s THR 186 CO 0.35 0.01 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.40 3iml s VAL 187 N -0.20 2.12 -0.13 3.82 1.01 -0.81 -0.95 120.40 125.26 3iml s VAL 187 Ca -0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 3iml s VAL 187 Cb -0.02 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 3iml s VAL 187 CO -0.00 0.54 0.20 -0.69 0.00 0.00 0.00 175.10 175.15 3iml s VAL 188 N 1.13 5.38 -0.16 2.92 1.01 0.93 -1.01 120.40 130.60 3iml s VAL 188 Ca 0.01 0.35 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 3iml s VAL 188 Cb -0.14 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.80 3iml s VAL 188 CO -0.09 0.52 0.11 -0.22 0.00 0.00 0.00 175.10 175.42 3iml s LEU 189 N -0.39 0.25 -0.24 3.92 0.20 0.13 -1.50 118.68 121.05 3iml s LEU 189 Ca 0.15 -0.47 -0.07 0.00 0.69 0.00 0.00 54.13 54.43 3iml s LEU 189 Cb -0.13 -0.13 -0.03 0.00 -0.43 0.00 0.00 46.19 45.47 3iml s LEU 189 CO 0.04 -0.34 0.05 -0.44 -0.29 0.00 0.00 176.35 175.37 3iml s SER 190 N 2.17 4.99 -0.00 3.68 0.01 -0.09 -1.17 113.70 123.29 3iml s SER 190 Ca 0.03 -0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.12 3iml s SER 190 Cb -0.16 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.17 3iml s SER 190 CO -0.09 -0.02 -0.19 0.28 0.41 0.00 0.00 173.24 173.64 3iml s THR 191 N 1.49 1.49 0.60 1.44 -1.32 -1.26 -0.43 115.64 117.64 3iml s THR 191 Ca 0.06 -0.87 -0.18 0.00 -1.21 0.00 0.00 61.69 59.49 3iml s THR 191 Cb -0.15 -1.25 -0.03 0.00 -1.51 0.00 0.00 72.50 69.56 3iml s THR 191 CO 0.02 0.36 1.13 -1.58 -2.21 0.00 0.00 174.62 172.35 3iml s GLN 192 N -0.59 3.07 0.14 7.08 0.74 0.09 -4.67 119.66 125.52 3iml s GLN 192 Ca 0.07 1.56 -0.24 0.00 0.05 0.00 0.00 55.36 56.80 3iml s GLN 192 Cb -0.07 -1.97 0.07 0.00 1.10 0.00 0.00 33.01 32.13 3iml s GLN 192 CO -0.00 -1.07 0.67 -3.38 -0.55 0.00 0.00 175.29 170.96 3iml s HIS 193 N -1.97 -0.45 0.65 1.67 -3.43 -0.31 -1.19 115.29 110.25 3iml s HIS 193 Ca 0.71 0.23 -0.17 0.00 -0.80 0.00 0.00 55.06 55.03 3iml s HIS 193 Cb -0.23 0.58 -0.00 0.00 -1.43 0.00 0.00 32.58 31.49 3iml s HIS 193 CO 0.33 -0.84 1.18 0.00 -2.00 0.00 0.00 174.74 173.42 3iml s ALA 194 N -3.65 2.39 0.05 -1.38 0.00 0.86 -4.23 121.76 115.81 3iml s ALA 194 Ca 0.03 0.87 0.32 0.00 0.00 0.00 0.00 51.96 53.18 3iml s ALA 194 Cb -0.02 -3.43 1.52 0.00 0.00 0.00 0.00 23.12 21.20 3iml s ALA 194 CO -0.10 -1.41 1.96 -1.00 0.00 0.00 0.00 175.76 175.22 3iml h PRO 195 N 0.33 0.00 -0.09 0.00 0.13 -1.91 -3.28 132.00 127.18 3iml h PRO 195 Ca -0.49 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 3iml h PRO 195 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 3iml h PRO 195 CO 0.53 0.00 -0.58 0.93 -0.23 0.00 0.00 178.00 178.65 3iml h GLU 196 N 0.00 0.28 -6.47 0.86 3.07 -1.97 -3.44 114.58 106.92 3iml h GLU 196 Ca 0.00 -0.19 -0.53 0.00 -0.50 0.00 0.00 59.36 58.14 3iml h GLU 196 Cb 0.24 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 3iml h GLU 196 CO 0.00 0.78 0.23 -1.50 -1.40 0.00 0.00 179.01 177.13 3iml s ILE 197 N -3.82 4.52 0.30 3.13 1.10 -1.24 -5.05 121.20 120.13 3iml s ILE 197 Ca -0.04 1.80 -0.24 0.00 -0.51 0.00 0.00 60.65 61.66 3iml s ILE 197 Cb 0.12 -4.19 -0.09 0.00 0.15 0.00 0.00 42.46 38.44 3iml s ILE 197 CO 0.80 0.41 0.87 1.51 -2.11 0.00 0.00 174.94 176.42 3iml s ASP 198 N -0.44 7.22 0.19 4.50 3.84 -1.26 -4.95 116.67 125.77 3iml s ASP 198 Ca 0.40 1.69 -0.14 0.00 -0.00 0.00 0.00 52.55 54.50 3iml s ASP 198 Cb -0.22 -2.52 0.19 0.00 -1.38 0.00 0.00 42.92 38.98 3iml s ASP 198 CO 0.26 -0.05 1.68 -0.07 -0.00 0.00 0.00 175.17 176.99 3iml h LEU 199 N 3.16 -0.20 -0.51 2.11 3.38 -1.98 -1.38 115.31 119.89 3iml h LEU 199 Ca -0.47 0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.66 3iml h LEU 199 Cb 1.19 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.10 3iml h LEU 199 CO 0.65 -0.07 0.25 -0.65 0.09 0.00 0.00 178.44 178.71 3iml h PRO 200 N 0.12 0.46 0.00 1.13 0.11 -2.00 -0.13 132.00 131.70 3iml h PRO 200 Ca 0.25 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.25 3iml h PRO 200 Cb 0.38 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3iml h PRO 200 CO -0.41 0.31 -0.40 0.00 -0.21 0.00 0.00 178.00 177.29 3iml h ALA 201 N 1.29 1.32 -0.22 -0.75 0.00 -1.90 -2.47 119.26 116.54 3iml h ALA 201 Ca 0.23 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3iml h ALA 201 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3iml h ALA 201 CO -0.17 0.50 0.03 1.25 0.00 0.00 0.00 179.25 180.85 3iml h LEU 202 N 0.00 0.36 -0.34 0.00 6.46 -0.40 -2.50 115.31 118.89 3iml h LEU 202 Ca -0.00 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.47 3iml h LEU 202 Cb 0.72 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 3iml h LEU 202 CO 0.05 0.54 0.15 0.03 -0.62 0.00 0.00 178.44 178.59 3iml h ARG 203 N 0.16 0.50 -0.35 1.25 3.08 -0.88 -0.78 114.38 117.35 3iml h ARG 203 Ca 0.07 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.06 3iml h ARG 203 Cb 0.34 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3iml h ARG 203 CO 0.01 0.48 0.17 0.93 -1.07 0.00 0.00 179.97 180.48 3iml h GLU 204 N 0.40 0.34 -0.50 0.04 5.08 -1.49 -0.49 114.58 117.96 3iml h GLU 204 Ca 0.11 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 3iml h GLU 204 Cb 0.16 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3iml h GLU 204 CO -0.01 0.23 -0.10 0.00 -1.00 0.00 0.00 179.01 178.13 3iml h ALA 205 N 1.19 0.88 -0.39 3.43 0.00 -1.27 -0.70 119.26 122.39 3iml h ALA 205 Ca 0.15 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3iml h ALA 205 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3iml h ALA 205 CO -0.11 0.64 -0.27 0.28 0.00 0.00 0.00 179.25 179.79 3iml h VAL 206 N 0.83 1.28 0.11 0.00 2.07 -0.97 0.11 116.25 119.68 3iml h VAL 206 Ca 0.14 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 3iml h VAL 206 Cb 0.63 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3iml h VAL 206 CO 0.04 0.48 -0.05 0.40 0.02 0.00 0.00 177.57 178.46 3iml h ILE 207 N 0.68 0.92 -0.22 4.57 2.04 -0.95 -1.03 117.51 123.53 3iml h ILE 207 Ca 0.08 -0.09 -0.16 0.00 1.00 0.00 0.00 64.86 65.69 3iml h ILE 207 Cb 0.84 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3iml h ILE 207 CO 0.07 0.02 -0.51 -0.08 0.00 0.00 0.00 178.15 177.66 3iml h GLU 208 N -0.19 0.60 0.00 2.37 4.81 -1.02 -1.31 114.58 119.85 3iml h GLU 208 Ca -0.01 -0.36 -0.36 0.00 -0.13 0.00 0.00 59.36 58.50 3iml h GLU 208 Cb 0.15 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.49 3iml h GLU 208 CO 0.02 0.96 -2.35 0.39 -0.73 0.00 0.00 179.01 177.31 3iml n GLU 209 N -3.98 0.79 -0.13 1.92 -0.58 0.39 -4.37 120.64 114.67 3iml n GLU 209 Ca -0.03 0.02 -0.26 0.00 -0.42 0.00 0.00 57.16 56.47 3iml n GLU 209 Cb 0.58 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.86 3iml n GLU 209 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3iml n VAL 210 N -2.83 1.42 -0.04 2.62 0.31 -0.48 -4.69 118.33 114.63 3iml n VAL 210 Ca -0.34 -0.39 -0.00 0.00 -0.01 0.00 0.00 64.34 63.59 3iml n VAL 210 Cb 1.09 -1.78 -0.00 0.00 -0.91 0.00 0.00 33.84 32.25 3iml n VAL 210 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3iml h ILE 211 N -0.78 0.00 -0.81 2.52 2.04 -1.28 -3.35 117.51 115.84 3iml h ILE 211 Ca -0.64 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 3iml h ILE 211 Cb 1.62 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 3iml h ILE 211 CO -0.35 0.00 0.51 0.11 0.00 0.00 0.00 178.15 178.42 3iml h LYS 212 N -0.88 1.09 0.00 2.37 1.57 -1.44 -2.07 116.57 117.21 3iml h LYS 212 Ca 0.00 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3iml h LYS 212 Cb 0.02 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 3iml h LYS 212 CO 0.00 0.75 -0.04 -1.35 -0.57 0.00 0.00 179.45 178.24 3iml h PRO 213 N 1.12 0.00 0.00 3.15 0.11 -1.78 -2.84 132.00 131.76 3iml h PRO 213 Ca 0.29 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.32 3iml h PRO 213 Cb -0.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 3iml h PRO 213 CO -0.06 0.04 -0.41 1.15 -0.21 0.00 0.00 178.00 178.51 3iml h THR 214 N 0.00 0.72 -3.34 -1.15 2.02 -1.51 -3.46 112.91 106.19 3iml h THR 214 Ca -0.00 -1.96 -0.57 0.00 0.77 0.00 0.00 66.41 64.65 3iml h THR 214 Cb 0.63 2.31 -0.06 0.00 -1.74 0.00 0.00 68.15 69.29 3iml h THR 214 CO 0.01 0.40 0.27 -0.76 0.37 0.00 0.00 175.52 175.81 3iml s LEU 215 N -6.46 4.23 0.03 2.58 1.02 -1.07 -5.01 118.68 114.00 3iml s LEU 215 Ca 0.04 1.19 -0.33 0.00 0.02 0.00 0.00 54.13 55.05 3iml s LEU 215 Cb 0.07 -3.19 -0.12 0.00 0.02 0.00 0.00 46.19 42.98 3iml s LEU 215 CO 0.73 -0.29 1.80 -2.65 0.02 0.00 0.00 176.35 175.95 3iml n PRO 216 N 4.66 2.35 -0.31 1.29 -0.02 -1.26 -4.85 135.00 136.85 3iml n PRO 216 Ca 0.02 0.86 0.16 0.00 -2.02 0.00 0.00 63.50 62.52 3iml n PRO 216 Cb 0.50 -2.70 0.35 0.00 -0.02 0.00 0.00 33.50 31.63 3iml n PRO 216 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iml h ALA 217 N 8.27 1.55 -0.10 3.55 0.00 -1.95 -2.00 119.26 128.59 3iml h ALA 217 Ca -0.47 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3iml h ALA 217 Cb 1.25 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3iml h ALA 217 CO 0.93 -0.42 0.05 -0.44 0.00 0.00 0.00 179.25 179.37 3iml h ASP 218 N 0.35 0.12 -0.08 0.00 3.32 -1.98 -2.31 116.42 115.83 3iml h ASP 218 Ca 0.61 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.65 3iml h ASP 218 Cb 1.24 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3iml h ASP 218 CO -0.57 0.10 0.00 0.18 -1.72 0.00 0.00 179.24 177.23 3iml n LEU 219 N -4.50 2.00 -4.52 1.55 4.77 -0.75 -4.77 117.00 110.77 3iml n LEU 219 Ca -0.01 -0.72 -0.43 0.00 -0.03 0.00 0.00 56.01 54.82 3iml n LEU 219 Cb 0.10 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3iml n LEU 219 CO 0.35 0.36 0.82 -0.63 -1.33 0.00 0.00 177.39 176.95 3iml s ILE 220 N -1.92 4.30 0.45 -0.08 1.01 -0.87 -0.91 121.20 123.17 3iml s ILE 220 Ca 0.35 0.31 0.06 0.00 0.00 0.00 0.00 60.65 61.37 3iml s ILE 220 Cb 0.20 -4.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 3iml s ILE 220 CO 0.31 -1.21 0.13 -0.54 0.00 0.00 0.00 174.94 173.62 3iml s LYS 221 N 4.18 2.15 0.45 2.79 -0.14 -1.26 -5.04 119.74 122.87 3iml s LYS 221 Ca 0.32 -2.04 0.21 0.00 -1.36 0.00 0.00 55.97 53.09 3iml s LYS 221 Cb -0.12 -1.82 1.19 0.00 -1.68 0.00 0.00 37.83 35.40 3iml s LYS 221 CO 0.19 -0.20 1.87 0.78 -0.76 0.00 0.00 175.35 177.23 3iml h GLY 222 N 1.43 0.64 -1.28 -3.33 0.00 -1.98 -2.53 103.07 96.01 3iml h GLY 222 Ca -0.43 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3iml h GLY 222 CO 0.72 -0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.35 3iml n ASP 223 N -4.45 1.71 -4.68 0.19 5.68 -1.26 -4.91 116.55 108.83 3iml n ASP 223 Ca 0.18 -2.15 -0.42 0.00 -0.50 0.00 0.00 54.79 51.90 3iml n ASP 223 Cb 0.74 -0.41 -0.03 0.00 -1.14 0.00 0.00 41.12 40.29 3iml n ASP 223 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 3iml s ILE 224 N -1.52 4.39 -0.18 2.12 2.07 -0.96 -4.87 121.20 122.25 3iml s ILE 224 Ca 0.12 1.69 -0.08 0.00 -1.41 0.00 0.00 60.65 60.97 3iml s ILE 224 Cb 0.08 -4.09 -0.04 0.00 0.13 0.00 0.00 42.46 38.54 3iml s ILE 224 CO 0.05 -0.02 0.08 -0.54 -1.91 0.00 0.00 174.94 172.60 3iml s LYS 225 N 2.33 3.99 -0.20 3.50 3.01 -0.66 -5.03 119.74 126.68 3iml s LYS 225 Ca 0.54 -0.31 -0.06 0.00 -1.01 0.00 0.00 55.97 55.13 3iml s LYS 225 Cb -0.23 -3.25 -0.03 0.00 -1.01 0.00 0.00 37.83 33.31 3iml s LYS 225 CO 0.20 0.31 0.02 -0.06 0.51 0.00 0.00 175.35 176.32 3iml s PHE 226 N 0.29 3.09 -0.36 3.18 0.08 -1.26 -1.93 117.98 121.07 3iml s PHE 226 Ca 0.05 -0.31 0.04 0.00 0.12 0.00 0.00 56.93 56.83 3iml s PHE 226 Cb -0.12 -2.08 0.10 0.00 -0.57 0.00 0.00 43.02 40.35 3iml s PHE 226 CO -0.00 -0.13 0.07 -0.51 -0.10 0.00 0.00 175.22 174.54 3iml s LEU 227 N 0.84 4.71 -0.21 -0.37 1.43 -0.18 -5.00 118.68 119.90 3iml s LEU 227 Ca 0.01 -2.23 -0.07 0.00 -1.03 0.00 0.00 54.13 50.81 3iml s LEU 227 Cb -0.14 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3iml s LEU 227 CO 0.02 -0.37 0.06 -0.69 0.23 0.00 0.00 176.35 175.61 3iml s VAL 228 N 0.80 4.57 -1.22 -1.59 1.01 -1.26 0.18 120.40 122.89 3iml s VAL 228 Ca 0.12 -0.10 -0.34 0.00 0.00 0.00 0.00 61.98 61.65 3iml s VAL 228 Cb -0.20 -3.09 0.05 0.00 0.00 0.00 0.00 36.38 33.14 3iml s VAL 228 CO -0.07 0.41 0.68 0.59 0.00 0.00 0.00 175.10 176.70 3iml n ASN 229 N 4.10 -4.10 0.28 3.32 4.13 -0.32 -4.84 115.26 117.84 3iml n ASN 229 Ca -0.16 -1.30 0.12 0.00 1.68 0.00 0.00 54.58 54.92 3iml n ASN 229 Cb 0.52 -1.70 0.80 0.00 -1.54 0.00 0.00 39.78 37.86 3iml n ASN 229 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 3iml h PRO 230 N -2.63 0.00 -0.80 3.52 0.13 -1.86 -0.41 132.00 129.95 3iml h PRO 230 Ca -0.72 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.21 3iml h PRO 230 Cb 1.41 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.41 3iml h PRO 230 CO 0.52 0.03 0.26 0.25 -0.23 0.00 0.00 178.00 178.83 3iml n THR 231 N -4.04 2.68 -3.62 1.56 -2.24 -1.26 -5.06 114.28 102.30 3iml n THR 231 Ca -0.03 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 3iml n THR 231 Cb 0.11 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 3iml n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iml n GLY 232 N -0.13 0.42 3.69 3.38 0.00 -0.16 -4.92 105.19 107.48 3iml n GLY 232 Ca 0.37 -0.89 -0.44 0.00 0.00 0.00 0.00 46.02 45.06 3iml n GLY 232 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3iml n ARG 233 N 12.07 2.29 -3.20 1.61 0.00 -1.26 -4.85 116.66 123.32 3iml n ARG 233 Ca 0.00 0.82 -0.24 0.00 -0.00 0.00 0.00 57.85 58.43 3iml n ARG 233 Cb 0.00 -2.55 -0.07 0.00 -0.00 0.00 0.00 32.46 29.84 3iml n ARG 233 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3iml n PHE 234 N 2.52 -0.39 0.02 2.89 7.35 -1.26 -4.95 117.46 123.64 3iml n PHE 234 Ca 0.13 -3.55 -0.22 0.00 -0.76 0.00 0.00 57.45 53.05 3iml n PHE 234 Cb 0.32 -0.32 -0.14 0.00 0.35 0.00 0.00 39.48 39.69 3iml n PHE 234 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3iml h VAL 235 N 2.12 0.80 -3.38 -2.13 2.07 -1.91 -0.81 116.25 113.01 3iml h VAL 235 Ca 0.08 -2.38 -0.64 0.00 0.82 0.00 0.00 66.70 64.57 3iml h VAL 235 Cb 0.88 2.59 -0.23 0.00 -1.52 0.00 0.00 31.29 33.01 3iml h VAL 235 CO 0.46 0.81 -0.68 -0.51 0.02 0.00 0.00 177.57 177.67 3iml s ILE 236 N -2.53 3.82 0.06 4.57 2.07 -1.26 -4.51 121.20 123.41 3iml s ILE 236 Ca -0.21 -0.37 -0.00 0.00 -1.41 0.00 0.00 60.65 58.66 3iml s ILE 236 Cb 0.06 -2.70 0.00 0.00 0.13 0.00 0.00 42.46 39.95 3iml s ILE 236 CO 0.78 0.45 0.09 0.61 -1.91 0.00 0.00 174.94 174.96 3iml n GLY 237 N 4.03 2.93 7.00 1.50 0.00 -1.26 -4.73 105.19 114.66 3iml n GLY 237 Ca -0.17 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3iml n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iml n GLY 238 N -0.10 -1.24 0.45 -0.02 0.00 -1.26 -3.60 105.19 99.42 3iml n GLY 238 Ca 0.00 -1.22 0.26 0.00 0.00 0.00 0.00 46.02 45.06 3iml n GLY 238 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iml h PRO 239 N 0.00 0.16 -0.35 1.61 0.11 -1.84 -0.63 132.00 131.05 3iml h PRO 239 Ca 0.00 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.20 3iml h PRO 239 Cb 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3iml h PRO 239 CO 0.00 0.10 0.27 1.96 -0.21 0.00 0.00 178.00 180.12 3iml h GLN 240 N 0.16 0.00 0.00 1.05 7.50 -1.75 -2.40 115.11 119.67 3iml h GLN 240 Ca 0.48 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.63 3iml h GLN 240 Cb 1.60 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.13 3iml h GLN 240 CO -0.09 0.00 -0.11 0.41 -1.50 0.00 0.00 178.83 177.54 3iml n GLY 241 N -1.59 -0.59 3.50 3.46 0.00 -0.28 -4.71 105.19 104.99 3iml n GLY 241 Ca 0.06 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3iml n GLY 241 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iml s ASP 242 N -3.99 3.88 0.24 1.61 1.11 -1.00 -4.93 116.67 113.57 3iml s ASP 242 Ca -0.03 -0.72 -0.30 0.00 0.18 0.00 0.00 52.55 51.68 3iml s ASP 242 Cb 0.00 -0.50 -0.09 0.00 1.07 0.00 0.00 42.92 43.40 3iml s ASP 242 CO 0.05 0.11 1.21 0.00 1.18 0.00 0.00 175.17 177.72 3iml s GLY 244 N -0.19 1.54 0.13 0.00 0.00 0.01 -4.66 107.32 104.15 3iml s GLY 244 Ca 0.51 -1.09 0.08 0.00 0.00 0.00 0.00 44.72 44.22 3iml s GLY 244 CO 0.41 -0.94 -0.19 1.08 0.00 0.00 0.00 173.10 173.46 3iml s LEU 245 N -1.10 2.37 0.36 0.66 1.02 -1.26 -1.33 118.68 119.39 3iml s LEU 245 Ca 0.13 -0.77 -0.28 0.00 0.02 0.00 0.00 54.13 53.23 3iml s LEU 245 Cb -0.11 -0.84 -0.11 0.00 0.02 0.00 0.00 46.19 45.16 3iml s LEU 245 CO 0.03 0.01 1.50 -0.89 0.02 0.00 0.00 176.35 177.02 3iml s THR 246 N -1.60 2.06 -0.85 5.49 2.01 -0.77 -3.70 115.64 118.27 3iml s THR 246 Ca 0.10 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 3iml s THR 246 Cb -0.08 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.40 3iml s THR 246 CO 0.05 0.01 0.11 0.61 -0.69 0.00 0.00 174.62 174.72 3iml n GLY 247 N 0.71 -0.01 0.63 4.40 0.00 -1.26 -4.92 105.19 104.74 3iml n GLY 247 Ca 0.02 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.70 3iml n GLY 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iml n ARG 248 N -2.14 2.84 -2.45 1.61 5.12 -1.24 -4.55 116.66 115.85 3iml n ARG 248 Ca -0.10 -2.24 -0.20 0.00 -1.93 0.00 0.00 57.85 53.38 3iml n ARG 248 Cb 0.58 -1.41 0.02 0.00 -1.16 0.00 0.00 32.46 30.48 3iml n ARG 248 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3iml n LYS 249 N 0.05 2.80 0.20 5.56 4.76 -1.26 -4.91 118.16 125.36 3iml n LYS 249 Ca 0.13 -4.06 0.06 0.00 -2.87 0.00 0.00 58.31 51.58 3iml n LYS 249 Cb 0.55 -1.97 0.39 0.00 -1.84 0.00 0.00 35.03 32.15 3iml n LYS 249 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 3iml h ILE 250 N 2.90 0.87 0.13 -0.18 3.07 -1.96 0.13 117.51 122.47 3iml h ILE 250 Ca 0.18 -1.37 -0.30 0.00 1.55 0.00 0.00 64.86 64.92 3iml h ILE 250 Cb 1.15 1.83 -0.00 0.00 -0.27 0.00 0.00 36.82 39.53 3iml h ILE 250 CO 0.68 0.33 -1.48 0.40 -1.05 0.00 0.00 178.15 177.03 3iml h ILE 251 N 0.00 1.22 -0.86 0.16 1.08 -1.98 -3.11 117.51 114.02 3iml h ILE 251 Ca -0.00 -2.83 -0.02 0.00 -0.39 0.00 0.00 64.86 61.61 3iml h ILE 251 Cb 0.81 2.81 -0.04 0.00 -3.07 0.00 0.00 36.82 37.32 3iml h ILE 251 CO 0.04 0.83 0.46 0.58 -0.69 0.00 0.00 178.15 179.37 3iml h VAL 252 N 0.07 1.25 0.00 1.67 2.07 -1.81 0.14 116.25 119.65 3iml h VAL 252 Ca -0.23 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3iml h VAL 252 Cb 2.02 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3iml h VAL 252 CO 0.18 0.29 0.00 0.44 0.02 0.00 0.00 177.57 178.50 3iml h ASP 253 N 1.21 0.00 0.00 0.57 3.32 -0.94 -3.41 116.42 117.17 3iml h ASP 253 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3iml h ASP 253 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3iml h ASP 253 CO -0.05 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.82 3iml n THR 254 N -2.88 0.00 -0.50 0.35 -2.24 -1.09 -1.57 114.28 106.34 3iml n THR 254 Ca -0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 3iml n THR 254 Cb 0.18 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.49 3iml n THR 254 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3iml n TYR 255 N 0.00 0.09 -3.42 4.78 4.01 -1.19 -4.66 117.16 116.76 3iml n TYR 255 Ca 0.00 -0.73 -0.24 0.00 -0.16 0.00 0.00 57.90 56.78 3iml n TYR 255 Cb 0.00 -0.10 -0.01 0.00 -0.31 0.00 0.00 39.34 38.92 3iml n TYR 255 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iml n GLY 256 N -0.82 -0.48 1.31 2.72 0.00 0.47 -1.35 105.19 107.04 3iml n GLY 256 Ca 0.09 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3iml n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iml n GLY 257 N -1.15 0.72 0.18 -0.02 0.00 -1.26 -4.48 105.19 99.18 3iml n GLY 257 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3iml n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iml h ALA 258 N 0.00 1.00 -2.53 4.61 0.00 -1.61 -3.45 119.26 117.29 3iml h ALA 258 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3iml h ALA 258 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.62 3iml h ALA 258 CO 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 179.25 178.55 3iml s ALA 259 N -3.24 0.67 0.69 0.00 0.00 -1.26 -5.13 121.76 113.49 3iml s ALA 259 Ca 0.07 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 3iml s ALA 259 Cb 0.08 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.36 3iml s ALA 259 CO 0.61 -0.21 1.03 -2.30 0.00 0.00 0.00 175.76 174.88 3iml n PRO 260 N 0.52 0.67 -5.00 0.00 -0.02 -1.26 -4.94 135.00 124.96 3iml n PRO 260 Ca -0.16 0.28 -0.27 0.00 -2.02 0.00 0.00 63.50 61.33 3iml n PRO 260 Cb 0.59 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.64 3iml n PRO 260 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3iml s HIS 261 N -1.70 1.85 0.04 6.00 2.46 -1.26 -4.70 115.29 117.98 3iml s HIS 261 Ca 0.76 -0.37 -0.09 0.00 0.47 0.00 0.00 55.06 55.83 3iml s HIS 261 Cb -0.36 -1.20 -0.31 0.00 -0.13 0.00 0.00 32.58 30.58 3iml s HIS 261 CO 0.48 -0.05 1.02 0.78 -2.47 0.00 0.00 174.74 174.50 3iml h GLY 262 N 5.69 0.44 0.00 1.59 0.00 -1.92 -3.49 103.07 105.37 3iml h GLY 262 Ca -0.38 -1.12 0.00 0.00 0.00 0.00 0.00 47.33 45.83 3iml h GLY 262 CO 0.48 0.98 0.00 0.61 0.00 0.00 0.00 176.54 178.61 3iml n GLY 263 N 1.64 0.85 3.80 4.60 0.00 -1.25 -4.62 105.19 110.20 3iml n GLY 263 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3iml n GLY 263 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iml s GLY 264 N -0.55 2.47 0.54 -0.02 0.00 -1.26 -5.06 107.32 103.45 3iml s GLY 264 Ca 0.00 0.61 -0.07 0.00 0.00 0.00 0.00 44.72 45.25 3iml s GLY 264 CO 0.00 0.93 0.88 0.00 0.00 0.00 0.00 173.10 174.91 3iml s ALA 265 N -2.02 3.28 -0.25 3.20 0.00 -1.26 -4.97 121.76 119.74 3iml s ALA 265 Ca 0.67 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 3iml s ALA 265 Cb -0.17 -2.77 -0.15 0.00 0.00 0.00 0.00 23.12 20.03 3iml s ALA 265 CO 0.23 -0.51 -0.17 1.19 0.00 0.00 0.00 175.76 176.50 3iml n PHE 266 N -2.46 0.32 -2.15 0.00 3.72 -1.26 -4.66 117.46 110.96 3iml n PHE 266 Ca 0.03 0.13 -0.40 0.00 -0.05 0.00 0.00 57.45 57.15 3iml n PHE 266 Cb 0.55 -1.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.04 3iml n PHE 266 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3iml s SER 267 N -7.24 6.72 0.00 4.37 0.01 -1.26 -2.66 113.70 113.64 3iml s SER 267 Ca -0.35 2.62 0.00 0.00 1.31 0.00 0.00 55.95 59.53 3iml s SER 267 Cb 0.12 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.71 3iml s SER 267 CO 0.54 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 174.23 3iml n GLY 268 N 0.80 1.03 3.63 3.44 0.00 -1.26 -4.77 105.19 108.06 3iml n GLY 268 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3iml n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iml s LYS 269 N -0.56 3.64 0.75 1.61 1.02 -1.09 -0.53 119.74 124.58 3iml s LYS 269 Ca 0.00 -0.38 -0.11 0.00 0.02 0.00 0.00 55.97 55.50 3iml s LYS 269 Cb 0.00 -3.05 0.04 0.00 -0.52 0.00 0.00 37.83 34.30 3iml s LYS 269 CO 0.00 0.40 1.08 0.16 -0.92 0.00 0.00 175.35 176.07 3iml s ASP 270 N -0.03 4.93 0.57 2.83 1.47 -0.76 -4.94 116.67 120.74 3iml s ASP 270 Ca 0.05 1.42 0.28 0.00 1.18 0.00 0.00 52.55 55.47 3iml s ASP 270 Cb -0.12 -2.22 1.50 0.00 -0.34 0.00 0.00 42.92 41.73 3iml s ASP 270 CO 0.01 -1.70 1.99 -0.65 0.68 0.00 0.00 175.17 175.50 3iml h PRO 271 N -0.90 0.00 0.00 2.11 0.11 -1.89 -1.63 132.00 129.79 3iml h PRO 271 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3iml h PRO 271 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3iml h PRO 271 CO 0.59 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.25 3iml n SER 272 N -3.99 0.61 -4.61 -2.05 3.41 -1.26 -4.28 113.62 101.45 3iml n SER 272 Ca 0.07 0.70 -0.43 0.00 -0.26 0.00 0.00 58.87 58.95 3iml n SER 272 Cb 0.56 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 3iml n SER 272 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3iml s LYS 273 N -3.39 3.90 0.37 4.33 -0.14 -0.62 -4.94 119.74 119.25 3iml s LYS 273 Ca 0.02 0.74 0.05 0.00 -1.36 0.00 0.00 55.97 55.41 3iml s LYS 273 Cb 0.08 -3.79 0.71 0.00 -1.68 0.00 0.00 37.83 33.15 3iml s LYS 273 CO 0.31 -0.98 1.96 0.28 -0.76 0.00 0.00 175.35 176.16 3iml h VAL 274 N 5.84 1.16 -1.19 3.17 2.07 -1.88 -1.61 116.25 123.80 3iml h VAL 274 Ca -0.22 -0.50 0.34 0.00 0.82 0.00 0.00 66.70 67.14 3iml h VAL 274 Cb 1.07 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 3iml h VAL 274 CO 1.01 0.19 0.84 0.44 0.02 0.00 0.00 177.57 180.07 3iml h ASP 275 N 0.56 0.09 0.00 0.57 3.45 -1.92 -1.53 116.42 117.64 3iml h ASP 275 Ca 0.14 0.02 -0.13 0.00 0.43 0.00 0.00 57.03 57.49 3iml h ASP 275 Cb 0.13 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 3iml h ASP 275 CO -0.01 0.01 -1.26 -1.14 -1.57 0.00 0.00 179.24 175.27 3iml n ARG 276 N -4.27 0.53 -0.36 3.56 0.63 -0.63 -4.17 116.66 111.96 3iml n ARG 276 Ca 0.26 0.34 -0.03 0.00 -0.92 0.00 0.00 57.85 57.51 3iml n ARG 276 Cb 1.21 -1.54 0.10 0.00 0.45 0.00 0.00 32.46 32.68 3iml n ARG 276 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3iml h SER 277 N -1.00 1.13 0.32 6.15 4.64 -1.47 -1.84 113.55 121.47 3iml h SER 277 Ca -0.20 -0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 60.91 3iml h SER 277 Cb 1.06 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 3iml h SER 277 CO -0.12 0.83 -0.71 0.00 -0.87 0.00 0.00 176.83 175.96 3iml h ALA 278 N 1.34 0.65 -0.59 5.18 0.00 -1.53 -1.38 119.26 122.92 3iml h ALA 278 Ca 0.35 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3iml h ALA 278 Cb -0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3iml h ALA 278 CO -0.07 0.77 0.03 0.00 0.00 0.00 0.00 179.25 179.98 3iml h ALA 279 N 1.00 0.80 -0.51 0.00 0.00 -1.66 -0.60 119.26 118.29 3iml h ALA 279 Ca -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3iml h ALA 279 Cb 1.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3iml h ALA 279 CO 0.12 0.61 0.28 1.88 0.00 0.00 0.00 179.25 182.14 3iml h TYR 280 N 0.92 0.69 -0.21 0.00 -1.99 -1.20 -2.29 116.97 112.90 3iml h TYR 280 Ca 0.17 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.92 3iml h TYR 280 Cb 0.51 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.99 3iml h TYR 280 CO 0.04 0.50 -0.00 0.00 -0.00 0.00 0.00 178.16 178.70 3iml h ALA 281 N 1.12 0.18 -0.89 3.88 0.00 -0.97 -0.51 119.26 122.08 3iml h ALA 281 Ca 0.18 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.28 3iml h ALA 281 Cb 0.04 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 3iml h ALA 281 CO -0.03 -0.43 0.57 0.78 0.00 0.00 0.00 179.25 180.14 3iml h GLY 282 N 0.06 1.21 0.63 0.00 0.00 -0.92 -0.05 103.07 104.01 3iml h GLY 282 Ca 0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3iml h GLY 282 CO -0.17 0.11 -0.09 -0.09 0.00 0.00 0.00 176.54 176.30 3iml h ARG 283 N 0.72 0.20 -0.35 4.80 9.65 -0.76 -1.90 114.38 126.74 3iml h ARG 283 Ca 0.44 -0.11 0.07 0.00 -1.10 0.00 0.00 59.98 59.28 3iml h ARG 283 Cb 0.67 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.18 3iml h ARG 283 CO -0.20 0.64 -0.12 -0.92 2.80 0.00 0.00 179.97 182.17 3iml h TYR 284 N -0.24 -0.29 0.11 2.20 3.20 -0.22 0.11 116.97 121.83 3iml h TYR 284 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3iml h TYR 284 Cb 0.61 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.07 3iml h TYR 284 CO 0.09 -0.20 -0.05 0.28 -1.64 0.00 0.00 178.16 176.65 3iml h VAL 285 N -0.05 0.93 -0.15 1.81 2.07 -1.07 -2.24 116.25 117.54 3iml h VAL 285 Ca 0.17 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3iml h VAL 285 Cb 0.31 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3iml h VAL 285 CO -0.39 0.03 0.10 0.00 0.02 0.00 0.00 177.57 177.33 3iml h ALA 286 N 0.70 0.19 -0.19 1.67 0.00 -0.95 -1.68 119.26 119.01 3iml h ALA 286 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3iml h ALA 286 Cb 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3iml h ALA 286 CO 0.02 -0.31 -0.08 -0.22 0.00 0.00 0.00 179.25 178.67 3iml h LYS 287 N 0.19 0.30 0.03 0.00 3.64 -0.79 -2.64 116.57 117.29 3iml h LYS 287 Ca 0.05 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.15 3iml h LYS 287 Cb 0.00 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3iml h LYS 287 CO -0.01 0.39 -0.98 -0.91 -2.27 0.00 0.00 179.45 175.67 3iml h ASN 288 N 0.28 0.34 0.41 4.20 2.35 -1.03 -1.94 115.58 120.19 3iml h ASN 288 Ca 0.06 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 3iml h ASN 288 Cb 0.32 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3iml h ASN 288 CO 0.02 1.14 -0.45 0.40 -1.65 0.00 0.00 177.43 176.88 3iml h ILE 289 N 0.12 0.00 -0.33 2.81 2.04 -1.06 -2.44 117.51 118.65 3iml h ILE 289 Ca -0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 3iml h ILE 289 Cb 1.64 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3iml h ILE 289 CO 0.16 0.00 0.12 0.58 0.00 0.00 0.00 178.15 179.01 3iml h VAL 290 N -0.86 1.14 -0.02 1.67 2.07 -1.53 -2.51 116.25 116.21 3iml h VAL 290 Ca -0.05 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 3iml h VAL 290 Cb 0.76 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3iml h VAL 290 CO -0.07 0.17 -0.53 0.00 0.02 0.00 0.00 177.57 177.15 3iml h ALA 291 N 1.67 1.08 -0.09 1.67 0.00 -1.25 -2.46 119.26 119.88 3iml h ALA 291 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3iml h ALA 291 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3iml h ALA 291 CO -0.01 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.91 3iml n ALA 292 N -2.45 2.56 -0.97 0.00 0.00 -0.93 -4.92 120.51 113.81 3iml n ALA 292 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3iml n ALA 292 Cb 0.55 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3iml n ALA 292 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iml n GLY 293 N 1.01 0.50 0.33 0.00 0.00 -0.93 -4.94 105.19 101.17 3iml n GLY 293 Ca 0.16 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3iml n GLY 293 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iml h LEU 294 N 0.00 1.08 -8.25 0.99 4.07 -1.69 -3.46 115.31 108.05 3iml h LEU 294 Ca 0.00 -0.21 -0.14 0.00 0.08 0.00 0.00 57.88 57.61 3iml h LEU 294 Cb 0.00 -0.28 -0.13 0.00 1.08 0.00 0.00 40.66 41.32 3iml h LEU 294 CO 0.00 1.00 -0.43 0.00 -1.08 0.00 0.00 178.44 177.93 3iml s ALA 295 N -5.41 0.36 -0.00 1.53 0.00 -1.26 -5.03 121.76 111.95 3iml s ALA 295 Ca -0.12 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.73 3iml s ALA 295 Cb 0.15 0.93 -0.25 0.00 0.00 0.00 0.00 23.12 23.94 3iml s ALA 295 CO 0.84 -0.61 0.81 1.03 0.00 0.00 0.00 175.76 177.84 3iml h SER 296 N 2.63 0.22 -4.29 0.00 0.87 -1.90 -3.41 113.55 107.67 3iml h SER 296 Ca -0.33 -0.34 -0.09 0.00 -1.23 0.00 0.00 61.79 59.80 3iml h SER 296 Cb 1.22 -0.07 -0.22 0.00 -0.44 0.00 0.00 62.40 62.89 3iml h SER 296 CO 0.51 1.29 -0.10 0.00 -0.53 0.00 0.00 176.83 178.00 3iml s ARG 297 N -2.62 0.68 -0.15 2.24 1.70 -1.26 0.41 118.95 119.95 3iml s ARG 297 Ca -0.07 0.48 -0.10 0.00 -0.47 0.00 0.00 55.73 55.56 3iml s ARG 297 Cb 0.08 0.32 0.05 0.00 -0.57 0.00 0.00 34.95 34.83 3iml s ARG 297 CO 0.83 -0.13 0.37 0.00 -1.08 0.00 0.00 175.30 175.29 3iml s ALA 298 N -0.25 -0.93 0.08 7.88 0.00 0.40 -4.98 121.76 123.96 3iml s ALA 298 Ca -0.04 1.30 0.06 0.00 0.00 0.00 0.00 51.96 53.28 3iml s ALA 298 Cb -0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3iml s ALA 298 CO 0.03 -0.23 -0.08 -1.17 0.00 0.00 0.00 175.76 174.31 3iml s LEU 299 N 1.02 3.10 0.19 0.00 2.96 -1.26 -1.04 118.68 123.65 3iml s LEU 299 Ca -0.07 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.47 3iml s LEU 299 Cb -0.07 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3iml s LEU 299 CO -0.08 0.20 0.23 0.27 -1.32 0.00 0.00 176.35 175.65 3iml s ILE 300 N -1.17 0.03 -0.01 6.68 -4.36 0.33 -4.97 121.20 117.72 3iml s ILE 300 Ca 0.21 -1.70 -0.17 0.00 -0.26 0.00 0.00 60.65 58.73 3iml s ILE 300 Cb -0.11 -2.20 0.03 0.00 1.25 0.00 0.00 42.46 41.43 3iml s ILE 300 CO 0.13 -0.15 0.36 0.00 0.24 0.00 0.00 174.94 175.52 3iml s GLN 301 N -4.06 0.73 0.05 0.37 -2.07 -1.26 -0.43 119.66 112.98 3iml s GLN 301 Ca 0.28 -0.15 -0.22 0.00 -1.82 0.00 0.00 55.36 53.45 3iml s GLN 301 Cb 0.04 0.33 0.05 0.00 -1.09 0.00 0.00 33.01 32.34 3iml s GLN 301 CO 0.07 -0.21 0.50 0.08 -1.32 0.00 0.00 175.29 174.41 3iml s VAL 302 N -1.39 0.03 0.32 3.63 1.01 -0.10 -5.01 120.40 118.89 3iml s VAL 302 Ca -0.13 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3iml s VAL 302 Cb -0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3iml s VAL 302 CO 0.05 -0.15 0.22 -0.55 0.00 0.00 0.00 175.10 174.67 3iml s SER 303 N -2.00 1.61 0.11 3.32 0.15 -1.26 0.16 113.70 115.78 3iml s SER 303 Ca -0.05 -1.68 -0.00 0.00 0.70 0.00 0.00 55.95 54.92 3iml s SER 303 Cb -0.01 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 3iml s SER 303 CO -0.02 -1.00 0.14 -1.22 1.20 0.00 0.00 173.24 172.35 3iml n TYR 304 N -0.61 -0.69 0.00 3.44 4.01 -0.49 -4.98 117.16 117.84 3iml n TYR 304 Ca 0.04 -0.74 0.00 0.00 -0.16 0.00 0.00 57.90 57.04 3iml n TYR 304 Cb 0.63 0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 3iml n TYR 304 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3iml n ALA 305 N -2.29 0.53 -1.04 -0.72 0.00 -1.26 -4.42 120.51 111.30 3iml n ALA 305 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3iml n ALA 305 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3iml n ALA 305 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3iml n PHE 337 N -0.35 -0.30 -3.23 0.00 3.72 -1.26 -4.25 117.46 111.80 3iml n PHE 337 Ca 0.00 0.16 -0.46 0.00 -0.05 0.00 0.00 57.45 57.10 3iml n PHE 337 Cb 0.00 -0.57 -0.04 0.00 -0.94 0.00 0.00 39.48 37.93 3iml n PHE 337 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3iml s ASP 338 N -3.35 6.38 -0.03 4.37 -1.08 -1.26 -4.91 116.67 116.80 3iml s ASP 338 Ca 0.00 -1.96 0.16 0.00 -0.52 0.00 0.00 52.55 50.23 3iml s ASP 338 Cb 0.00 -2.25 0.52 0.00 -1.46 0.00 0.00 42.92 39.73 3iml s ASP 338 CO 0.00 -0.87 1.42 0.18 0.52 0.00 0.00 175.17 176.42 3iml n LEU 339 N 5.31 3.27 -4.76 -1.34 4.32 -1.26 -3.68 117.00 118.86 3iml n LEU 339 Ca -0.02 -1.64 -0.38 0.00 -0.02 0.00 0.00 56.01 53.95 3iml n LEU 339 Cb 0.43 -0.42 0.03 0.00 -1.62 0.00 0.00 43.42 41.84 3iml n LEU 339 CO 0.49 0.72 0.94 -0.13 -1.22 0.00 0.00 177.39 178.19 3iml s ARG 340 N -1.41 3.33 0.29 3.23 0.52 -1.26 -4.77 118.95 118.87 3iml s ARG 340 Ca 0.38 2.09 0.02 0.00 -0.52 0.00 0.00 55.73 57.71 3iml s ARG 340 Cb 0.22 -2.30 0.58 0.00 0.52 0.00 0.00 34.95 33.96 3iml s ARG 340 CO 0.24 -0.99 1.84 -1.35 0.02 0.00 0.00 175.30 175.05 3iml h PRO 341 N 1.63 0.94 0.00 3.54 0.11 -2.01 0.33 132.00 136.55 3iml h PRO 341 Ca -0.50 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3iml h PRO 341 Cb 1.28 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3iml h PRO 341 CO 0.58 0.63 -1.52 1.63 -0.21 0.00 0.00 178.00 179.11 3iml n LYS 342 N -4.61 0.42 0.26 1.05 5.02 -1.26 -3.89 118.16 115.15 3iml n LYS 342 Ca 0.19 -0.10 0.14 0.00 -2.02 0.00 0.00 58.31 56.52 3iml n LYS 342 Cb 0.36 -1.54 0.66 0.00 -0.02 0.00 0.00 35.03 34.48 3iml n LYS 342 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3iml h GLY 343 N 4.35 0.00 0.89 0.72 0.00 -1.46 -2.54 103.07 105.03 3iml h GLY 343 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3iml h GLY 343 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 176.54 174.32 3iml h ILE 344 N 0.00 1.26 -0.66 2.60 2.04 -0.49 -1.43 117.51 120.83 3iml h ILE 344 Ca -0.00 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 64.94 3iml h ILE 344 Cb 0.51 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3iml h ILE 344 CO 0.02 0.31 0.42 0.40 0.00 0.00 0.00 178.15 179.29 3iml h ILE 345 N 0.35 1.12 -0.10 -0.67 2.04 -1.62 -1.91 117.51 116.72 3iml h ILE 345 Ca 0.09 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3iml h ILE 345 Cb 0.44 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3iml h ILE 345 CO 0.02 0.15 0.03 1.56 0.00 0.00 0.00 178.15 179.91 3iml h GLN 346 N 0.84 0.17 -0.77 2.37 4.20 -1.50 0.27 115.11 120.70 3iml h GLN 346 Ca 0.26 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 3iml h GLN 346 Cb -0.03 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 3iml h GLN 346 CO -0.08 0.33 0.46 1.98 -0.67 0.00 0.00 178.83 180.84 3iml h MET 347 N -0.03 1.06 -0.02 1.46 1.85 -0.89 -2.70 114.93 115.66 3iml h MET 347 Ca 0.03 -0.10 0.00 0.00 -0.61 0.00 0.00 59.70 59.02 3iml h MET 347 Cb 0.24 -0.22 0.00 0.00 0.43 0.00 0.00 31.60 32.05 3iml h MET 347 CO -0.00 0.76 -0.33 1.28 -0.40 0.00 0.00 176.91 178.22 3iml n LEU 348 N -4.47 2.21 -3.56 3.39 4.77 -0.75 -5.01 117.00 113.58 3iml n LEU 348 Ca 0.07 -0.78 -0.25 0.00 -0.03 0.00 0.00 56.01 55.02 3iml n LEU 348 Cb 0.07 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 3iml n LEU 348 CO 0.37 0.40 -0.04 -0.67 -1.33 0.00 0.00 177.39 176.12 3iml n ASP 349 N 0.30 -5.15 -0.04 -1.43 2.03 0.06 -4.67 116.55 107.65 3iml n ASP 349 Ca 0.11 -0.90 0.13 0.00 0.52 0.00 0.00 54.79 54.65 3iml n ASP 349 Cb 0.49 -4.02 0.46 0.00 -0.72 0.00 0.00 41.12 37.34 3iml n ASP 349 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3iml n LEU 350 N -3.91 0.36 -4.08 -2.67 4.77 -1.02 -4.56 117.00 105.88 3iml n LEU 350 Ca -0.11 0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.59 3iml n LEU 350 Cb 0.61 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3iml n LEU 350 CO 0.65 0.08 2.11 0.18 -1.33 0.00 0.00 177.39 179.08 3iml n LEU 351 N -1.34 6.11 -3.62 2.23 4.77 -1.26 -4.77 117.00 119.12 3iml n LEU 351 Ca 0.08 -4.29 -0.15 0.00 -0.03 0.00 0.00 56.01 51.62 3iml n LEU 351 Cb 0.32 -1.62 -0.07 0.00 -2.33 0.00 0.00 43.42 39.72 3iml n LEU 351 CO 0.29 0.91 0.33 -0.60 -1.33 0.00 0.00 177.39 177.00 3iml s ARG 352 N 2.36 0.85 -1.19 3.23 3.52 -1.26 -4.95 118.95 121.51 3iml s ARG 352 Ca 0.46 0.53 -0.14 0.00 -0.13 0.00 0.00 55.73 56.45 3iml s ARG 352 Cb 0.08 0.41 -0.06 0.00 -1.56 0.00 0.00 34.95 33.81 3iml s ARG 352 CO -0.01 -0.19 2.27 -0.35 -0.81 0.00 0.00 175.30 176.21 3iml n PRO 353 N 1.89 2.49 -0.14 5.12 -0.04 -1.26 -4.49 135.00 138.57 3iml n PRO 353 Ca -0.17 -2.08 0.07 0.00 -0.04 0.00 0.00 63.50 61.29 3iml n PRO 353 Cb 0.56 -2.92 0.13 0.00 -0.04 0.00 0.00 33.50 31.24 3iml n PRO 353 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3iml n ILE 354 N 4.86 1.68 -0.08 0.52 -5.35 -1.26 -4.83 119.36 114.91 3iml n ILE 354 Ca 0.55 -1.78 -0.11 0.00 -0.27 0.00 0.00 62.75 61.14 3iml n ILE 354 Cb 0.31 -0.00 -0.15 0.00 -1.74 0.00 0.00 39.64 38.06 3iml n ILE 354 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3iml n TYR 355 N -0.85 0.31 -0.26 4.28 4.01 -1.26 -4.11 117.16 119.28 3iml n TYR 355 Ca 0.13 0.10 0.05 0.00 -0.16 0.00 0.00 57.90 58.02 3iml n TYR 355 Cb 0.58 -1.05 0.19 0.00 -0.31 0.00 0.00 39.34 38.74 3iml n TYR 355 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3iml h GLU 356 N 0.00 0.41 -1.00 -0.72 4.81 -1.88 -1.33 114.58 114.88 3iml h GLU 356 Ca -0.48 -0.02 0.19 0.00 -0.13 0.00 0.00 59.36 58.91 3iml h GLU 356 Cb 2.14 -0.09 -0.10 0.00 0.63 0.00 0.00 28.75 31.33 3iml h GLU 356 CO 0.03 0.27 0.61 -0.22 -0.73 0.00 0.00 179.01 178.98 3iml h LYS 357 N 0.42 0.73 0.00 1.92 1.63 -1.94 -1.19 116.57 118.14 3iml h LYS 357 Ca 0.41 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 3iml h LYS 357 Cb 0.63 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 3iml h LYS 357 CO -0.41 0.48 0.00 1.79 -3.45 0.00 0.00 179.45 177.86 3iml h THR 358 N 0.75 0.00 0.00 1.00 1.35 -1.40 -3.33 112.91 111.27 3iml h THR 358 Ca 0.57 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 3iml h THR 358 Cb 0.91 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3iml h THR 358 CO -0.36 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 174.91 3iml n ALA 359 N -2.06 2.15 -3.14 6.62 0.00 -0.45 -4.01 120.51 119.61 3iml n ALA 359 Ca 0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 3iml n ALA 359 Cb 0.35 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 3iml n ALA 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iml s ALA 360 N -2.39 -0.52 -0.56 0.00 0.00 -1.25 -4.54 121.76 112.50 3iml s ALA 360 Ca 0.24 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3iml s ALA 360 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3iml s ALA 360 CO 0.29 -0.20 0.00 0.66 0.00 0.00 0.00 175.76 176.52 3iml n TYR 361 N 1.81 0.00 0.00 0.00 4.01 -1.26 -4.85 117.16 116.87 3iml n TYR 361 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 3iml n TYR 361 Cb 0.56 -1.26 0.00 0.00 -0.31 0.00 0.00 39.34 38.34 3iml n TYR 361 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iml n GLY 362 N -2.30 0.52 0.17 2.72 0.00 -1.26 -4.86 105.19 100.18 3iml n GLY 362 Ca -0.05 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.63 3iml n GLY 362 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3iml h HIS 363 N 0.00 0.00 -4.16 1.61 3.86 -1.42 -3.46 115.15 111.58 3iml h HIS 363 Ca 0.00 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.52 3iml h HIS 363 Cb 0.00 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 28.22 3iml h HIS 363 CO 0.00 0.00 -0.87 -0.06 0.86 0.00 0.00 177.93 177.86 3iml s PHE 364 N -3.22 2.34 0.00 2.45 0.08 -1.26 -4.78 117.98 113.59 3iml s PHE 364 Ca 0.06 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.72 3iml s PHE 364 Cb 0.08 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.17 3iml s PHE 364 CO 0.68 0.20 0.00 0.41 -0.10 0.00 0.00 175.22 176.41 3iml n GLY 365 N 1.50 0.65 3.19 4.36 0.00 -1.26 -4.99 105.19 108.64 3iml n GLY 365 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3iml n GLY 365 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iml s ARG 366 N -0.61 3.11 -1.27 1.61 0.52 -1.26 -4.88 118.95 116.16 3iml s ARG 366 Ca 0.00 -0.78 -0.05 0.00 -0.52 0.00 0.00 55.73 54.38 3iml s ARG 366 Cb 0.00 -2.64 0.16 0.00 0.52 0.00 0.00 34.95 32.99 3iml s ARG 366 CO 0.00 -0.14 2.27 0.39 0.02 0.00 0.00 175.30 177.84 3iml n GLU 367 N 4.47 4.75 -2.60 3.54 1.02 -1.26 -4.87 120.64 125.69 3iml n GLU 367 Ca -0.20 -3.70 -0.32 0.00 -0.02 0.00 0.00 57.16 52.92 3iml n GLU 367 Cb 0.51 -2.60 -0.05 0.00 -0.02 0.00 0.00 31.44 29.28 3iml n GLU 367 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3iml s GLU 368 N -1.75 4.01 0.16 3.49 0.41 -1.26 -5.00 118.70 118.77 3iml s GLU 368 Ca 0.51 0.93 -0.13 0.00 -0.41 0.00 0.00 54.97 55.88 3iml s GLU 368 Cb 0.18 -2.19 0.06 0.00 -1.78 0.00 0.00 34.13 30.40 3iml s GLU 368 CO -0.10 -0.16 1.71 -1.35 -0.49 0.00 0.00 175.26 174.87 3iml h PRO 369 N 1.30 0.84 -0.42 0.39 0.11 -2.02 -2.93 132.00 129.28 3iml h PRO 369 Ca -0.47 -0.17 0.09 0.00 0.11 0.00 0.00 66.00 65.56 3iml h PRO 369 Cb 1.18 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3iml h PRO 369 CO 0.62 0.75 0.29 0.93 -0.21 0.00 0.00 178.00 180.37 3iml h GLU 370 N 0.76 0.16 -5.44 1.05 3.07 -1.98 -3.36 114.58 108.83 3iml h GLU 370 Ca 0.18 -0.01 -0.70 0.00 -0.50 0.00 0.00 59.36 58.33 3iml h GLU 370 Cb 0.24 -0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 28.00 3iml h GLU 370 CO -0.01 0.10 1.95 1.19 -1.40 0.00 0.00 179.01 180.85 3iml n PHE 371 N -4.45 4.73 0.03 4.33 3.72 -1.11 -4.77 117.46 119.93 3iml n PHE 371 Ca 0.06 -3.01 0.17 0.00 -0.05 0.00 0.00 57.45 54.63 3iml n PHE 371 Cb 0.38 -2.49 0.66 0.00 -0.94 0.00 0.00 39.48 37.09 3iml n PHE 371 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3iml h SER 372 N 7.38 0.04 0.40 4.37 4.64 -1.83 0.77 113.55 129.32 3iml h SER 372 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3iml h SER 372 Cb 0.86 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3iml h SER 372 CO 1.40 0.02 0.00 -2.67 -0.87 0.00 0.00 176.83 174.72 3iml n TRP 373 N -4.42 0.00 -0.40 4.77 2.14 -1.26 -1.88 117.44 116.39 3iml n TRP 373 Ca 0.08 0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.75 3iml n TRP 373 Cb 0.50 -0.48 0.30 0.00 -0.81 0.00 0.00 31.31 30.82 3iml n TRP 373 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3iml n GLU 374 N -1.48 2.97 -2.88 -2.67 -0.58 0.27 -3.50 120.64 112.76 3iml n GLU 374 Ca 0.03 -2.61 -0.41 0.00 -0.42 0.00 0.00 57.16 53.75 3iml n GLU 374 Cb 0.14 -1.59 -0.04 0.00 -0.57 0.00 0.00 31.44 29.38 3iml n GLU 374 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3iml s ALA 375 N -1.21 3.49 -1.30 0.62 0.00 -0.79 -4.91 121.76 117.66 3iml s ALA 375 Ca 0.45 0.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.35 3iml s ALA 375 Cb 0.25 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 3iml s ALA 375 CO 0.28 -0.61 2.34 0.00 0.00 0.00 0.00 175.76 177.76 3iml n ALA 376 N 5.12 5.51 0.90 0.00 0.00 -1.26 -4.65 120.51 126.13 3iml n ALA 376 Ca 0.05 -3.46 0.11 0.00 0.00 0.00 0.00 53.44 50.14 3iml n ALA 376 Cb 0.49 -3.46 0.13 0.00 0.00 0.00 0.00 19.45 16.62 3iml n ALA 376 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iml n ASP 377 N 5.53 0.63 0.00 0.00 -0.08 -1.26 -5.08 116.55 116.29 3iml n ASP 377 Ca 0.57 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 3iml n ASP 377 Cb 0.32 0.49 0.00 0.00 2.34 0.00 0.00 41.12 44.27 3iml n ASP 377 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61