#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhk s ARG 3 N 0.00 3.25 -0.00 3.69 3.52 -1.26 -0.28 118.95 127.86 1vhk s ARG 3 Ca 0.00 -0.76 0.06 0.00 -0.13 0.00 0.00 55.73 54.90 1vhk s ARG 3 Cb 0.00 -2.54 -0.02 0.00 -1.56 0.00 0.00 34.95 30.83 1vhk s ARG 3 CO 0.00 0.15 -0.18 0.71 -0.81 0.00 0.00 175.30 175.17 1vhk s TYR 4 N 0.48 1.57 -0.43 5.12 1.51 0.61 -4.81 117.35 121.41 1vhk s TYR 4 Ca -0.11 -0.31 -0.18 0.00 -1.01 0.00 0.00 57.07 55.45 1vhk s TYR 4 Cb -0.16 -0.99 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1vhk s TYR 4 CO 0.05 -0.00 0.49 -0.06 -1.11 0.00 0.00 175.55 174.91 1vhk s PHE 5 N -0.50 3.14 0.10 2.71 0.08 -1.26 -1.17 117.98 121.08 1vhk s PHE 5 Ca 0.06 -0.32 -0.18 0.00 0.12 0.00 0.00 56.93 56.62 1vhk s PHE 5 Cb -0.07 -3.02 -0.07 0.00 -0.57 0.00 0.00 43.02 39.29 1vhk s PHE 5 CO -0.00 -0.75 0.58 0.42 -0.10 0.00 0.00 175.22 175.37 1vhk s ILE 6 N 2.30 4.75 -0.47 0.64 -1.09 -0.90 -4.98 121.20 121.44 1vhk s ILE 6 Ca 0.14 1.14 -0.02 0.00 -2.23 0.00 0.00 60.65 59.69 1vhk s ILE 6 Cb -0.17 -3.86 0.20 0.00 -1.58 0.00 0.00 42.46 37.06 1vhk s ILE 6 CO 0.15 0.46 2.30 -0.62 -1.23 0.00 0.00 174.94 176.00 1vhk n GLU 7 N 1.44 2.24 -4.25 2.79 -0.58 -1.26 -3.12 120.64 117.89 1vhk n GLU 7 Ca -0.09 -2.28 -0.15 0.00 -0.42 0.00 0.00 57.16 54.23 1vhk n GLU 7 Cb 0.51 -1.97 -0.10 0.00 -0.57 0.00 0.00 31.44 29.31 1vhk n GLU 7 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1vhk s LEU 8 N -2.44 2.51 0.42 -4.62 2.01 -1.26 -4.97 118.68 110.33 1vhk s LEU 8 Ca 0.48 -0.98 0.01 0.00 0.01 0.00 0.00 54.13 53.66 1vhk s LEU 8 Cb 0.35 -0.39 -0.01 0.00 0.01 0.00 0.00 46.19 46.15 1vhk s LEU 8 CO -0.12 -0.29 0.62 -0.89 1.01 0.00 0.00 176.35 176.68 1vhk s THR 9 N -3.10 4.18 0.13 5.49 2.01 -1.26 -0.68 115.64 122.40 1vhk s THR 9 Ca 0.15 -0.58 -0.20 0.00 0.31 0.00 0.00 61.69 61.38 1vhk s THR 9 Cb 0.01 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 1vhk s THR 9 CO 0.01 -0.34 1.70 0.50 -0.69 0.00 0.00 174.62 175.81 1vhk h LYS 10 N 0.53 -0.01 -0.03 4.92 3.64 -1.93 -2.05 116.57 121.64 1vhk h LYS 10 Ca -0.47 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1vhk h LYS 10 Cb 1.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1vhk h LYS 10 CO 0.57 -0.01 0.02 1.96 -2.27 0.00 0.00 179.45 179.73 1vhk h GLN 11 N -0.01 0.00 -0.04 1.90 4.20 -1.99 -0.12 115.11 119.06 1vhk h GLN 11 Ca 0.10 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 1vhk h GLN 11 Cb 0.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1vhk h GLN 11 CO -0.22 0.00 -0.61 1.96 -0.67 0.00 0.00 178.83 179.30 1vhk h GLN 12 N 0.00 0.13 0.00 1.46 4.20 -1.79 -2.06 115.11 117.05 1vhk h GLN 12 Ca 0.01 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.49 1vhk h GLN 12 Cb 0.06 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1vhk h GLN 12 CO -0.00 0.70 -0.70 0.82 -0.67 0.00 0.00 178.83 178.98 1vhk h ILE 13 N 0.10 1.29 0.00 2.54 2.04 -0.41 -3.14 117.51 119.93 1vhk h ILE 13 Ca -0.01 -2.59 -0.12 0.00 1.00 0.00 0.00 64.86 63.15 1vhk h ILE 13 Cb 1.10 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.64 1vhk h ILE 13 CO 0.09 0.69 -0.56 -0.33 0.00 0.00 0.00 178.15 178.03 1vhk h GLU 14 N 0.00 0.00 -0.90 2.37 5.08 -1.05 -3.34 114.58 116.73 1vhk h GLU 14 Ca -0.01 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1vhk h GLU 14 Cb 1.43 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.56 1vhk h GLU 14 CO 0.09 0.56 -0.49 -1.91 -1.00 0.00 0.00 179.01 176.26 1vhk n GLU 15 N -3.57 -0.35 -4.09 2.33 2.13 -0.79 -4.65 120.64 111.64 1vhk n GLU 15 Ca -0.00 1.37 -0.27 0.00 0.66 0.00 0.00 57.16 58.91 1vhk n GLU 15 Cb 0.63 -2.01 -0.03 0.00 0.27 0.00 0.00 31.44 30.29 1vhk n GLU 15 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1vhk s ALA 16 N -5.54 4.20 0.15 4.31 0.00 -1.26 -5.06 121.76 118.57 1vhk s ALA 16 Ca -0.11 -1.26 0.15 0.00 0.00 0.00 0.00 51.96 50.74 1vhk s ALA 16 Cb 0.12 -0.53 0.44 0.00 0.00 0.00 0.00 23.12 23.15 1vhk s ALA 16 CO 0.58 -0.30 1.63 -1.35 0.00 0.00 0.00 175.76 176.31 1vhk h PRO 17 N 1.01 0.00 -4.74 0.00 0.11 -1.87 -3.46 132.00 123.05 1vhk h PRO 17 Ca -0.40 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.39 1vhk h PRO 17 Cb 1.29 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.26 1vhk h PRO 17 CO 0.63 0.51 -0.59 0.95 -0.21 0.00 0.00 178.00 179.29 1vhk s THR 18 N -3.45 0.16 0.06 -1.15 -4.23 -1.26 -4.63 115.64 101.14 1vhk s THR 18 Ca 0.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 1vhk s THR 18 Cb 0.11 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.41 1vhk s THR 18 CO 0.73 0.00 0.11 0.72 -0.54 0.00 0.00 174.62 175.64 1vhk s PHE 19 N -3.88 0.25 0.06 3.99 -0.71 0.12 -4.96 117.98 112.85 1vhk s PHE 19 Ca 0.38 -0.65 0.07 0.00 -1.04 0.00 0.00 56.93 55.69 1vhk s PHE 19 Cb 0.06 -0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.68 1vhk s PHE 19 CO 0.16 -0.45 -0.20 -1.54 -1.34 0.00 0.00 175.22 171.84 1vhk s SER 20 N -2.61 2.46 -0.27 1.98 1.04 -1.26 0.46 113.70 115.49 1vhk s SER 20 Ca 0.02 -0.57 -0.11 0.00 0.48 0.00 0.00 55.95 55.77 1vhk s SER 20 Cb 0.03 -0.18 -0.05 0.00 0.10 0.00 0.00 66.02 65.93 1vhk s SER 20 CO -0.08 0.12 0.18 -0.63 0.98 0.00 0.00 173.24 173.81 1vhk s ILE 21 N -0.91 5.27 0.09 -1.02 1.01 0.16 -4.92 121.20 120.87 1vhk s ILE 21 Ca 0.07 0.16 0.09 0.00 0.00 0.00 0.00 60.65 60.97 1vhk s ILE 21 Cb -0.09 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 1vhk s ILE 21 CO 0.03 0.27 -0.25 0.42 0.00 0.00 0.00 174.94 175.40 1vhk s THR 22 N 1.67 2.02 0.00 2.92 -4.23 -1.26 -2.34 115.64 114.42 1vhk s THR 22 Ca 0.07 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1vhk s THR 22 Cb -0.16 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 71.91 1vhk s THR 22 CO 0.10 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 1vhk n GLY 23 N 1.35 0.65 0.39 3.99 0.00 -1.26 -4.57 105.19 105.74 1vhk n GLY 23 Ca -0.18 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 1vhk n GLY 23 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vhk h GLU 24 N 0.00 -0.40 -0.93 1.61 5.08 -1.98 -2.90 114.58 115.06 1vhk h GLU 24 Ca 0.00 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.54 1vhk h GLU 24 Cb 0.00 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.26 1vhk h GLU 24 CO 0.00 -0.26 0.59 0.93 -1.00 0.00 0.00 179.01 179.27 1vhk h GLU 25 N -0.41 0.68 0.04 2.33 3.07 -1.96 -2.36 114.58 115.97 1vhk h GLU 25 Ca 0.10 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.93 1vhk h GLU 25 Cb 0.60 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 1vhk h GLU 25 CO -0.46 0.45 -0.10 -0.39 -1.40 0.00 0.00 179.01 177.11 1vhk h VAL 26 N 0.70 0.76 -0.78 3.13 -1.51 -1.77 0.33 116.25 117.11 1vhk h VAL 26 Ca 0.48 0.00 0.13 0.00 -1.23 0.00 0.00 66.70 66.09 1vhk h VAL 26 Cb 0.79 0.76 -0.09 0.00 -2.13 0.00 0.00 31.29 30.62 1vhk h VAL 26 CO -0.24 0.00 0.36 -0.74 -1.23 0.00 0.00 177.57 175.72 1vhk h HIS 27 N -0.19 0.64 -0.44 5.19 -0.00 -1.50 0.91 115.15 119.75 1vhk h HIS 27 Ca 0.02 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.36 1vhk h HIS 27 Cb 0.22 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.45 1vhk h HIS 27 CO -0.14 0.14 -0.00 1.25 -0.00 0.00 0.00 177.93 179.18 1vhk h HIS 28 N 0.54 0.85 0.68 5.26 6.17 -1.19 0.57 115.15 128.03 1vhk h HIS 28 Ca 0.42 -0.15 -0.03 0.00 0.71 0.00 0.00 60.37 61.32 1vhk h HIS 28 Cb 0.59 -0.22 0.01 0.00 2.52 0.00 0.00 27.41 30.30 1vhk h HIS 28 CO -0.13 0.83 -0.33 0.82 0.71 0.00 0.00 177.93 179.84 1vhk h ILE 29 N 0.62 0.20 0.33 6.26 2.04 0.22 -3.27 117.51 123.90 1vhk h ILE 29 Ca 0.12 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1vhk h ILE 29 Cb 0.50 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1vhk h ILE 29 CO 0.02 0.02 -0.16 0.58 0.00 0.00 0.00 178.15 178.61 1vhk h VAL 30 N -1.11 0.00 0.13 1.67 2.07 0.64 -2.43 116.25 117.22 1vhk h VAL 30 Ca -0.09 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1vhk h VAL 30 Cb 0.74 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1vhk h VAL 30 CO 0.15 0.00 -0.06 0.78 0.02 0.00 0.00 177.57 178.46 1vhk h ASN 31 N -0.98 -0.15 0.00 0.57 2.35 -1.10 -2.45 115.58 113.83 1vhk h ASN 31 Ca -0.05 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1vhk h ASN 31 Cb 0.34 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1vhk h ASN 31 CO 0.07 0.30 0.00 0.52 -1.65 0.00 0.00 177.43 176.67 1vhk n VAL 32 N -4.70 0.00 0.00 2.81 0.31 -0.61 -5.02 118.33 111.12 1vhk n VAL 32 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1vhk n VAL 32 Cb 0.07 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 1vhk n VAL 32 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1vhk n ARG 34 N -0.91 0.00 -3.66 5.55 1.74 -0.92 -5.06 116.66 113.41 1vhk n ARG 34 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1vhk n ARG 34 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1vhk n ARG 34 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1vhk s ASN 36 N 0.00 -0.37 0.28 0.55 0.01 -1.26 -5.01 114.94 109.13 1vhk s ASN 36 Ca 0.00 -0.34 -0.30 0.00 -0.71 0.00 0.00 52.86 51.51 1vhk s ASN 36 Cb 0.00 0.63 -0.13 0.00 0.41 0.00 0.00 41.25 42.16 1vhk s ASN 36 CO 0.00 -1.11 1.37 -1.84 -1.51 0.00 0.00 177.10 174.01 1vhk n GLU 37 N -0.39 2.08 0.00 -0.60 -0.00 -1.26 -1.13 120.64 119.33 1vhk n GLU 37 Ca -0.11 0.74 0.00 0.00 -0.00 0.00 0.00 57.16 57.79 1vhk n GLU 37 Cb 0.62 -2.37 0.00 0.00 -0.00 0.00 0.00 31.44 29.70 1vhk n GLU 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1vhk n GLY 38 N 1.70 2.84 3.79 -1.84 0.00 0.19 -4.98 105.19 106.89 1vhk n GLY 38 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1vhk n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vhk s ASP 39 N -1.28 5.96 -0.08 1.61 -0.00 -0.29 -4.70 116.67 117.90 1vhk s ASP 39 Ca 0.00 2.02 0.01 0.00 -0.00 0.00 0.00 52.55 54.58 1vhk s ASP 39 Cb 0.00 -2.57 -0.03 0.00 -0.00 0.00 0.00 42.92 40.33 1vhk s ASP 39 CO 0.00 -1.05 -0.08 -1.10 -0.00 0.00 0.00 175.17 172.94 1vhk s GLN 40 N -3.39 2.85 0.27 8.23 -0.21 -1.26 0.76 119.66 126.91 1vhk s GLN 40 Ca 0.69 -0.58 0.02 0.00 0.02 0.00 0.00 55.36 55.51 1vhk s GLN 40 Cb -0.20 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.17 1vhk s GLN 40 CO 0.26 0.58 0.11 0.96 -2.12 0.00 0.00 175.29 175.08 1vhk s ILE 41 N -0.59 0.50 -0.15 1.08 -4.36 0.00 -4.99 121.20 112.69 1vhk s ILE 41 Ca 0.09 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.47 1vhk s ILE 41 Cb -0.12 -2.61 -0.01 0.00 1.25 0.00 0.00 42.46 40.98 1vhk s ILE 41 CO 0.02 0.00 -0.12 -0.63 0.24 0.00 0.00 174.94 174.45 1vhk s ILE 42 N -3.72 3.01 -0.00 8.37 -1.09 0.61 -0.74 121.20 127.64 1vhk s ILE 42 Ca 0.37 -0.66 0.06 0.00 -2.23 0.00 0.00 60.65 58.19 1vhk s ILE 42 Cb 0.07 -2.28 -0.02 0.00 -1.58 0.00 0.00 42.46 38.65 1vhk s ILE 42 CO 0.14 0.51 -0.20 0.00 -1.23 0.00 0.00 174.94 174.17 1vhk s SER 45 N 1.15 1.27 0.46 0.00 1.04 0.44 -2.12 113.70 115.94 1vhk s SER 45 Ca -0.01 0.72 0.24 0.00 0.48 0.00 0.00 55.95 57.38 1vhk s SER 45 Cb -0.14 -1.03 1.11 0.00 0.10 0.00 0.00 66.02 66.06 1vhk s SER 45 CO -0.07 -3.92 1.92 1.56 0.98 0.00 0.00 173.24 173.72 1vhk h GLN 46 N -2.44 0.00 -0.68 4.02 4.20 -0.84 -2.38 115.11 116.99 1vhk h GLN 46 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1vhk h GLN 46 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1vhk h GLN 46 CO 0.39 0.21 0.00 -0.40 -0.67 0.00 0.00 178.83 178.36 1vhk n ASP 47 N -3.57 4.35 0.00 1.46 3.85 -1.26 -4.94 116.55 116.44 1vhk n ASP 47 Ca -0.01 -2.62 0.00 0.00 -0.71 0.00 0.00 54.79 51.45 1vhk n ASP 47 Cb 0.35 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.51 1vhk n ASP 47 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vhk n GLY 48 N 0.55 0.59 3.68 6.12 0.00 -0.89 -5.00 105.19 110.24 1vhk n GLY 48 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1vhk n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vhk s PHE 49 N -2.07 3.41 -0.11 1.61 0.40 -1.26 -4.80 117.98 115.17 1vhk s PHE 49 Ca 0.00 0.85 -0.16 0.00 -0.60 0.00 0.00 56.93 57.02 1vhk s PHE 49 Cb 0.00 -2.68 -0.05 0.00 0.51 0.00 0.00 43.02 40.81 1vhk s PHE 49 CO 0.00 -0.05 0.41 -2.00 0.70 0.00 0.00 175.22 174.28 1vhk s GLU 50 N 1.44 4.24 0.08 0.44 2.12 -1.26 -0.42 118.70 125.34 1vhk s GLU 50 Ca 0.26 0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.98 1vhk s GLU 50 Cb -0.16 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 1vhk s GLU 50 CO 0.10 0.27 -0.14 0.00 -0.54 0.00 0.00 175.26 174.95 1vhk s ALA 51 N 0.28 1.28 -0.27 6.30 0.00 0.47 -1.89 121.76 127.92 1vhk s ALA 51 Ca 0.23 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 1vhk s ALA 51 Cb -0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1vhk s ALA 51 CO 0.09 0.16 0.47 0.21 0.00 0.00 0.00 175.76 176.68 1vhk s LYS 52 N -1.98 4.00 0.17 0.00 2.20 0.33 -1.30 119.74 123.15 1vhk s LYS 52 Ca 0.01 0.17 0.09 0.00 -0.36 0.00 0.00 55.97 55.88 1vhk s LYS 52 Cb -0.09 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 1vhk s LYS 52 CO 0.02 -0.36 -0.13 0.00 -0.36 0.00 0.00 175.35 174.52 1vhk s GLU 54 N -2.68 3.29 -0.40 0.00 2.12 -0.14 -0.82 118.70 120.08 1vhk s GLU 54 Ca 0.23 -0.72 -0.28 0.00 0.36 0.00 0.00 54.97 54.55 1vhk s GLU 54 Cb -0.09 -2.63 -0.00 0.00 0.26 0.00 0.00 34.13 31.67 1vhk s GLU 54 CO 0.13 0.10 1.57 -0.51 -0.54 0.00 0.00 175.26 176.02 1vhk s LEU 55 N 0.61 3.53 -0.09 2.70 2.01 0.23 -1.72 118.68 125.96 1vhk s LEU 55 Ca -0.08 0.95 -0.14 0.00 0.01 0.00 0.00 54.13 54.87 1vhk s LEU 55 Cb -0.16 -3.47 -0.28 0.00 0.01 0.00 0.00 46.19 42.30 1vhk s LEU 55 CO 0.03 -1.59 0.58 -0.61 1.01 0.00 0.00 176.35 175.77 1vhk h GLN 56 N 11.69 0.29 -4.16 1.70 4.15 -1.48 0.56 115.11 127.85 1vhk h GLN 56 Ca -0.30 -0.49 -0.37 0.00 0.77 0.00 0.00 58.65 58.26 1vhk h GLN 56 Cb 1.13 0.18 -0.32 0.00 0.21 0.00 0.00 27.48 28.69 1vhk h GLN 56 CO 1.08 1.24 -0.76 0.45 -1.93 0.00 0.00 178.83 178.90 1vhk s SER 57 N -7.11 0.78 -0.23 -0.69 0.15 -0.67 -4.79 113.70 101.13 1vhk s SER 57 Ca -0.19 -0.11 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 1vhk s SER 57 Cb 0.05 -0.26 0.07 0.00 -1.71 0.00 0.00 66.02 64.16 1vhk s SER 57 CO 0.79 -0.00 0.03 0.68 1.20 0.00 0.00 173.24 175.94 1vhk s VAL 58 N 0.46 0.88 0.00 4.45 -7.23 -1.26 0.12 120.40 117.81 1vhk s VAL 58 Ca -0.06 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1vhk s VAL 58 Cb -0.09 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.45 1vhk s VAL 58 CO -0.00 -0.31 0.00 -0.24 -0.31 0.00 0.00 175.10 174.24 1vhk n SER 59 N 4.90 1.00 -0.05 4.85 2.88 0.32 -4.98 113.62 122.54 1vhk n SER 59 Ca -0.08 -0.11 0.11 0.00 -1.33 0.00 0.00 58.87 57.46 1vhk n SER 59 Cb 0.45 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.95 1vhk n SER 59 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1vhk n LYS 60 N -0.06 0.13 0.00 -1.46 3.00 -1.26 -4.49 118.16 114.02 1vhk n LYS 60 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 1vhk n LYS 60 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1vhk n LYS 60 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1vhk n ASP 61 N -1.35 0.00 -3.89 3.14 3.85 -1.26 -4.82 116.55 112.23 1vhk n ASP 61 Ca 0.05 -0.57 -0.15 0.00 -0.71 0.00 0.00 54.79 53.41 1vhk n ASP 61 Cb 0.34 0.00 -0.15 0.00 -1.35 0.00 0.00 41.12 39.97 1vhk n ASP 61 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1vhk s LYS 62 N 0.00 0.25 -0.09 0.11 3.01 -1.26 -4.44 119.74 117.31 1vhk s LYS 62 Ca 0.00 -0.05 -0.00 0.00 -1.01 0.00 0.00 55.97 54.91 1vhk s LYS 62 Cb 0.00 -0.29 0.02 0.00 -1.01 0.00 0.00 37.83 36.55 1vhk s LYS 62 CO 0.00 0.01 -0.07 0.08 0.51 0.00 0.00 175.35 175.88 1vhk s VAL 63 N 0.23 0.89 -0.13 3.17 1.01 -0.99 -0.52 120.40 124.06 1vhk s VAL 63 Ca -0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 1vhk s VAL 63 Cb -0.05 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1vhk s VAL 63 CO -0.01 0.34 0.13 -0.44 0.00 0.00 0.00 175.10 175.12 1vhk s SER 64 N 1.52 6.33 0.05 3.32 0.01 0.31 0.37 113.70 125.62 1vhk s SER 64 Ca 0.01 0.43 0.05 0.00 1.31 0.00 0.00 55.95 57.74 1vhk s SER 64 Cb -0.13 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 1vhk s SER 64 CO -0.05 0.38 -0.14 0.00 0.41 0.00 0.00 173.24 173.83 1vhk s LEU 66 N -1.36 2.77 -0.32 0.00 2.96 -0.70 -0.71 118.68 121.32 1vhk s LEU 66 Ca 0.00 -0.38 -0.27 0.00 -0.22 0.00 0.00 54.13 53.26 1vhk s LEU 66 Cb -0.09 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1vhk s LEU 66 CO 0.02 0.07 0.99 0.54 -1.32 0.00 0.00 176.35 176.64 1vhk s VAL 67 N 0.96 4.59 -1.03 1.68 0.11 -1.26 -0.97 120.40 124.48 1vhk s VAL 67 Ca -0.01 1.56 0.24 0.00 -2.93 0.00 0.00 61.98 60.84 1vhk s VAL 67 Cb -0.15 -4.34 -0.05 0.00 -1.53 0.00 0.00 36.38 30.31 1vhk s VAL 67 CO -0.00 -0.43 1.28 2.30 -3.33 0.00 0.00 175.10 174.92 1vhk n ILE 68 N 5.79 0.00 -3.64 7.04 -5.35 1.00 -4.94 119.36 119.25 1vhk n ILE 68 Ca 0.10 -0.01 -0.03 0.00 -0.27 0.00 0.00 62.75 62.54 1vhk n ILE 68 Cb 0.47 0.46 -0.07 0.00 -1.74 0.00 0.00 39.64 38.77 1vhk n ILE 68 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1vhk s GLU 69 N -2.98 0.31 -0.52 6.28 2.12 -1.11 -4.98 118.70 117.82 1vhk s GLU 69 Ca 0.11 0.47 -0.18 0.00 0.36 0.00 0.00 54.97 55.72 1vhk s GLU 69 Cb 0.17 0.10 0.07 0.00 0.26 0.00 0.00 34.13 34.73 1vhk s GLU 69 CO 0.74 -0.05 0.60 -1.58 -0.54 0.00 0.00 175.26 174.42 1vhk s TRP 70 N 0.87 3.08 0.48 5.30 0.52 -1.26 -0.52 118.94 127.42 1vhk s TRP 70 Ca -0.04 -0.70 0.15 0.00 0.02 0.00 0.00 56.10 55.53 1vhk s TRP 70 Cb -0.04 -3.57 1.14 0.00 -1.15 0.00 0.00 33.47 29.85 1vhk s TRP 70 CO -0.12 -1.04 2.08 1.79 0.02 0.00 0.00 176.95 179.68 1vhk h THR 71 N 5.86 1.06 -0.97 2.01 1.35 -1.75 -3.47 112.91 117.00 1vhk h THR 71 Ca -0.28 -0.25 -0.35 0.00 -0.55 0.00 0.00 66.41 64.98 1vhk h THR 71 Cb 1.10 1.09 -0.13 0.00 -1.73 0.00 0.00 68.15 68.48 1vhk h THR 71 CO 0.98 0.07 -0.33 0.59 -0.25 0.00 0.00 175.52 176.58 1vhk n ASN 72 N -4.45 -5.05 -4.66 5.36 3.02 -1.26 -4.95 115.26 103.26 1vhk n ASN 72 Ca -0.02 0.38 -0.40 0.00 -0.03 0.00 0.00 54.58 54.51 1vhk n ASN 72 Cb 0.15 -4.07 -0.06 0.00 -0.61 0.00 0.00 39.78 35.19 1vhk n ASN 72 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1vhk s GLU 73 N -3.58 4.21 -0.18 3.52 0.41 -1.26 -5.05 118.70 116.77 1vhk s GLU 73 Ca 0.00 0.60 0.01 0.00 -0.41 0.00 0.00 54.97 55.17 1vhk s GLU 73 Cb 0.00 -3.58 0.02 0.00 -1.78 0.00 0.00 34.13 28.79 1vhk s GLU 73 CO 0.00 -0.24 -0.19 1.21 -0.49 0.00 0.00 175.26 175.55 1vhk s ASN 74 N 1.20 3.09 -0.17 -0.19 3.84 -1.26 -4.71 114.94 116.74 1vhk s ASN 74 Ca 0.28 -0.64 0.17 0.00 0.21 0.00 0.00 52.86 52.88 1vhk s ASN 74 Cb -0.16 -1.44 0.46 0.00 -0.55 0.00 0.00 41.25 39.56 1vhk s ASN 74 CO 0.10 -0.01 1.35 0.54 -2.79 0.00 0.00 177.10 176.29 1vhk n ARG 75 N 4.64 2.36 -2.96 0.43 1.74 -1.26 -5.01 116.66 116.60 1vhk n ARG 75 Ca -0.20 -2.80 -0.37 0.00 -0.77 0.00 0.00 57.85 53.70 1vhk n ARG 75 Cb 0.50 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 1vhk n ARG 75 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1vhk s GLU 76 N -2.88 4.45 0.55 5.56 0.41 -1.26 -4.88 118.70 120.64 1vhk s GLU 76 Ca 0.40 1.10 -0.21 0.00 -0.41 0.00 0.00 54.97 55.85 1vhk s GLU 76 Cb 0.33 -2.95 -0.06 0.00 -1.78 0.00 0.00 34.13 29.67 1vhk s GLU 76 CO 0.06 0.40 1.11 1.28 -0.49 0.00 0.00 175.26 177.63 1vhk n LEU 77 N 0.89 4.15 0.30 1.80 4.77 -1.26 -4.88 117.00 122.76 1vhk n LEU 77 Ca -0.02 0.91 0.18 0.00 -0.03 0.00 0.00 56.01 57.05 1vhk n LEU 77 Cb 0.50 -1.45 0.89 0.00 -2.33 0.00 0.00 43.42 41.03 1vhk n LEU 77 CO 0.44 -1.33 1.06 1.55 -1.33 0.00 0.00 177.39 177.78 1vhk h PRO 78 N 1.02 0.00 -5.78 3.23 0.13 -1.95 -3.42 132.00 125.22 1vhk h PRO 78 Ca -0.49 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.16 1vhk h PRO 78 Cb 1.34 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.27 1vhk h PRO 78 CO 0.54 0.03 -0.79 0.96 -0.23 0.00 0.00 178.00 178.52 1vhk s ILE 79 N -3.99 1.57 -0.49 -3.56 -4.36 -1.26 -1.19 121.20 107.92 1vhk s ILE 79 Ca -0.02 -1.69 -0.28 0.00 -0.26 0.00 0.00 60.65 58.40 1vhk s ILE 79 Cb 0.12 -1.59 0.03 0.00 1.25 0.00 0.00 42.46 42.27 1vhk s ILE 79 CO 0.51 -0.26 1.10 -0.54 0.24 0.00 0.00 174.94 175.98 1vhk s LYS 80 N -2.40 3.64 -0.19 0.37 1.02 -0.11 -4.92 119.74 117.16 1vhk s LYS 80 Ca 0.09 0.41 -0.04 0.00 0.02 0.00 0.00 55.97 56.46 1vhk s LYS 80 Cb -0.07 -3.93 -0.02 0.00 -0.52 0.00 0.00 37.83 33.29 1vhk s LYS 80 CO 0.04 -1.40 -0.04 0.54 -0.92 0.00 0.00 175.35 173.57 1vhk s VAL 81 N 4.37 3.61 -0.23 3.17 0.11 -1.26 0.42 120.40 130.58 1vhk s VAL 81 Ca 0.45 -0.44 -0.10 0.00 -2.93 0.00 0.00 61.98 58.96 1vhk s VAL 81 Cb -0.08 -2.61 -0.05 0.00 -1.53 0.00 0.00 36.38 32.12 1vhk s VAL 81 CO 0.30 0.46 0.13 -0.31 -3.33 0.00 0.00 175.10 172.34 1vhk s TYR 82 N 0.92 3.27 -0.34 1.54 2.02 0.18 0.53 117.35 125.46 1vhk s TYR 82 Ca -0.00 0.11 -0.14 0.00 -0.37 0.00 0.00 57.07 56.67 1vhk s TYR 82 Cb -0.15 -2.24 -0.02 0.00 -0.40 0.00 0.00 41.96 39.16 1vhk s TYR 82 CO 0.01 0.01 0.28 0.42 -1.57 0.00 0.00 175.55 174.71 1vhk s ILE 83 N 1.05 5.24 -0.34 2.71 -1.09 -0.81 -1.16 121.20 126.82 1vhk s ILE 83 Ca 0.06 -0.12 -0.12 0.00 -2.23 0.00 0.00 60.65 58.24 1vhk s ILE 83 Cb -0.14 -3.75 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 1vhk s ILE 83 CO 0.04 -0.04 0.23 0.00 -1.23 0.00 0.00 174.94 173.94 1vhk s ALA 84 N 1.83 3.46 -0.14 9.38 0.00 0.20 0.05 121.76 136.54 1vhk s ALA 84 Ca 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1vhk s ALA 84 Cb -0.17 -2.62 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 1vhk s ALA 84 CO 0.11 -0.98 -0.14 -1.12 0.00 0.00 0.00 175.76 173.63 1vhk s SER 85 N 1.70 3.88 0.00 0.00 0.01 -0.73 -0.53 113.70 118.03 1vhk s SER 85 Ca 0.06 -0.38 -0.30 0.00 1.31 0.00 0.00 55.95 56.64 1vhk s SER 85 Cb -0.17 -1.59 -0.07 0.00 0.21 0.00 0.00 66.02 64.39 1vhk s SER 85 CO 0.10 0.14 1.72 -0.83 0.41 0.00 0.00 173.24 174.78 1vhk s GLY 86 N 0.49 1.53 -0.37 3.44 0.00 -0.64 -2.18 107.32 109.58 1vhk s GLY 86 Ca -0.10 1.10 -0.30 0.00 0.00 0.00 0.00 44.72 45.41 1vhk s GLY 86 CO 0.04 3.09 1.53 1.04 0.00 0.00 0.00 173.10 178.80 1vhk n LEU 87 N 6.77 0.51 -4.93 0.66 7.99 -0.79 -4.15 117.00 123.06 1vhk n LEU 87 Ca 0.17 0.46 -0.26 0.00 -0.01 0.00 0.00 56.01 56.37 1vhk n LEU 87 Cb 0.42 -0.63 0.08 0.00 -0.11 0.00 0.00 43.42 43.17 1vhk n LEU 87 CO 0.64 -0.54 0.66 -2.16 -1.51 0.00 0.00 177.39 174.47 1vhk s PRO 88 N 4.33 2.08 0.25 3.23 0.04 -1.26 -4.55 135.00 139.12 1vhk s PRO 88 Ca 0.85 -0.21 -0.02 0.00 0.04 0.00 0.00 61.00 61.66 1vhk s PRO 88 Cb -1.05 -2.12 0.05 0.00 0.04 0.00 0.00 34.50 31.43 1vhk s PRO 88 CO 0.46 -1.36 0.34 0.36 0.04 0.00 0.00 177.00 176.84 1vhk n LYS 89 N -3.03 0.13 0.00 4.56 2.85 -1.26 -4.81 118.16 116.60 1vhk n LYS 89 Ca 0.08 -0.76 0.00 0.00 -1.05 0.00 0.00 58.31 56.58 1vhk n LYS 89 Cb 0.61 -0.28 0.00 0.00 -0.65 0.00 0.00 35.03 34.71 1vhk n LYS 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vhk n GLY 90 N 2.56 2.37 1.59 2.58 0.00 -1.26 -2.30 105.19 110.73 1vhk n GLY 90 Ca 0.05 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 1vhk n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vhk n ASP 91 N 0.64 4.06 0.25 1.61 8.00 -1.26 -4.79 116.55 125.06 1vhk n ASP 91 Ca 0.00 -3.80 0.12 0.00 0.71 0.00 0.00 54.79 51.82 1vhk n ASP 91 Cb 0.00 -0.50 0.61 0.00 -0.02 0.00 0.00 41.12 41.22 1vhk n ASP 91 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1vhk h LYS 92 N 1.70 0.00 -0.35 -1.24 1.57 -1.77 -2.66 116.57 113.81 1vhk h LYS 92 Ca 0.29 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.97 1vhk h LYS 92 Cb 1.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 1vhk h LYS 92 CO 0.61 0.16 -0.17 1.25 -0.57 0.00 0.00 179.45 180.73 1vhk h LEU 93 N 0.00 0.65 -0.81 2.94 6.46 -1.87 -0.25 115.31 122.43 1vhk h LEU 93 Ca -0.00 -0.20 -0.09 0.00 -0.12 0.00 0.00 57.88 57.47 1vhk h LEU 93 Cb 0.54 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1vhk h LEU 93 CO 0.02 0.83 -0.04 -0.33 -0.62 0.00 0.00 178.44 178.30 1vhk h GLU 94 N 0.59 0.85 -0.39 1.25 5.08 -1.87 -0.11 114.58 119.98 1vhk h GLU 94 Ca 0.09 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 1vhk h GLU 94 Cb 0.62 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1vhk h GLU 94 CO 0.04 0.88 -0.24 2.35 -1.00 0.00 0.00 179.01 181.04 1vhk h TRP 95 N 0.78 0.92 -0.47 4.33 7.01 -1.50 0.40 115.95 127.43 1vhk h TRP 95 Ca 0.14 -0.22 -0.09 0.00 2.11 0.00 0.00 58.89 60.83 1vhk h TRP 95 Cb 0.53 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 1vhk h TRP 95 CO 0.03 0.96 -0.08 0.82 -2.79 0.00 0.00 178.44 177.38 1vhk h ILE 96 N 0.69 1.26 -0.06 2.65 2.04 -0.64 -0.19 117.51 123.26 1vhk h ILE 96 Ca 0.09 -1.14 -0.08 0.00 1.00 0.00 0.00 64.86 64.73 1vhk h ILE 96 Cb 0.77 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1vhk h ILE 96 CO 0.06 0.40 -0.26 0.40 0.00 0.00 0.00 178.15 178.75 1vhk h ILE 97 N 0.75 1.44 0.83 -0.67 2.04 -0.71 -1.48 117.51 119.72 1vhk h ILE 97 Ca 0.13 -1.69 -0.04 0.00 1.00 0.00 0.00 64.86 64.26 1vhk h ILE 97 Cb 0.57 2.36 0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1vhk h ILE 97 CO 0.03 0.48 -0.40 -0.61 0.00 0.00 0.00 178.15 177.65 1vhk h GLN 98 N -0.24 -1.08 -0.73 2.37 4.15 -0.83 -0.05 115.11 118.71 1vhk h GLN 98 Ca -0.02 0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 1vhk h GLN 98 Cb 0.91 0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.81 1vhk h GLN 98 CO 0.05 -0.72 0.24 0.87 -1.93 0.00 0.00 178.83 177.34 1vhk h LYS 99 N -1.14 1.12 -0.69 1.69 1.79 -1.14 -1.78 116.57 116.42 1vhk h LYS 99 Ca -0.11 -0.24 0.15 0.00 -2.18 0.00 0.00 60.65 58.27 1vhk h LYS 99 Cb 0.86 -0.16 -0.11 0.00 -1.58 0.00 0.00 32.23 31.23 1vhk h LYS 99 CO 0.19 0.95 0.05 0.78 -1.08 0.00 0.00 179.45 180.34 1vhk h GLY 100 N 1.07 0.80 0.78 3.86 0.00 -1.26 0.34 103.07 108.66 1vhk h GLY 100 Ca 0.24 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1vhk h GLY 100 CO -0.01 -0.23 0.01 -0.84 0.00 0.00 0.00 176.54 175.47 1vhk h THR 101 N 0.15 1.24 -0.60 4.70 2.02 -0.43 -1.06 112.91 118.94 1vhk h THR 101 Ca 0.37 -0.78 0.12 0.00 0.77 0.00 0.00 66.41 66.90 1vhk h THR 101 Cb 0.63 1.53 -0.10 0.00 -1.74 0.00 0.00 68.15 68.46 1vhk h THR 101 CO -0.56 0.23 -0.02 -0.33 0.37 0.00 0.00 175.52 175.20 1vhk h GLU 102 N -0.05 0.09 0.00 6.66 5.08 0.04 -0.21 114.58 126.20 1vhk h GLU 102 Ca 0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1vhk h GLU 102 Cb 0.34 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1vhk h GLU 102 CO 0.01 0.06 0.00 1.28 -1.00 0.00 0.00 179.01 179.36 1vhk n LEU 103 N -5.29 0.00 0.00 1.33 4.77 0.94 -4.88 117.00 113.87 1vhk n LEU 103 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1vhk n LEU 103 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1vhk n LEU 103 CO 0.11 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1vhk n GLY 104 N 0.23 0.61 3.58 -0.72 0.00 -0.09 -4.72 105.19 104.07 1vhk n GLY 104 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1vhk n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vhk n ALA 105 N -1.35 -0.25 -0.01 4.61 0.00 -0.42 -4.60 120.51 118.49 1vhk n ALA 105 Ca 0.00 0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.64 1vhk n ALA 105 Cb 0.00 -2.01 -0.14 0.00 0.00 0.00 0.00 19.45 17.31 1vhk n ALA 105 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1vhk h HIS 106 N 1.60 0.02 -2.12 0.00 2.76 -0.26 -3.44 115.15 113.70 1vhk h HIS 106 Ca -0.42 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 57.84 1vhk h HIS 106 Cb 1.35 -0.00 -0.17 0.00 1.55 0.00 0.00 27.41 30.14 1vhk h HIS 106 CO 0.44 1.03 0.50 0.00 -1.30 0.00 0.00 177.93 178.60 1vhk s ALA 107 N -2.61 -1.85 0.02 5.26 0.00 -1.10 -3.64 121.76 117.84 1vhk s ALA 107 Ca -0.04 1.14 0.09 0.00 0.00 0.00 0.00 51.96 53.14 1vhk s ALA 107 Cb 0.08 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1vhk s ALA 107 CO 0.82 -0.61 -0.25 -0.06 0.00 0.00 0.00 175.76 175.66 1vhk s PHE 108 N -2.68 2.24 -0.33 0.00 0.08 0.10 -1.92 117.98 115.48 1vhk s PHE 108 Ca 0.03 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 1vhk s PHE 108 Cb -0.01 -1.37 0.11 0.00 -0.57 0.00 0.00 43.02 41.18 1vhk s PHE 108 CO -0.06 0.07 0.13 0.42 -0.10 0.00 0.00 175.22 175.68 1vhk s ILE 109 N -0.73 0.65 0.38 0.64 1.01 0.11 -4.45 121.20 118.80 1vhk s ILE 109 Ca 0.11 -1.43 -0.24 0.00 0.00 0.00 0.00 60.65 59.09 1vhk s ILE 109 Cb -0.10 -1.49 -0.10 0.00 0.01 0.00 0.00 42.46 40.78 1vhk s ILE 109 CO 0.01 -0.75 0.99 -2.84 0.00 0.00 0.00 174.94 172.35 1vhk s PRO 110 N 1.52 4.32 -0.03 2.79 0.02 -1.26 -1.78 135.00 140.57 1vhk s PRO 110 Ca 0.11 1.34 -0.14 0.00 0.02 0.00 0.00 61.00 62.33 1vhk s PRO 110 Cb -0.18 -2.52 0.02 0.00 0.02 0.00 0.00 34.50 31.84 1vhk s PRO 110 CO -0.22 0.03 0.31 -0.59 -0.33 0.00 0.00 177.00 176.20 1vhk s PHE 111 N -1.79 -0.21 0.10 6.54 -0.71 -0.93 -0.03 117.98 120.95 1vhk s PHE 111 Ca 0.57 0.35 -0.31 0.00 -1.04 0.00 0.00 56.93 56.50 1vhk s PHE 111 Cb -0.17 0.10 -0.08 0.00 -1.21 0.00 0.00 43.02 41.66 1vhk s PHE 111 CO 0.22 -0.36 1.44 -1.14 -1.34 0.00 0.00 175.22 174.04 1vhk s GLN 112 N -1.11 4.29 0.17 1.99 2.00 0.31 -1.89 119.66 125.42 1vhk s GLN 112 Ca -0.12 2.11 0.10 0.00 -2.00 0.00 0.00 55.36 55.46 1vhk s GLN 112 Cb -0.05 -3.32 -0.04 0.00 0.80 0.00 0.00 33.01 30.40 1vhk s GLN 112 CO 0.04 -0.50 -0.18 0.00 -0.50 0.00 0.00 175.29 174.14 1vhk s ALA 113 N 1.44 2.70 0.26 1.58 0.00 -1.26 -3.46 121.76 123.02 1vhk s ALA 113 Ca 0.66 -1.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 1vhk s ALA 113 Cb -0.37 -0.54 0.56 0.00 0.00 0.00 0.00 23.12 22.77 1vhk s ALA 113 CO 0.30 0.48 1.65 0.00 0.00 0.00 0.00 175.76 178.19 1vhk h ALA 114 N 3.24 1.02 -0.16 0.00 0.00 -1.95 1.01 119.26 122.42 1vhk h ALA 114 Ca -0.47 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1vhk h ALA 114 Cb 1.20 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1vhk h ALA 114 CO 0.49 -0.43 0.00 0.54 0.00 0.00 0.00 179.25 179.86 1vhk n ARG 115 N -5.27 1.78 -1.72 0.00 1.74 -1.26 -4.85 116.66 107.08 1vhk n ARG 115 Ca 0.17 -1.17 -0.43 0.00 -0.77 0.00 0.00 57.85 55.65 1vhk n ARG 115 Cb 0.56 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 1vhk n ARG 115 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1vhk s SER 116 N -1.61 5.60 0.58 0.55 0.01 0.35 -4.53 113.70 114.65 1vhk s SER 116 Ca 0.33 1.75 0.37 0.00 1.31 0.00 0.00 55.95 59.70 1vhk s SER 116 Cb 0.18 -2.52 1.66 0.00 0.21 0.00 0.00 66.02 65.56 1vhk s SER 116 CO 0.27 -1.87 2.09 -0.37 0.41 0.00 0.00 173.24 173.77 1vhk h VAL 117 N 7.02 0.00 -0.05 3.43 -1.51 -1.85 -3.45 116.25 119.84 1vhk h VAL 117 Ca -0.39 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 1vhk h VAL 117 Cb 1.22 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 1vhk h VAL 117 CO 0.98 0.00 0.00 1.33 -1.23 0.00 0.00 177.57 178.65 1vhk n VAL 118 N -3.06 0.00 0.00 7.19 0.24 -1.26 -5.13 118.33 116.31 1vhk n VAL 118 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vhk n VAL 118 Cb 0.23 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 1vhk n VAL 118 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1vhk n LYS 128 N 0.00 0.00 0.29 7.34 4.76 -1.26 -4.97 118.16 124.31 1vhk n LYS 128 Ca 0.00 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.60 1vhk n LYS 128 Cb 0.00 0.00 0.86 0.00 -1.84 0.00 0.00 35.03 34.05 1vhk n LYS 128 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vhk h ARG 129 N 0.00 0.00 0.00 1.97 -0.00 -2.00 -0.99 114.38 113.36 1vhk h ARG 129 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.39 1vhk h ARG 129 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 1vhk h ARG 129 CO 0.00 0.06 -0.45 0.93 0.00 0.00 0.00 179.97 180.51 1vhk h GLU 130 N 0.00 0.00 0.07 0.04 5.08 -2.00 -2.42 114.58 115.35 1vhk h GLU 130 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1vhk h GLU 130 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1vhk h GLU 130 CO 0.01 0.45 -1.41 -0.09 -1.00 0.00 0.00 179.01 176.96 1vhk h ARG 131 N 0.00 0.14 -0.35 2.33 2.43 -1.69 -3.16 114.38 114.08 1vhk h ARG 131 Ca -0.00 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1vhk h ARG 131 Cb 1.20 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 1vhk h ARG 131 CO 0.06 0.98 0.19 -1.49 -1.51 0.00 0.00 179.97 178.20 1vhk h TRP 132 N 0.04 0.48 -0.59 2.20 6.55 -1.21 0.64 115.95 124.06 1vhk h TRP 132 Ca -0.19 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.63 1vhk h TRP 132 Cb 1.95 -0.15 -0.03 0.00 -0.86 0.00 0.00 29.16 30.07 1vhk h TRP 132 CO 0.04 0.38 0.33 1.15 -1.05 0.00 0.00 178.44 179.28 1vhk h THR 133 N 0.44 1.18 -0.27 1.49 2.02 -1.55 -1.69 112.91 114.53 1vhk h THR 133 Ca 0.12 -0.44 -0.19 0.00 0.77 0.00 0.00 66.41 66.67 1vhk h THR 133 Cb 0.05 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1vhk h THR 133 CO -0.02 0.19 -0.59 0.50 0.37 0.00 0.00 175.52 175.98 1vhk h LYS 134 N 0.81 0.88 -0.29 6.66 3.64 -1.41 -2.54 116.57 124.32 1vhk h LYS 134 Ca 0.21 -0.58 -0.08 0.00 -1.27 0.00 0.00 60.65 58.93 1vhk h LYS 134 Cb 0.02 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1vhk h LYS 134 CO -0.04 1.21 -0.18 0.82 -2.27 0.00 0.00 179.45 179.00 1vhk h ILE 135 N 0.66 1.25 -0.19 2.00 2.04 -0.36 -2.39 117.51 120.52 1vhk h ILE 135 Ca 0.00 -1.13 -0.18 0.00 1.00 0.00 0.00 64.86 64.55 1vhk h ILE 135 Cb 1.20 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1vhk h ILE 135 CO 0.13 0.37 -0.61 0.00 0.00 0.00 0.00 178.15 178.03 1vhk h ALA 136 N 1.35 0.57 -0.47 1.87 0.00 -1.31 -1.90 119.26 119.37 1vhk h ALA 136 Ca 0.08 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 1vhk h ALA 136 Cb 0.57 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1vhk h ALA 136 CO 0.04 0.70 -0.23 -0.22 0.00 0.00 0.00 179.25 179.54 1vhk h LYS 137 N 0.48 0.97 -0.08 0.00 3.64 -1.25 -1.06 116.57 119.27 1vhk h LYS 137 Ca -0.01 -0.42 -0.15 0.00 -1.27 0.00 0.00 60.65 58.81 1vhk h LYS 137 Cb 1.19 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1vhk h LYS 137 CO 0.12 1.09 -0.54 1.49 -2.27 0.00 0.00 179.45 179.34 1vhk h GLU 138 N 0.83 0.50 -0.92 1.90 4.22 -1.40 -0.73 114.58 118.99 1vhk h GLU 138 Ca 0.11 -0.44 0.04 0.00 0.08 0.00 0.00 59.36 59.15 1vhk h GLU 138 Cb 0.80 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 1vhk h GLU 138 CO 0.07 1.07 0.59 0.00 -2.18 0.00 0.00 179.01 178.56 1vhk h ALA 139 N 0.44 1.22 -0.93 2.92 0.00 -1.39 0.13 119.26 121.65 1vhk h ALA 139 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1vhk h ALA 139 Cb 1.20 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1vhk h ALA 139 CO 0.11 0.45 0.57 0.00 0.00 0.00 0.00 179.25 180.38 1vhk h ALA 140 N 1.38 1.27 -0.14 0.00 0.00 -1.02 -1.03 119.26 119.73 1vhk h ALA 140 Ca 0.37 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1vhk h ALA 140 Cb 0.02 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 1vhk h ALA 140 CO -0.13 0.64 -0.08 0.93 0.00 0.00 0.00 179.25 180.61 1vhk h GLU 141 N 1.27 0.30 0.00 0.00 5.08 0.25 -2.39 114.58 119.09 1vhk h GLU 141 Ca 0.33 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1vhk h GLU 141 Cb -0.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1vhk h GLU 141 CO -0.07 0.65 0.00 1.96 -1.00 0.00 0.00 179.01 180.55 1vhk h GLN 142 N -0.05 0.00 -0.02 2.33 1.08 -0.58 -3.16 115.11 114.71 1vhk h GLN 142 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1vhk h GLN 142 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1vhk h GLN 142 CO 0.02 0.00 -0.07 -1.13 -0.95 0.00 0.00 178.83 176.70 1vhk n SER 143 N -2.80 2.46 -2.38 1.46 3.41 -0.41 -4.97 113.62 110.39 1vhk n SER 143 Ca 0.02 -1.73 -0.14 0.00 -0.26 0.00 0.00 58.87 56.76 1vhk n SER 143 Cb 0.34 0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.43 1vhk n SER 143 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1vhk n TYR 144 N 0.87 -1.69 -1.80 7.33 0.53 -1.15 -5.00 117.16 116.25 1vhk n TYR 144 Ca 0.11 0.61 -0.32 0.00 -1.02 0.00 0.00 57.90 57.27 1vhk n TYR 144 Cb 0.46 -3.50 0.03 0.00 -1.03 0.00 0.00 39.34 35.31 1vhk n TYR 144 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 1vhk s ARG 145 N -5.66 3.10 0.00 -0.72 1.81 -0.91 -4.67 118.95 111.90 1vhk s ARG 145 Ca 0.31 1.10 0.25 0.00 -1.72 0.00 0.00 55.73 55.66 1vhk s ARG 145 Cb -0.13 -2.01 0.47 0.00 -0.45 0.00 0.00 34.95 32.82 1vhk s ARG 145 CO 0.44 -0.98 1.41 0.09 -0.68 0.00 0.00 175.30 175.58 1vhk n ASN 146 N -2.57 2.33 -3.69 0.23 4.13 -1.26 -4.92 115.26 109.51 1vhk n ASN 146 Ca 0.08 -1.74 -0.12 0.00 1.68 0.00 0.00 54.58 54.48 1vhk n ASN 146 Cb 0.53 0.05 -0.06 0.00 -1.54 0.00 0.00 39.78 38.76 1vhk n ASN 146 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1vhk s GLU 147 N -2.07 0.91 -0.28 3.52 -1.05 -1.26 -3.90 118.70 114.56 1vhk s GLU 147 Ca 0.30 -0.46 -0.10 0.00 -0.15 0.00 0.00 54.97 54.56 1vhk s GLU 147 Cb 0.20 0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 34.26 1vhk s GLU 147 CO 0.35 -0.31 0.15 0.08 0.95 0.00 0.00 175.26 176.47 1vhk s VAL 148 N -2.71 4.80 0.32 1.83 1.01 -1.26 -4.93 120.40 119.46 1vhk s VAL 148 Ca -0.04 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 1vhk s VAL 148 Cb -0.00 -3.33 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 1vhk s VAL 148 CO -0.04 0.21 1.45 -2.84 0.00 0.00 0.00 175.10 173.88 1vhk s PRO 149 N 1.67 4.21 0.12 2.72 0.02 -1.26 -4.98 135.00 137.51 1vhk s PRO 149 Ca 0.06 2.41 -0.27 0.00 0.02 0.00 0.00 61.00 63.23 1vhk s PRO 149 Cb -0.16 -3.04 -0.07 0.00 0.02 0.00 0.00 34.50 31.25 1vhk s PRO 149 CO 0.07 -0.44 0.82 0.50 -0.33 0.00 0.00 177.00 177.63 1vhk s ARG 150 N -1.26 4.60 0.36 5.54 3.52 -1.24 -4.84 118.95 125.63 1vhk s ARG 150 Ca 0.56 1.21 0.08 0.00 -0.13 0.00 0.00 55.73 57.45 1vhk s ARG 150 Cb -0.44 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 1vhk s ARG 150 CO 0.52 0.41 0.23 0.08 -0.81 0.00 0.00 175.30 175.73 1vhk s VAL 151 N -0.58 3.06 0.05 7.11 1.01 -1.26 0.03 120.40 129.81 1vhk s VAL 151 Ca 0.39 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1vhk s VAL 151 Cb -0.23 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1vhk s VAL 151 CO 0.26 -0.14 0.16 -1.81 0.00 0.00 0.00 175.10 173.58 1vhk s ASP 153 N -3.94 6.10 0.13 3.32 -0.00 -1.26 -4.95 116.67 116.06 1vhk s ASP 153 Ca 0.41 0.21 -0.34 0.00 -0.00 0.00 0.00 52.55 52.83 1vhk s ASP 153 Cb -0.03 -1.82 -0.13 0.00 -0.00 0.00 0.00 42.92 40.93 1vhk s ASP 153 CO 0.25 0.20 1.64 1.33 -0.00 0.00 0.00 175.17 178.59 1vhk n VAL 154 N 0.53 0.10 -3.79 -1.27 0.24 -1.26 -4.52 118.33 108.37 1vhk n VAL 154 Ca -0.08 -0.02 -0.36 0.00 -2.04 0.00 0.00 64.34 61.85 1vhk n VAL 154 Cb 0.52 -1.65 -0.06 0.00 -1.47 0.00 0.00 33.84 31.18 1vhk n VAL 154 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1vhk s HIS 155 N 1.48 3.60 0.83 6.34 3.76 0.96 -4.91 115.29 127.34 1vhk s HIS 155 Ca 0.81 0.58 -0.11 0.00 -0.15 0.00 0.00 55.06 56.18 1vhk s HIS 155 Cb -0.66 -1.99 0.09 0.00 1.11 0.00 0.00 32.58 31.13 1vhk s HIS 155 CO 0.39 0.66 1.09 -1.54 -0.85 0.00 0.00 174.74 174.49 1vhk s SER 156 N -1.45 4.10 0.25 1.40 1.04 -1.26 0.11 113.70 117.90 1vhk s SER 156 Ca 0.23 1.52 -0.04 0.00 0.48 0.00 0.00 55.95 58.14 1vhk s SER 156 Cb -0.13 -2.23 0.36 0.00 0.10 0.00 0.00 66.02 64.12 1vhk s SER 156 CO 0.12 -2.24 1.87 0.15 0.98 0.00 0.00 173.24 174.11 1vhk h PHE 157 N -1.28 1.09 0.09 5.02 3.04 -1.92 -2.29 116.94 120.69 1vhk h PHE 157 Ca -0.47 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.50 1vhk h PHE 157 Cb 1.26 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1vhk h PHE 157 CO 0.48 0.56 -0.04 0.37 -2.02 0.00 0.00 178.31 177.66 1vhk h GLN 158 N 1.07 -0.12 -0.94 1.11 -0.00 -1.91 -2.74 115.11 111.59 1vhk h GLN 158 Ca 0.40 0.01 0.08 0.00 -0.00 0.00 0.00 58.65 59.14 1vhk h GLN 158 Cb 0.16 0.03 -0.07 0.00 0.00 0.00 0.00 27.48 27.59 1vhk h GLN 158 CO -0.17 -0.05 0.58 1.96 0.00 0.00 0.00 178.83 181.15 1vhk h GLN 159 N -0.16 0.98 -0.20 1.69 4.20 -1.79 -1.34 115.11 118.50 1vhk h GLN 159 Ca -0.01 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.66 1vhk h GLN 159 Cb 0.12 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1vhk h GLN 159 CO 0.02 0.65 0.05 1.25 -0.67 0.00 0.00 178.83 180.12 1vhk h LEU 160 N 1.01 0.03 -1.41 1.46 5.85 -1.33 -1.54 115.31 119.38 1vhk h LEU 160 Ca 0.43 0.03 0.23 0.00 0.84 0.00 0.00 57.88 59.40 1vhk h LEU 160 Cb 0.29 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 1vhk h LEU 160 CO -0.21 0.04 0.63 -0.07 -0.34 0.00 0.00 178.44 178.49 1vhk h LEU 161 N 0.13 0.46 -0.07 2.25 4.07 -0.95 0.59 115.31 121.79 1vhk h LEU 161 Ca 0.09 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1vhk h LEU 161 Cb 0.08 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1vhk h LEU 161 CO -0.11 0.15 0.00 0.00 -1.08 0.00 0.00 178.44 177.40 1vhk n GLN 162 N -4.57 0.22 -1.22 1.13 3.00 -0.62 -4.60 117.38 110.72 1vhk n GLN 162 Ca 0.22 0.21 -0.24 0.00 -0.01 0.00 0.00 57.00 57.18 1vhk n GLN 162 Cb 0.76 -1.77 -0.10 0.00 0.00 0.00 0.00 30.24 29.13 1vhk n GLN 162 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1vhk n ARG 163 N -2.15 2.75 0.00 -1.09 0.63 0.21 -4.77 116.66 112.23 1vhk n ARG 163 Ca 0.05 -1.70 0.00 0.00 -0.92 0.00 0.00 57.85 55.29 1vhk n ARG 163 Cb 0.40 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.00 1vhk n ARG 163 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1vhk n GLN 165 N 2.58 0.00 0.24 -0.14 7.27 -1.26 -4.31 117.38 121.76 1vhk n GLN 165 Ca 0.56 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.76 1vhk n GLN 165 Cb 0.62 -0.50 0.41 0.00 2.41 0.00 0.00 30.24 33.19 1vhk n GLN 165 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1vhk h ASP 166 N 0.00 0.00 -2.84 1.69 3.45 -1.98 -3.46 116.42 113.28 1vhk h ASP 166 Ca 0.00 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.88 1vhk h ASP 166 Cb 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 1vhk h ASP 166 CO 0.00 0.08 -0.44 -0.36 -1.57 0.00 0.00 179.24 176.95 1vhk s PHE 167 N -3.45 3.50 0.18 4.55 0.40 -1.26 -5.01 117.98 116.90 1vhk s PHE 167 Ca 0.03 0.27 -0.12 0.00 -0.60 0.00 0.00 56.93 56.51 1vhk s PHE 167 Cb 0.08 -1.78 0.16 0.00 0.51 0.00 0.00 43.02 41.98 1vhk s PHE 167 CO 0.62 0.51 1.78 -0.44 0.70 0.00 0.00 175.22 178.40 1vhk h ASP 168 N 2.60 0.37 -5.21 1.36 3.45 -1.85 -3.45 116.42 113.70 1vhk h ASP 168 Ca -0.47 0.03 -0.10 0.00 0.43 0.00 0.00 57.03 56.92 1vhk h ASP 168 Cb 1.18 -0.04 -0.14 0.00 -0.56 0.00 0.00 39.33 39.77 1vhk h ASP 168 CO 0.72 0.26 -0.46 -0.54 -1.57 0.00 0.00 179.24 177.64 1vhk s LYS 169 N -6.12 0.83 -0.06 3.56 -0.14 -0.95 -5.02 119.74 111.83 1vhk s LYS 169 Ca -0.13 -1.09 -0.02 0.00 -1.36 0.00 0.00 55.97 53.37 1vhk s LYS 169 Cb 0.14 0.31 0.03 0.00 -1.68 0.00 0.00 37.83 36.63 1vhk s LYS 169 CO 0.74 -0.25 0.04 0.00 -0.76 0.00 0.00 175.35 175.12 1vhk s VAL 171 N 2.08 4.51 -0.26 0.00 -7.23 0.85 -1.62 120.40 118.74 1vhk s VAL 171 Ca 0.05 -0.42 -0.03 0.00 -1.81 0.00 0.00 61.98 59.76 1vhk s VAL 171 Cb -0.12 -3.02 0.02 0.00 0.56 0.00 0.00 36.38 33.82 1vhk s VAL 171 CO -0.04 0.41 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.44 1vhk s VAL 172 N -1.11 3.17 -0.63 1.32 1.01 -0.68 -1.59 120.40 121.89 1vhk s VAL 172 Ca 0.20 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 1vhk s VAL 172 Cb -0.12 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.67 1vhk s VAL 172 CO 0.11 0.17 1.37 0.00 0.00 0.00 0.00 175.10 176.74 1vhk s ALA 173 N 1.37 2.77 -0.14 5.51 0.00 -0.94 -0.41 121.76 129.91 1vhk s ALA 173 Ca 0.01 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 1vhk s ALA 173 Cb -0.17 -4.16 0.12 0.00 0.00 0.00 0.00 23.12 18.91 1vhk s ALA 173 CO -0.03 -3.09 0.95 -0.47 0.00 0.00 0.00 175.76 173.12 1vhk s TYR 174 N 6.01 -0.41 0.01 0.00 5.04 -0.62 -4.62 117.35 122.77 1vhk s TYR 174 Ca 0.46 0.70 -0.01 0.00 -2.44 0.00 0.00 57.07 55.78 1vhk s TYR 174 Cb -0.09 0.44 -0.01 0.00 0.35 0.00 0.00 41.96 42.65 1vhk s TYR 174 CO 0.21 -0.38 0.00 -2.00 -1.34 0.00 0.00 175.55 172.04 1vhk s GLU 175 N -1.14 0.30 -0.19 4.97 2.12 -1.26 -3.30 118.70 120.20 1vhk s GLU 175 Ca -0.03 -0.50 0.19 0.00 0.36 0.00 0.00 54.97 54.99 1vhk s GLU 175 Cb -0.00 0.11 0.47 0.00 0.26 0.00 0.00 34.13 34.96 1vhk s GLU 175 CO 0.03 -0.05 1.16 0.43 -0.54 0.00 0.00 175.26 176.28 1vhk n SER 184 N 1.76 2.04 0.20 -1.70 7.64 -1.26 -5.12 113.62 117.18 1vhk n SER 184 Ca -0.22 -2.57 0.05 0.00 1.01 0.00 0.00 58.87 57.13 1vhk n SER 184 Cb 0.56 -0.41 0.42 0.00 -1.01 0.00 0.00 64.21 63.76 1vhk n SER 184 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vhk h ALA 185 N 1.87 1.27 -0.07 -0.43 0.00 -1.91 -3.36 119.26 116.64 1vhk h ALA 185 Ca -0.05 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1vhk h ALA 185 Cb 1.46 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1vhk h ALA 185 CO 0.24 0.41 -0.51 0.35 0.00 0.00 0.00 179.25 179.75 1vhk h PHE 186 N 0.00 -1.50 -0.26 0.00 3.57 -1.91 0.16 116.94 117.00 1vhk h PHE 186 Ca -0.00 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1vhk h PHE 186 Cb 0.66 0.66 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 1vhk h PHE 186 CO 0.00 -0.53 0.12 0.66 -2.23 0.00 0.00 178.31 176.33 1vhk h SER 187 N -0.59 0.31 0.21 0.41 4.64 -1.95 -1.13 113.55 115.45 1vhk h SER 187 Ca 0.02 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1vhk h SER 187 Cb 0.66 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1vhk h SER 187 CO -0.38 0.27 -0.10 0.00 -0.87 0.00 0.00 176.83 175.75 1vhk h ALA 188 N 1.78 -0.28 -0.15 5.18 0.00 -1.53 0.29 119.26 124.55 1vhk h ALA 188 Ca 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1vhk h ALA 188 Cb 0.04 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1vhk h ALA 188 CO -0.01 -0.53 0.06 -0.84 0.00 0.00 0.00 179.25 177.93 1vhk h ILE 189 N -0.53 1.16 -0.96 0.00 -0.00 -0.42 -1.67 117.51 115.07 1vhk h ILE 189 Ca -0.03 -0.47 0.00 0.00 -0.00 0.00 0.00 64.86 64.36 1vhk h ILE 189 Cb 0.40 1.19 -0.05 0.00 -0.00 0.00 0.00 36.82 38.36 1vhk h ILE 189 CO 0.05 0.15 0.60 0.58 -0.00 0.00 0.00 178.15 179.53 1vhk h VAL 190 N 0.09 1.26 0.00 0.16 2.07 -1.22 -0.53 116.25 118.08 1vhk h VAL 190 Ca 0.05 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1vhk h VAL 190 Cb 0.18 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1vhk h VAL 190 CO -0.00 0.26 0.00 -1.54 0.02 0.00 0.00 177.57 176.31 1vhk n SER 191 N -4.37 0.21 -0.92 0.57 3.41 0.09 -2.72 113.62 109.88 1vhk n SER 191 Ca 0.11 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 1vhk n SER 191 Cb 0.04 -0.58 0.18 0.00 -0.26 0.00 0.00 64.21 63.59 1vhk n SER 191 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1vhk n SER 192 N -1.70 2.86 -4.78 4.04 3.41 -0.24 -4.93 113.62 112.28 1vhk n SER 192 Ca 0.05 -1.93 -0.39 0.00 -0.26 0.00 0.00 58.87 56.35 1vhk n SER 192 Cb 0.30 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 1vhk n SER 192 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1vhk s LEU 193 N -1.89 4.50 0.35 1.04 1.43 -1.03 -5.07 118.68 118.03 1vhk s LEU 193 Ca 0.31 1.35 -0.07 0.00 -1.03 0.00 0.00 54.13 54.69 1vhk s LEU 193 Cb 0.21 -3.04 -0.06 0.00 0.03 0.00 0.00 46.19 43.33 1vhk s LEU 193 CO 0.31 0.18 0.66 -2.16 0.23 0.00 0.00 176.35 175.57 1vhk s PRO 194 N -0.72 3.68 0.05 1.29 0.05 -1.26 -4.98 135.00 133.11 1vhk s PRO 194 Ca 0.32 0.21 -0.38 0.00 0.05 0.00 0.00 61.00 61.20 1vhk s PRO 194 Cb -0.20 -2.52 -0.17 0.00 0.05 0.00 0.00 34.50 31.66 1vhk s PRO 194 CO 0.21 0.07 1.30 1.17 0.05 0.00 0.00 177.00 179.80 1vhk n LYS 195 N -1.22 0.90 -0.06 4.56 4.81 -1.26 -1.00 118.16 124.88 1vhk n LYS 195 Ca 0.00 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1vhk n LYS 195 Cb 0.54 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.65 1vhk n LYS 195 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vhk n GLY 196 N 2.37 1.47 3.85 3.14 0.00 -0.33 -5.03 105.19 110.66 1vhk n GLY 196 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1vhk n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vhk s SER 197 N -3.04 4.93 -0.07 1.61 1.04 -0.18 -4.66 113.70 113.33 1vhk s SER 197 Ca 0.00 1.19 -0.00 0.00 0.48 0.00 0.00 55.95 57.62 1vhk s SER 197 Cb 0.00 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 64.15 1vhk s SER 197 CO 0.00 -1.68 -0.04 -0.94 0.98 0.00 0.00 173.24 171.56 1vhk s SER 198 N -4.16 4.91 -0.06 7.02 1.04 -1.26 -0.93 113.70 120.27 1vhk s SER 198 Ca 0.60 0.05 0.01 0.00 0.48 0.00 0.00 55.95 57.08 1vhk s SER 198 Cb -0.13 -1.30 0.02 0.00 0.10 0.00 0.00 66.02 64.71 1vhk s SER 198 CO 0.53 0.37 -0.05 -0.22 0.98 0.00 0.00 173.24 174.84 1vhk s LEU 199 N -0.87 1.24 -0.18 2.42 2.96 0.17 -2.25 118.68 122.17 1vhk s LEU 199 Ca 0.13 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.80 1vhk s LEU 199 Cb -0.11 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.99 1vhk s LEU 199 CO 0.02 -0.07 0.08 -0.22 -1.32 0.00 0.00 176.35 174.84 1vhk s LEU 200 N 1.13 3.95 -0.16 -0.68 2.96 -0.38 0.51 118.68 126.01 1vhk s LEU 200 Ca -0.07 0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1vhk s LEU 200 Cb -0.14 -2.00 0.04 0.00 0.50 0.00 0.00 46.19 44.59 1vhk s LEU 200 CO -0.01 0.20 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.52 1vhk s ILE 201 N 0.25 1.17 -0.11 6.68 1.01 -0.31 -0.10 121.20 129.80 1vhk s ILE 201 Ca 0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 1vhk s ILE 201 Cb -0.12 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1vhk s ILE 201 CO -0.00 0.17 0.01 0.68 0.00 0.00 0.00 174.94 175.80 1vhk s VAL 202 N 1.61 4.40 0.19 2.92 -7.23 -0.62 -0.63 120.40 121.04 1vhk s VAL 202 Ca 0.01 -0.21 0.10 0.00 -1.81 0.00 0.00 61.98 60.08 1vhk s VAL 202 Cb -0.15 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1vhk s VAL 202 CO -0.08 0.58 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.75 1vhk s PHE 203 N -0.63 2.44 0.67 2.82 0.40 0.31 -2.23 117.98 121.77 1vhk s PHE 203 Ca 0.10 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.16 1vhk s PHE 203 Cb -0.12 -1.21 0.11 0.00 0.51 0.00 0.00 43.02 42.32 1vhk s PHE 203 CO 0.02 0.50 0.92 0.20 0.70 0.00 0.00 175.22 177.56 1vhk s GLY 204 N -2.72 1.76 0.52 4.36 0.00 -1.26 -1.62 107.32 108.37 1vhk s GLY 204 Ca 0.22 -1.84 -0.04 0.00 0.00 0.00 0.00 44.72 43.06 1vhk s GLY 204 CO 0.12 -1.32 0.71 -1.55 0.00 0.00 0.00 173.10 171.06 1vhk n PRO 205 N -2.63 -0.20 -0.35 2.90 -0.04 -1.26 -4.45 135.00 128.98 1vhk n PRO 205 Ca 0.15 -1.59 0.07 0.00 -0.04 0.00 0.00 63.50 62.09 1vhk n PRO 205 Cb 0.61 -0.58 0.16 0.00 -0.04 0.00 0.00 33.50 33.64 1vhk n PRO 205 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1vhk h GLU 206 N 0.00 0.00 -0.90 0.54 3.07 -1.88 0.97 114.58 116.39 1vhk h GLU 206 Ca -0.23 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1vhk h GLU 206 Cb 0.77 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.64 1vhk h GLU 206 CO 0.22 0.00 0.56 0.78 -1.40 0.00 0.00 179.01 179.16 1vhk h GLY 207 N 0.00 1.29 0.00 -3.84 0.00 -1.93 -3.49 103.07 95.10 1vhk h GLY 207 Ca 0.49 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1vhk h GLY 207 CO -0.99 0.50 0.00 0.61 0.00 0.00 0.00 176.54 176.67 1vhk n GLY 208 N -1.30 2.43 3.61 4.60 0.00 0.34 -5.01 105.19 109.86 1vhk n GLY 208 Ca 0.10 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 1vhk n GLY 208 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vhk s LEU 209 N 0.00 2.02 0.19 0.99 1.43 -1.26 -4.50 118.68 117.55 1vhk s LEU 209 Ca 0.00 1.85 0.05 0.00 -1.03 0.00 0.00 54.13 55.00 1vhk s LEU 209 Cb 0.00 -4.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.12 1vhk s LEU 209 CO 0.00 -3.44 0.20 0.28 0.23 0.00 0.00 176.35 173.62 1vhk s THR 210 N -2.62 4.69 0.22 5.49 -1.32 -1.26 -4.97 115.64 115.87 1vhk s THR 210 Ca 0.67 -1.08 -0.09 0.00 -1.21 0.00 0.00 61.69 59.98 1vhk s THR 210 Cb -0.23 -3.45 0.17 0.00 -1.51 0.00 0.00 72.50 67.49 1vhk s THR 210 CO 0.60 -0.18 1.72 -0.33 -2.21 0.00 0.00 174.62 174.22 1vhk h GLU 211 N 2.03 0.32 0.04 7.08 5.08 -2.00 0.79 114.58 127.92 1vhk h GLU 211 Ca -0.48 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 57.88 1vhk h GLU 211 Cb 1.21 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1vhk h GLU 211 CO 0.63 0.21 -0.21 0.00 -1.00 0.00 0.00 179.01 178.65 1vhk h ALA 212 N 1.48 -0.30 -0.58 3.43 0.00 -2.00 -1.87 119.26 119.43 1vhk h ALA 212 Ca 0.33 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.32 1vhk h ALA 212 Cb 0.48 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 1vhk h ALA 212 CO -0.38 -0.72 0.22 0.93 0.00 0.00 0.00 179.25 179.30 1vhk h GLU 213 N -0.35 0.39 0.05 0.00 5.08 -1.64 -1.99 114.58 116.12 1vhk h GLU 213 Ca 0.05 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1vhk h GLU 213 Cb 0.41 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1vhk h GLU 213 CO -0.17 0.26 -0.07 0.28 -1.00 0.00 0.00 179.01 178.31 1vhk h VAL 214 N 0.40 0.84 -0.79 3.13 2.07 -0.58 -0.86 116.25 120.46 1vhk h VAL 214 Ca 0.29 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.99 1vhk h VAL 214 Cb 0.34 0.84 -0.13 0.00 -1.52 0.00 0.00 31.29 30.81 1vhk h VAL 214 CO -0.28 0.00 0.07 -0.33 0.02 0.00 0.00 177.57 177.04 1vhk h GLU 215 N -0.14 0.13 -0.30 1.57 5.08 -0.65 0.38 114.58 120.65 1vhk h GLU 215 Ca 0.01 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1vhk h GLU 215 Cb 0.15 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1vhk h GLU 215 CO -0.03 0.09 -0.36 0.00 -1.00 0.00 0.00 179.01 177.71 1vhk h ARG 216 N 0.14 0.69 -0.34 2.33 2.47 -0.88 -2.56 114.38 116.23 1vhk h ARG 216 Ca 0.45 -0.33 -0.06 0.00 -1.26 0.00 0.00 59.98 58.77 1vhk h ARG 216 Cb 0.81 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.12 1vhk h ARG 216 CO -0.65 0.94 -0.02 -0.07 0.56 0.00 0.00 179.97 180.72 1vhk h LEU 217 N 0.57 0.61 -1.50 3.04 3.38 0.44 -2.84 115.31 119.01 1vhk h LEU 217 Ca 0.06 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1vhk h LEU 217 Cb 0.88 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1vhk h LEU 217 CO 0.08 0.79 -0.09 0.71 0.09 0.00 0.00 178.44 180.01 1vhk h THR 218 N 0.41 1.15 0.00 0.22 1.35 -0.28 0.64 112.91 116.41 1vhk h THR 218 Ca 0.09 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1vhk h THR 218 Cb 0.49 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1vhk h THR 218 CO 0.02 0.20 0.00 -1.84 -0.25 0.00 0.00 175.52 173.65 1vhk n GLU 219 N -4.32 0.26 -0.56 4.72 0.28 -0.97 -2.33 120.64 117.73 1vhk n GLU 219 Ca -0.01 0.24 0.05 0.00 -0.16 0.00 0.00 57.16 57.29 1vhk n GLU 219 Cb 0.23 -1.82 0.27 0.00 1.43 0.00 0.00 31.44 31.54 1vhk n GLU 219 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1vhk n GLN 220 N -2.29 3.44 -1.01 3.44 1.13 -0.36 -4.87 117.38 116.86 1vhk n GLN 220 Ca 0.05 -2.07 -0.00 0.00 -1.94 0.00 0.00 57.00 53.04 1vhk n GLN 220 Cb 0.41 -1.94 -0.00 0.00 0.11 0.00 0.00 30.24 28.82 1vhk n GLN 220 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1vhk n ASP 221 N 0.48 -3.18 -4.74 1.08 10.43 -0.98 -4.87 116.55 114.77 1vhk n ASP 221 Ca 0.18 0.01 -0.41 0.00 2.57 0.00 0.00 54.79 57.15 1vhk n ASP 221 Cb 0.83 -0.71 -0.04 0.00 1.84 0.00 0.00 41.12 43.03 1vhk n ASP 221 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1vhk s GLY 222 N -2.28 2.96 -0.21 0.44 0.00 0.07 -4.50 107.32 103.81 1vhk s GLY 222 Ca 0.00 0.77 -0.02 0.00 0.00 0.00 0.00 44.72 45.48 1vhk s GLY 222 CO 0.00 1.52 -0.11 0.14 0.00 0.00 0.00 173.10 174.65 1vhk s VAL 223 N -0.59 2.75 0.24 1.40 1.01 -0.64 -3.91 120.40 120.67 1vhk s VAL 223 Ca 0.47 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 1vhk s VAL 223 Cb -0.29 -2.23 -0.10 0.00 0.00 0.00 0.00 36.38 33.76 1vhk s VAL 223 CO 0.35 0.45 1.44 0.42 0.00 0.00 0.00 175.10 177.76 1vhk s THR 224 N 1.38 2.68 -0.01 3.92 -4.23 -1.26 -1.69 115.64 116.44 1vhk s THR 224 Ca 0.05 0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 61.11 1vhk s THR 224 Cb -0.14 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1vhk s THR 224 CO -0.08 0.09 0.05 0.00 -0.54 0.00 0.00 174.62 174.15 1vhk s GLY 226 N -0.39 2.12 -0.42 0.00 0.00 -1.24 -1.58 107.32 105.81 1vhk s GLY 226 Ca -0.05 -0.39 0.05 0.00 0.00 0.00 0.00 44.72 44.34 1vhk s GLY 226 CO 0.00 -0.26 1.22 1.04 0.00 0.00 0.00 173.10 175.10 1vhk n LEU 227 N -0.43 5.05 0.00 0.66 4.77 -1.26 -4.78 117.00 121.01 1vhk n LEU 227 Ca -0.00 -5.00 0.00 0.00 -0.03 0.00 0.00 56.01 50.98 1vhk n LEU 227 Cb 0.53 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1vhk n LEU 227 CO 0.46 2.14 0.00 0.61 -1.33 0.00 0.00 177.39 179.27 1vhk n GLY 228 N -0.58 1.75 0.06 -0.72 0.00 -1.26 -4.77 105.19 99.67 1vhk n GLY 228 Ca 0.42 -2.00 0.13 0.00 0.00 0.00 0.00 46.02 44.58 1vhk n GLY 228 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vhk n PRO 229 N 1.48 0.17 -3.17 1.61 -0.04 -1.26 -4.82 135.00 128.97 1vhk n PRO 229 Ca 0.00 0.13 -0.36 0.00 -0.04 0.00 0.00 63.50 63.22 1vhk n PRO 229 Cb 0.00 -1.68 -0.06 0.00 -0.04 0.00 0.00 33.50 31.72 1vhk n PRO 229 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1vhk s ARG 230 N -3.07 4.20 -0.16 0.54 0.52 -1.26 -5.04 118.95 114.68 1vhk s ARG 230 Ca 0.11 0.78 -0.28 0.00 -0.52 0.00 0.00 55.73 55.83 1vhk s ARG 230 Cb 0.15 -2.93 -0.01 0.00 0.52 0.00 0.00 34.95 32.68 1vhk s ARG 230 CO 0.59 0.44 0.94 0.42 0.02 0.00 0.00 175.30 177.71 1vhk s ILE 231 N -1.46 4.80 -0.09 1.52 -1.09 -1.26 -4.95 121.20 118.67 1vhk s ILE 231 Ca 0.40 1.87 -0.04 0.00 -2.23 0.00 0.00 60.65 60.65 1vhk s ILE 231 Cb -0.17 -4.24 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 1vhk s ILE 231 CO 0.21 -0.02 0.07 -0.76 -1.23 0.00 0.00 174.94 173.20 1vhk s LEU 232 N 2.29 3.96 0.76 2.97 1.02 -1.26 -5.11 118.68 123.31 1vhk s LEU 232 Ca 0.43 0.28 -0.11 0.00 0.02 0.00 0.00 54.13 54.76 1vhk s LEU 232 Cb -0.17 -1.98 0.04 0.00 0.02 0.00 0.00 46.19 44.11 1vhk s LEU 232 CO 0.13 0.38 1.08 -0.13 0.02 0.00 0.00 176.35 177.83 1vhk s ARG 233 N -1.04 2.42 0.41 1.70 0.52 -1.26 -4.71 118.95 117.00 1vhk s ARG 233 Ca 0.15 0.98 0.11 0.00 -0.52 0.00 0.00 55.73 56.46 1vhk s ARG 233 Cb -0.12 -1.93 0.94 0.00 0.52 0.00 0.00 34.95 34.37 1vhk s ARG 233 CO 0.04 -1.47 1.98 1.79 0.02 0.00 0.00 175.30 177.66 1vhk h THR 234 N -0.99 0.95 0.00 0.02 1.35 -1.89 0.14 112.91 112.48 1vhk h THR 234 Ca -0.45 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1vhk h THR 234 Cb 1.23 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1vhk h THR 234 CO 0.55 0.09 0.00 1.05 -0.25 0.00 0.00 175.52 176.96 1vhk h GLU 235 N 0.50 0.00 0.09 4.72 9.09 -1.91 -3.38 114.58 123.69 1vhk h GLU 235 Ca 0.27 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.34 1vhk h GLU 235 Cb 0.41 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.48 1vhk h GLU 235 CO -0.08 0.00 -1.89 2.41 0.05 0.00 0.00 179.01 179.50 1vhk n THR 236 N -2.76 1.70 -0.13 -1.06 -1.04 0.35 -4.37 114.28 106.97 1vhk n THR 236 Ca 0.04 -0.51 -0.06 0.00 -2.04 0.00 0.00 64.05 61.49 1vhk n THR 236 Cb 0.48 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 1vhk n THR 236 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vhk h ALA 237 N -0.09 -0.04 0.00 2.41 0.00 -1.38 -1.06 119.26 119.10 1vhk h ALA 237 Ca -0.43 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1vhk h ALA 237 Cb 1.86 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 20.27 1vhk h ALA 237 CO -0.00 -0.65 -0.14 -1.35 0.00 0.00 0.00 179.25 177.11 1vhk h PRO 238 N -0.19 0.00 -0.06 0.00 0.11 -1.79 -1.79 132.00 128.29 1vhk h PRO 238 Ca 0.20 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 1vhk h PRO 238 Cb 0.51 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1vhk h PRO 238 CO -0.55 0.14 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.24 1vhk h LEU 239 N 0.00 0.16 -0.06 2.35 4.07 -1.40 -0.61 115.31 119.82 1vhk h LEU 239 Ca -0.00 -0.51 0.04 0.00 0.08 0.00 0.00 57.88 57.49 1vhk h LEU 239 Cb 0.30 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.95 1vhk h LEU 239 CO 0.02 0.64 -0.26 0.22 -1.08 0.00 0.00 178.44 177.98 1vhk h TYR 240 N -0.31 -0.70 -0.61 1.13 3.20 -1.36 -0.73 116.97 117.59 1vhk h TYR 240 Ca 0.01 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.00 1vhk h TYR 240 Cb 0.60 0.32 -0.07 0.00 1.54 0.00 0.00 36.73 39.12 1vhk h TYR 240 CO 0.10 -0.35 0.24 0.00 -1.64 0.00 0.00 178.16 176.51 1vhk h ALA 241 N 0.50 0.79 -0.29 1.82 0.00 -1.29 0.21 119.26 120.99 1vhk h ALA 241 Ca 0.08 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 1vhk h ALA 241 Cb 0.48 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1vhk h ALA 241 CO -0.27 -0.18 -0.51 -0.07 0.00 0.00 0.00 179.25 178.22 1vhk h LEU 242 N 0.43 0.92 -0.69 0.00 -0.00 -0.67 -2.20 115.31 113.10 1vhk h LEU 242 Ca 0.31 -0.48 -0.03 0.00 -0.00 0.00 0.00 57.88 57.68 1vhk h LEU 242 Cb 0.36 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 40.73 1vhk h LEU 242 CO -0.30 1.26 0.33 0.28 -0.00 0.00 0.00 178.44 180.01 1vhk h SER 243 N 0.65 0.90 -0.49 -0.43 0.02 -0.74 -1.61 113.55 111.85 1vhk h SER 243 Ca 0.02 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1vhk h SER 243 Cb 1.11 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 1vhk h SER 243 CO 0.11 0.79 0.17 0.00 -1.14 0.00 0.00 176.83 176.76 1vhk h ALA 244 N 1.15 0.64 -0.86 3.77 0.00 -0.53 -0.97 119.26 122.46 1vhk h ALA 244 Ca 0.24 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1vhk h ALA 244 Cb 0.13 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1vhk h ALA 244 CO -0.03 0.27 0.56 0.82 0.00 0.00 0.00 179.25 180.88 1vhk h ILE 245 N 0.65 1.17 -0.79 0.00 2.04 -1.07 -0.73 117.51 118.80 1vhk h ILE 245 Ca 0.16 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1vhk h ILE 245 Cb 0.25 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.25 1vhk h ILE 245 CO -0.01 0.20 0.47 -1.28 0.00 0.00 0.00 178.15 177.53 1vhk h SER 246 N 1.11 0.95 -0.41 1.72 0.87 -0.91 0.14 113.55 117.02 1vhk h SER 246 Ca 0.33 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1vhk h SER 246 Cb -0.05 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 1vhk h SER 246 CO -0.10 0.75 0.18 0.22 -0.53 0.00 0.00 176.83 177.35 1vhk h TYR 247 N 1.08 0.62 0.15 2.24 3.20 0.19 0.16 116.97 124.61 1vhk h TYR 247 Ca 0.28 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1vhk h TYR 247 Cb -0.03 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.06 1vhk h TYR 247 CO -0.00 0.54 -0.07 0.37 -1.64 0.00 0.00 178.16 177.35 1vhk h GLN 248 N 0.53 -0.19 0.00 1.82 5.75 -1.01 -1.32 115.11 120.68 1vhk h GLN 248 Ca 0.14 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1vhk h GLN 248 Cb 0.17 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.76 1vhk h GLN 248 CO -0.01 0.22 -0.19 1.79 -2.65 0.00 0.00 178.83 177.99 1vhk h THR 249 N -0.70 0.00 0.00 2.39 1.35 -0.75 -3.13 112.91 112.07 1vhk h THR 249 Ca -0.02 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1vhk h THR 249 Cb 0.51 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1vhk h THR 249 CO 0.03 0.00 -0.92 -0.62 -0.25 0.00 0.00 175.52 173.77 1vhk n GLU 250 N -2.57 3.66 -0.03 4.72 1.02 0.54 -4.41 120.64 123.58 1vhk n GLU 250 Ca 0.04 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.05 1vhk n GLU 250 Cb 0.48 -0.96 -0.14 0.00 -0.02 0.00 0.00 31.44 30.80 1vhk n GLU 250 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1vhk n LEU 251 N -1.87 1.52 -0.06 -4.62 4.32 -0.76 -4.46 117.00 111.06 1vhk n LEU 251 Ca 0.00 0.28 -0.17 0.00 -0.02 0.00 0.00 56.01 56.10 1vhk n LEU 251 Cb 0.46 -0.30 -0.14 0.00 -1.62 0.00 0.00 43.42 41.82 1vhk n LEU 251 CO 0.00 0.59 -1.00 0.18 -1.22 0.00 0.00 177.39 175.94 1vhk n LEU 252 N -3.18 2.08 -0.92 2.23 4.77 -0.57 -5.02 117.00 116.39 1vhk n LEU 252 Ca -0.25 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 55.94 1vhk n LEU 252 Cb 1.06 -0.61 0.14 0.00 -2.33 0.00 0.00 43.42 41.68 1vhk n LEU 252 CO 0.43 0.76 0.65 0.54 -1.33 0.00 0.00 177.39 178.44