#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 0.10 -0.01 -1.09 3.52 -1.25 -0.45 118.95 119.78 1vhk s ARG 3 Ca 0.00 0.60 0.04 0.00 -0.13 0.00 0.00 55.73 56.24 1vhk s ARG 3 Cb 0.00 -0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.22 1vhk s ARG 3 CO 0.00 -0.26 -0.12 0.71 -0.81 0.00 0.00 175.30 174.82 1vhk s TYR 4 N 2.04 1.11 -0.13 5.12 1.51 -0.34 -4.87 117.35 121.79 1vhk s TYR 4 Ca -0.01 -0.22 -0.23 0.00 -1.01 0.00 0.00 57.07 55.60 1vhk s TYR 4 Cb -0.12 -0.71 -0.03 0.00 -0.11 0.00 0.00 41.96 40.99 1vhk s TYR 4 CO -0.07 -0.02 0.72 -0.06 -1.11 0.00 0.00 175.55 175.01 1vhk s PHE 5 N -0.32 3.48 0.20 2.71 0.08 -1.26 -2.06 117.98 120.81 1vhk s PHE 5 Ca 0.05 1.17 0.10 0.00 0.12 0.00 0.00 56.93 58.36 1vhk s PHE 5 Cb -0.05 -2.86 -0.04 0.00 -0.57 0.00 0.00 43.02 39.50 1vhk s PHE 5 CO -0.00 -0.06 -0.16 0.96 -0.10 0.00 0.00 175.22 175.85 1vhk s ILE 6 N 1.44 2.81 -0.12 0.64 -4.36 -0.99 -4.95 121.20 115.66 1vhk s ILE 6 Ca 0.35 -1.88 0.15 0.00 -0.26 0.00 0.00 60.65 59.01 1vhk s ILE 6 Cb -0.17 -2.39 -0.06 0.00 1.25 0.00 0.00 42.46 41.10 1vhk s ILE 6 CO 0.15 -0.15 1.12 -0.33 0.24 0.00 0.00 174.94 175.96 1vhk h GLU 7 N 2.92 0.00 -6.93 0.37 4.39 -1.94 -2.88 114.58 110.52 1vhk h GLU 7 Ca -0.46 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.69 1vhk h GLU 7 Cb 1.21 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 29.99 1vhk h GLU 7 CO 0.52 0.43 0.63 1.28 -1.16 0.00 0.00 179.01 180.71 1vhk n LEU 8 N -3.06 4.72 0.00 1.33 7.99 -1.26 -4.18 117.00 122.53 1vhk n LEU 8 Ca -0.04 1.12 -0.02 0.00 -0.01 0.00 0.00 56.01 57.05 1vhk n LEU 8 Cb 0.80 -1.57 0.02 0.00 -0.11 0.00 0.00 43.42 42.56 1vhk n LEU 8 CO 0.42 -0.33 0.07 1.07 -1.51 0.00 0.00 177.39 177.11 1vhk n THR 9 N -0.20 0.00 -2.24 -5.08 5.66 -1.26 -2.93 114.28 108.22 1vhk n THR 9 Ca 0.06 -0.09 -0.42 0.00 -3.05 0.00 0.00 64.05 60.54 1vhk n THR 9 Cb 0.41 -1.87 -0.03 0.00 -1.55 0.00 0.00 70.33 67.29 1vhk n THR 9 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1vhk s LYS 10 N -3.15 4.28 -0.03 1.09 0.00 -1.26 -4.87 119.74 115.80 1vhk s LYS 10 Ca 0.06 1.94 0.00 0.00 0.00 0.00 0.00 55.97 57.97 1vhk s LYS 10 Cb -0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 37.83 34.20 1vhk s LYS 10 CO 0.04 -0.58 -0.00 1.14 0.00 0.00 0.00 175.35 175.96 1vhk s GLN 40 N 2.47 2.85 0.00 1.78 -2.07 -1.26 -5.16 119.66 118.26 1vhk s GLN 40 Ca 0.63 -0.54 0.00 0.00 -1.82 0.00 0.00 55.36 53.63 1vhk s GLN 40 Cb -0.31 -2.71 0.00 0.00 -1.09 0.00 0.00 33.01 28.91 1vhk s GLN 40 CO 0.26 0.65 0.00 0.44 -1.32 0.00 0.00 175.29 175.32 1vhk n ILE 41 N 1.65 0.00 -4.45 3.63 -5.35 -0.67 -4.73 119.36 109.44 1vhk n ILE 41 Ca -0.16 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.08 1vhk n ILE 41 Cb 0.53 -0.12 -0.17 0.00 -1.74 0.00 0.00 39.64 38.14 1vhk n ILE 41 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1vhk s ILE 42 N -0.60 1.07 0.19 7.28 -1.09 0.41 -2.48 121.20 125.98 1vhk s ILE 42 Ca 0.00 -0.42 0.11 0.00 -2.23 0.00 0.00 60.65 58.11 1vhk s ILE 42 Cb 0.00 -1.00 -0.04 0.00 -1.58 0.00 0.00 42.46 39.83 1vhk s ILE 42 CO 0.00 0.35 -0.22 0.00 -1.23 0.00 0.00 174.94 173.84 1vhk n SER 45 N 5.15 -1.50 0.22 0.00 3.41 -0.52 -2.35 113.62 118.02 1vhk n SER 45 Ca -0.08 -0.02 0.07 0.00 -0.26 0.00 0.00 58.87 58.58 1vhk n SER 45 Cb 0.48 -1.24 0.50 0.00 -0.26 0.00 0.00 64.21 63.69 1vhk n SER 45 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1vhk h GLN 46 N -2.36 0.00 -0.27 4.33 4.15 -1.38 -1.76 115.11 117.81 1vhk h GLN 46 Ca -0.56 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.86 1vhk h GLN 46 Cb 1.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1vhk h GLN 46 CO 0.45 0.25 0.00 -0.40 -1.93 0.00 0.00 178.83 177.20 1vhk n ASP 47 N -3.94 2.07 0.00 -0.69 5.75 -1.26 -4.95 116.55 113.54 1vhk n ASP 47 Ca -0.02 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1vhk n ASP 47 Cb 0.33 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1vhk n ASP 47 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vhk n GLY 48 N 1.19 0.88 3.51 6.12 0.00 -0.66 -5.07 105.19 111.17 1vhk n GLY 48 Ca 0.16 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.00 3.19 0.20 1.61 0.40 -1.26 -4.86 117.98 115.26 1vhk s PHE 49 Ca 0.00 -0.22 -0.29 0.00 -0.60 0.00 0.00 56.93 55.82 1vhk s PHE 49 Cb 0.00 -2.37 -0.08 0.00 0.51 0.00 0.00 43.02 41.07 1vhk s PHE 49 CO 0.00 -0.32 0.89 -2.00 0.70 0.00 0.00 175.22 174.50 1vhk s GLU 50 N 1.69 4.75 -0.00 0.44 2.12 -1.26 -1.45 118.70 125.00 1vhk s GLU 50 Ca 0.06 1.39 -0.03 0.00 0.36 0.00 0.00 54.97 56.75 1vhk s GLU 50 Cb -0.16 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 1vhk s GLU 50 CO 0.08 0.49 0.05 0.00 -0.54 0.00 0.00 175.26 175.34 1vhk s ALA 51 N -0.98 -0.10 -0.26 6.30 0.00 0.20 -2.49 121.76 124.43 1vhk s ALA 51 Ca 0.40 -0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.02 1vhk s ALA 51 Cb -0.25 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1vhk s ALA 51 CO 0.30 -0.13 0.37 0.21 0.00 0.00 0.00 175.76 176.51 1vhk s LYS 52 N -0.91 4.03 0.00 0.00 2.20 0.45 -0.31 119.74 125.20 1vhk s LYS 52 Ca -0.10 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 1vhk s LYS 52 Cb -0.06 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1vhk s LYS 52 CO 0.00 -0.25 0.00 0.00 -0.36 0.00 0.00 175.35 174.74 1vhk s LEU 66 N -1.41 2.17 -0.61 0.00 0.20 -1.26 -5.08 118.68 112.69 1vhk s LEU 66 Ca -0.13 -0.56 -0.28 0.00 0.69 0.00 0.00 54.13 53.85 1vhk s LEU 66 Cb -0.06 -1.45 0.03 0.00 -0.43 0.00 0.00 46.19 44.28 1vhk s LEU 66 CO 0.03 0.12 1.21 -0.69 -0.29 0.00 0.00 176.35 176.73 1vhk s VAL 67 N 0.59 3.95 -0.01 1.68 1.01 -1.26 -4.88 120.40 121.48 1vhk s VAL 67 Ca -0.12 0.80 0.09 0.00 0.00 0.00 0.00 61.98 62.76 1vhk s VAL 67 Cb -0.17 -4.76 -0.23 0.00 0.00 0.00 0.00 36.38 31.22 1vhk s VAL 67 CO 0.03 -1.45 0.81 0.16 0.00 0.00 0.00 175.10 174.66 1vhk h ILE 68 N 6.14 1.06 -1.78 2.22 3.07 -1.44 -3.49 117.51 123.29 1vhk h ILE 68 Ca -0.26 -2.86 0.01 0.00 1.55 0.00 0.00 64.86 63.31 1vhk h ILE 68 Cb 1.06 2.54 -0.23 0.00 -0.27 0.00 0.00 36.82 39.92 1vhk h ILE 68 CO 1.21 0.64 0.34 -1.83 -1.05 0.00 0.00 178.15 177.45 1vhk s GLU 69 N -2.62 0.73 -0.34 0.16 -1.05 -1.02 -5.00 118.70 109.56 1vhk s GLU 69 Ca -0.04 0.51 -0.17 0.00 -0.15 0.00 0.00 54.97 55.12 1vhk s GLU 69 Cb 0.08 0.35 -0.01 0.00 -0.44 0.00 0.00 34.13 34.12 1vhk s GLU 69 CO 0.82 -0.16 0.44 -1.58 0.95 0.00 0.00 175.26 175.73 1vhk s TRP 70 N -0.37 3.20 0.35 4.83 0.52 -1.26 -0.42 118.94 125.79 1vhk s TRP 70 Ca -0.02 0.12 0.04 0.00 0.02 0.00 0.00 56.10 56.26 1vhk s TRP 70 Cb -0.03 -2.78 0.69 0.00 -1.15 0.00 0.00 33.47 30.20 1vhk s TRP 70 CO 0.01 -0.46 1.97 1.79 0.02 0.00 0.00 176.95 180.28 1vhk h THR 71 N 5.56 1.07 0.00 2.01 1.35 -1.86 -3.47 112.91 117.58 1vhk h THR 71 Ca -0.29 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1vhk h THR 71 Cb 1.14 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1vhk h THR 71 CO 0.73 0.15 0.00 0.59 -0.25 0.00 0.00 175.52 176.73 1vhk n ASN 72 N -4.47 -0.31 -4.71 5.36 3.02 -1.26 -4.99 115.26 107.90 1vhk n ASN 72 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 1vhk n ASN 72 Cb 0.16 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 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 -0.19 4.53 -0.09 3.52 2.02 -1.26 -5.04 118.70 122.18 1vhk s GLU 73 Ca 0.00 1.50 0.00 0.00 0.02 0.00 0.00 54.97 56.49 1vhk s GLU 73 Cb 0.00 -3.44 0.02 0.00 0.10 0.00 0.00 34.13 30.81 1vhk s GLU 73 CO 0.00 -0.11 -0.08 1.21 0.02 0.00 0.00 175.26 176.31 1vhk s ASN 74 N 1.03 1.84 -0.11 -0.19 3.84 -1.26 -4.64 114.94 115.45 1vhk s ASN 74 Ca 0.53 -0.25 0.14 0.00 0.21 0.00 0.00 52.86 53.50 1vhk s ASN 74 Cb -0.23 -0.74 0.36 0.00 -0.55 0.00 0.00 41.25 40.09 1vhk s ASN 74 CO 0.28 -0.08 1.26 0.54 -2.79 0.00 0.00 177.10 176.31 1vhk n ARG 75 N 4.55 2.40 -2.18 0.43 1.74 -1.26 -5.02 116.66 117.32 1vhk n ARG 75 Ca -0.16 -2.48 -0.33 0.00 -0.77 0.00 0.00 57.85 54.11 1vhk n ARG 75 Cb 0.51 -1.55 -0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.35 3.47 0.49 5.56 0.41 -1.26 -4.94 118.70 120.08 1vhk s GLU 76 Ca 0.31 1.23 -0.21 0.00 -0.41 0.00 0.00 54.97 55.88 1vhk s GLU 76 Cb 0.25 -2.05 -0.07 0.00 -1.78 0.00 0.00 34.13 30.47 1vhk s GLU 76 CO 0.07 -0.69 1.10 -0.51 -0.49 0.00 0.00 175.26 174.74 1vhk s LEU 77 N -4.23 3.89 0.62 1.80 1.43 -1.26 -4.94 118.68 115.98 1vhk s LEU 77 Ca 0.64 2.11 0.34 0.00 -1.03 0.00 0.00 54.13 56.19 1vhk s LEU 77 Cb -0.16 -4.44 1.99 0.00 0.03 0.00 0.00 46.19 43.61 1vhk s LEU 77 CO 0.33 -0.91 2.27 -0.65 0.23 0.00 0.00 176.35 177.62 1vhk h PRO 78 N 1.69 0.00 -6.25 1.29 0.11 -1.96 -3.42 132.00 123.46 1vhk h PRO 78 Ca -0.49 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.03 1vhk h PRO 78 Cb 1.24 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.16 1vhk h PRO 78 CO 0.59 0.00 -0.80 0.96 -0.21 0.00 0.00 178.00 178.54 1vhk s ILE 79 N -4.47 2.06 -0.45 4.15 -4.36 -1.26 -1.18 121.20 115.69 1vhk s ILE 79 Ca -0.05 -1.95 -0.25 0.00 -0.26 0.00 0.00 60.65 58.14 1vhk s ILE 79 Cb 0.14 -1.96 0.03 0.00 1.25 0.00 0.00 42.46 41.92 1vhk s ILE 79 CO 0.50 -0.21 0.91 -0.54 0.24 0.00 0.00 174.94 175.83 1vhk s LYS 80 N -2.69 3.56 -0.27 0.37 1.02 0.25 -4.91 119.74 117.07 1vhk s LYS 80 Ca 0.18 0.19 -0.07 0.00 0.02 0.00 0.00 55.97 56.29 1vhk s LYS 80 Cb -0.07 -3.91 -0.01 0.00 -0.52 0.00 0.00 37.83 33.32 1vhk s LYS 80 CO 0.08 -1.17 0.06 0.08 -0.92 0.00 0.00 175.35 173.48 1vhk s VAL 81 N 3.66 4.01 -0.25 3.17 1.01 -1.26 0.50 120.40 131.24 1vhk s VAL 81 Ca 0.36 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1vhk s VAL 81 Cb -0.11 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1vhk s VAL 81 CO 0.25 0.22 0.20 -0.31 0.00 0.00 0.00 175.10 175.47 1vhk s TYR 82 N 1.54 3.29 -0.44 5.22 1.51 0.72 -1.20 117.35 127.99 1vhk s TYR 82 Ca 0.04 0.24 -0.17 0.00 -1.01 0.00 0.00 57.07 56.18 1vhk s TYR 82 Cb -0.16 -2.34 0.03 0.00 -0.11 0.00 0.00 41.96 39.38 1vhk s TYR 82 CO 0.02 -0.02 0.45 0.42 -1.11 0.00 0.00 175.55 175.31 1vhk s ILE 83 N 1.34 5.08 -0.37 2.71 -1.09 0.44 -1.81 121.20 127.50 1vhk s ILE 83 Ca 0.09 -0.48 -0.10 0.00 -2.23 0.00 0.00 60.65 57.93 1vhk s ILE 83 Cb -0.14 -4.08 0.04 0.00 -1.58 0.00 0.00 42.46 36.69 1vhk s ILE 83 CO 0.07 -0.49 0.19 0.00 -1.23 0.00 0.00 174.94 173.48 1vhk s ALA 84 N 2.12 3.23 -0.06 9.38 0.00 -0.80 0.12 121.76 135.75 1vhk s ALA 84 Ca 0.11 -1.78 0.05 0.00 0.00 0.00 0.00 51.96 50.34 1vhk s ALA 84 Cb -0.18 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 1vhk s ALA 84 CO 0.12 -1.42 -0.22 -1.54 0.00 0.00 0.00 175.76 172.71 1vhk s SER 85 N 1.59 3.35 0.17 0.00 1.04 -1.11 -0.39 113.70 118.35 1vhk s SER 85 Ca 0.01 -0.42 -0.31 0.00 0.48 0.00 0.00 55.95 55.70 1vhk s SER 85 Cb -0.20 -0.85 -0.10 0.00 0.10 0.00 0.00 66.02 64.98 1vhk s SER 85 CO 0.05 0.27 1.52 -0.83 0.98 0.00 0.00 173.24 175.23 1vhk s GLY 86 N -0.29 1.76 -0.28 7.32 0.00 0.16 -2.11 107.32 113.88 1vhk s GLY 86 Ca 0.01 1.33 -0.39 0.00 0.00 0.00 0.00 44.72 45.66 1vhk s GLY 86 CO 0.03 2.53 1.82 1.04 0.00 0.00 0.00 173.10 178.51 1vhk n LEU 87 N 3.68 2.41 0.00 0.66 4.32 -0.09 -4.03 117.00 123.94 1vhk n LEU 87 Ca 0.12 0.99 -0.22 0.00 -0.02 0.00 0.00 56.01 56.88 1vhk n LEU 87 Cb 0.39 -1.16 0.11 0.00 -1.62 0.00 0.00 43.42 41.14 1vhk n LEU 87 CO 0.61 -0.43 0.53 -0.81 -1.22 0.00 0.00 177.39 176.06 1vhk n PRO 88 N 5.86 -0.04 -2.39 3.23 -0.04 -1.26 -4.45 135.00 135.91 1vhk n PRO 88 Ca 0.29 -2.65 -0.25 0.00 -0.04 0.00 0.00 63.50 60.84 1vhk n PRO 88 Cb 0.15 -0.62 0.13 0.00 -0.04 0.00 0.00 33.50 33.12 1vhk n PRO 88 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1vhk s LYS 89 N -4.99 1.38 2.11 0.54 1.02 -1.26 -4.82 119.74 113.72 1vhk s LYS 89 Ca 0.64 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.73 1vhk s LYS 89 Cb -0.04 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 1vhk s LYS 89 CO 0.42 -1.73 0.00 0.41 -0.92 0.00 0.00 175.35 173.53 1vhk n GLY 90 N -3.11 2.81 0.96 -3.33 0.00 -1.26 -1.97 105.19 99.29 1vhk n GLY 90 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 2.44 2.63 -0.35 1.61 8.00 -1.26 -4.79 116.55 124.83 1vhk n ASP 91 Ca 0.00 -3.60 0.03 0.00 0.71 0.00 0.00 54.79 51.93 1vhk n ASP 91 Cb 0.00 -0.59 0.20 0.00 -0.02 0.00 0.00 41.12 40.70 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 1.06 1.10 -0.02 -1.24 1.57 -1.72 -1.33 116.57 115.99 1vhk h LYS 92 Ca 0.14 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1vhk h LYS 92 Cb 1.49 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1vhk h LYS 92 CO 0.28 0.73 -0.21 1.25 -0.57 0.00 0.00 179.45 180.93 1vhk h LEU 93 N 1.14 0.03 -0.23 2.94 5.85 -1.87 -1.09 115.31 122.08 1vhk h LEU 93 Ca 0.42 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.12 1vhk h LEU 93 Cb 0.17 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1vhk h LEU 93 CO -0.16 0.24 0.11 -0.33 -0.34 0.00 0.00 178.44 177.96 1vhk h GLU 94 N 0.03 0.34 -0.06 1.25 5.08 -1.62 -1.34 114.58 118.27 1vhk h GLU 94 Ca 0.00 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1vhk h GLU 94 Cb 0.39 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1vhk h GLU 94 CO 0.03 0.35 -0.09 -1.49 -1.00 0.00 0.00 179.01 176.81 1vhk h TRP 95 N 0.25 -0.23 -0.92 4.33 6.55 -1.21 -2.13 115.95 122.58 1vhk h TRP 95 Ca 0.08 0.01 0.08 0.00 0.95 0.00 0.00 58.89 60.01 1vhk h TRP 95 Cb 0.12 0.11 -0.07 0.00 -0.86 0.00 0.00 29.16 28.46 1vhk h TRP 95 CO -0.02 -0.14 0.57 0.82 -1.05 0.00 0.00 178.44 178.62 1vhk h ILE 96 N -0.13 1.01 -0.17 1.49 2.04 -0.93 -1.02 117.51 119.80 1vhk h ILE 96 Ca 0.06 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1vhk h ILE 96 Cb 0.21 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1vhk h ILE 96 CO -0.14 0.18 0.04 0.40 0.00 0.00 0.00 178.15 178.64 1vhk h ILE 97 N 1.00 1.21 0.80 -0.67 1.08 -1.00 -0.76 117.51 119.17 1vhk h ILE 97 Ca 0.42 -0.66 -0.04 0.00 -0.39 0.00 0.00 64.86 64.19 1vhk h ILE 97 Cb 0.27 1.31 0.01 0.00 -3.07 0.00 0.00 36.82 35.34 1vhk h ILE 97 CO -0.21 0.20 -0.39 -0.61 -0.69 0.00 0.00 178.15 176.46 1vhk h GLN 98 N 0.09 -1.04 -0.70 2.37 4.15 -0.96 -0.85 115.11 118.17 1vhk h GLN 98 Ca 0.05 0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 1vhk h GLN 98 Cb 0.27 0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 1vhk h GLN 98 CO 0.00 -0.69 0.29 0.87 -1.93 0.00 0.00 178.83 177.36 1vhk h LYS 99 N -1.23 1.02 0.00 1.69 6.56 -1.29 -2.25 116.57 121.07 1vhk h LYS 99 Ca -0.11 -0.17 -0.08 0.00 -1.06 0.00 0.00 60.65 59.24 1vhk h LYS 99 Cb 0.83 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 32.30 1vhk h LYS 99 CO 0.18 0.83 -0.37 0.78 -2.06 0.00 0.00 179.45 178.81 1vhk h GLY 100 N 1.07 0.00 1.59 3.86 0.00 -1.17 -1.88 103.07 106.55 1vhk h GLY 100 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.36 1vhk h GLY 100 CO -0.02 0.00 -0.87 -0.84 0.00 0.00 0.00 176.54 174.81 1vhk h THR 101 N 0.00 1.41 0.00 4.70 2.02 -0.74 0.23 112.91 120.52 1vhk h THR 101 Ca -0.00 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.80 1vhk h THR 101 Cb 0.81 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1vhk h THR 101 CO 0.05 0.71 0.00 1.05 0.37 0.00 0.00 175.52 177.70 1vhk h GLU 102 N 0.23 0.00 -0.69 6.66 4.11 -1.01 -2.76 114.58 121.12 1vhk h GLU 102 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1vhk h GLU 102 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1vhk h GLU 102 CO 0.15 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.51 1vhk n LEU 103 N -2.60 3.87 0.00 3.06 4.77 -0.74 -4.95 117.00 120.40 1vhk n LEU 103 Ca 0.03 -2.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 1vhk n LEU 103 Cb 0.35 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1vhk n LEU 103 CO 0.27 0.96 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 1vhk n GLY 104 N 1.50 0.69 3.69 -0.72 0.00 -1.04 -4.71 105.19 104.60 1vhk n GLY 104 Ca 0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.99 1.61 0.11 4.61 0.00 0.79 -4.68 120.51 120.96 1vhk n ALA 105 Ca 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.84 1vhk n ALA 105 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.10 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 4.80 0.00 -1.45 0.00 2.76 -1.49 -3.43 115.15 116.33 1vhk h HIS 106 Ca -0.45 0.00 0.19 0.00 -2.20 0.00 0.00 60.37 57.90 1vhk h HIS 106 Cb 1.25 0.00 -0.22 0.00 1.55 0.00 0.00 27.41 29.99 1vhk h HIS 106 CO 0.58 0.68 0.74 0.00 -1.30 0.00 0.00 177.93 178.64 1vhk s ALA 107 N -2.95 -2.02 -0.08 5.26 0.00 -1.23 -3.89 121.76 116.85 1vhk s ALA 107 Ca 0.02 1.63 0.04 0.00 0.00 0.00 0.00 51.96 53.65 1vhk s ALA 107 Cb 0.09 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1vhk s ALA 107 CO 0.77 -0.42 -0.21 -0.06 0.00 0.00 0.00 175.76 175.84 1vhk s PHE 108 N -1.70 2.57 -0.48 0.00 0.08 -0.48 -0.42 117.98 117.56 1vhk s PHE 108 Ca 0.06 -0.76 0.03 0.00 0.12 0.00 0.00 56.93 56.37 1vhk s PHE 108 Cb -0.01 -1.69 0.14 0.00 -0.57 0.00 0.00 43.02 40.90 1vhk s PHE 108 CO -0.04 -0.25 0.28 0.42 -0.10 0.00 0.00 175.22 175.54 1vhk s ILE 109 N 0.05 1.58 0.23 0.64 1.01 0.33 -4.27 121.20 120.77 1vhk s ILE 109 Ca -0.09 -2.85 -0.30 0.00 0.00 0.00 0.00 60.65 57.42 1vhk s ILE 109 Cb -0.15 -2.09 -0.09 0.00 0.01 0.00 0.00 42.46 40.14 1vhk s ILE 109 CO 0.06 -0.94 1.33 -2.16 0.00 0.00 0.00 174.94 173.22 1vhk s PRO 110 N 0.04 4.37 0.10 2.79 0.04 -1.26 -2.75 135.00 138.33 1vhk s PRO 110 Ca 0.20 2.11 -0.03 0.00 0.04 0.00 0.00 61.00 63.33 1vhk s PRO 110 Cb -0.19 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1vhk s PRO 110 CO -0.04 -0.26 0.06 -0.59 0.04 0.00 0.00 177.00 176.22 1vhk s PHE 111 N -0.14 0.63 -0.35 0.56 -0.12 -0.90 -1.36 117.98 116.31 1vhk s PHE 111 Ca 0.56 -1.07 -0.25 0.00 -0.05 0.00 0.00 56.93 56.12 1vhk s PHE 111 Cb -0.38 -0.37 0.01 0.00 -0.63 0.00 0.00 43.02 41.66 1vhk s PHE 111 CO 0.41 -0.50 0.86 -0.65 -0.05 0.00 0.00 175.22 175.30 1vhk s GLN 112 N -3.98 3.86 0.53 1.99 -1.52 0.31 -0.92 119.66 119.92 1vhk s GLN 112 Ca 0.16 0.53 -0.01 0.00 -1.95 0.00 0.00 55.36 54.09 1vhk s GLN 112 Cb 0.07 -3.78 0.02 0.00 -0.22 0.00 0.00 33.01 29.09 1vhk s GLN 112 CO -0.04 -0.86 0.77 0.00 -0.25 0.00 0.00 175.29 174.91 1vhk s ALA 113 N 3.26 3.69 0.19 6.09 0.00 -1.26 -3.59 121.76 130.14 1vhk s ALA 113 Ca 0.35 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.11 1vhk s ALA 113 Cb -0.13 -2.22 0.10 0.00 0.00 0.00 0.00 23.12 20.87 1vhk s ALA 113 CO 0.17 -0.65 1.78 0.00 0.00 0.00 0.00 175.76 177.06 1vhk h ALA 114 N 0.12 0.84 -0.32 0.00 0.00 -1.96 -0.86 119.26 117.09 1vhk h ALA 114 Ca -0.44 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1vhk h ALA 114 Cb 1.27 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1vhk h ALA 114 CO 0.56 0.40 0.00 0.54 0.00 0.00 0.00 179.25 180.75 1vhk n ARG 115 N -4.49 2.05 -2.59 0.00 1.74 -1.26 -4.86 116.66 107.26 1vhk n ARG 115 Ca 0.05 -1.28 -0.42 0.00 -0.77 0.00 0.00 57.85 55.43 1vhk n ARG 115 Cb 0.12 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 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 -0.83 7.24 -1.00 0.55 0.01 -0.33 -4.80 113.70 114.54 1vhk s SER 116 Ca 0.23 1.80 -0.02 0.00 1.31 0.00 0.00 55.95 59.28 1vhk s SER 116 Cb 0.14 -2.57 0.31 0.00 0.21 0.00 0.00 66.02 64.10 1vhk s SER 116 CO 0.13 -0.36 1.93 0.52 0.41 0.00 0.00 173.24 175.87 1vhk n VAL 117 N 3.97 5.46 -2.38 3.43 0.31 -1.26 -4.85 118.33 123.01 1vhk n VAL 117 Ca 0.07 -5.45 0.00 0.00 -0.01 0.00 0.00 64.34 58.95 1vhk n VAL 117 Cb 0.49 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 1vhk n VAL 117 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1vhk n VAL 118 N -0.04 0.00 0.00 2.52 0.31 -1.26 -4.95 118.33 114.91 1vhk n VAL 118 Ca 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.83 1vhk n VAL 118 Cb 0.26 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 1vhk n VAL 118 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1vhk n ARG 129 N 0.00 0.00 -0.15 5.55 -4.01 -1.26 -5.16 116.66 111.63 1vhk n ARG 129 Ca 0.00 0.00 -0.12 0.00 -1.04 0.00 0.00 57.85 56.69 1vhk n ARG 129 Cb 0.00 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 29.41 1vhk n ARG 129 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 1vhk h GLU 130 N 0.00 0.97 -0.57 2.89 4.39 -1.99 -1.85 114.58 118.41 1vhk h GLU 130 Ca 0.00 -0.43 -0.09 0.00 0.34 0.00 0.00 59.36 59.18 1vhk h GLU 130 Cb 0.00 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1vhk h GLU 130 CO 0.00 1.10 -0.00 -0.09 -1.16 0.00 0.00 179.01 178.86 1vhk h ARG 131 N 0.81 1.00 -0.73 2.33 2.43 -2.05 -2.38 114.38 115.78 1vhk h ARG 131 Ca 0.10 -0.32 0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1vhk h ARG 131 Cb 0.82 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 1vhk h ARG 131 CO 0.07 1.00 0.46 -1.49 -1.51 0.00 0.00 179.97 178.49 1vhk h TRP 132 N 0.89 0.85 -0.72 2.20 6.55 -1.94 0.16 115.95 123.94 1vhk h TRP 132 Ca 0.16 0.02 -0.06 0.00 0.95 0.00 0.00 58.89 59.96 1vhk h TRP 132 Cb 0.55 -0.28 -0.03 0.00 -0.86 0.00 0.00 29.16 28.54 1vhk h TRP 132 CO 0.04 0.47 0.21 1.15 -1.05 0.00 0.00 178.44 179.26 1vhk h THR 133 N 0.88 1.26 -0.42 1.49 2.02 -1.27 -1.20 112.91 115.66 1vhk h THR 133 Ca 0.30 -0.93 -0.08 0.00 0.77 0.00 0.00 66.41 66.47 1vhk h THR 133 Cb 0.06 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1vhk h THR 133 CO -0.13 0.36 -0.06 0.50 0.37 0.00 0.00 175.52 176.57 1vhk h LYS 134 N 1.07 0.78 -0.85 6.66 3.64 -0.53 -1.68 116.57 125.66 1vhk h LYS 134 Ca 0.23 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1vhk h LYS 134 Cb 0.33 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1vhk h LYS 134 CO -0.00 0.89 0.47 0.82 -2.27 0.00 0.00 179.45 179.35 1vhk h ILE 135 N 0.60 1.25 0.91 2.00 2.04 -0.58 -2.15 117.51 121.59 1vhk h ILE 135 Ca 0.11 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1vhk h ILE 135 Cb 0.57 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1vhk h ILE 135 CO 0.03 0.28 -0.48 0.00 0.00 0.00 0.00 178.15 177.98 1vhk h ALA 136 N 1.25 -1.33 -0.67 1.87 0.00 -0.93 -1.53 119.26 117.92 1vhk h ALA 136 Ca 0.30 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1vhk h ALA 136 Cb 0.03 0.54 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 1vhk h ALA 136 CO -0.05 -1.25 0.16 -0.22 0.00 0.00 0.00 179.25 177.89 1vhk h LYS 137 N -1.28 0.27 -0.46 0.00 3.64 -1.26 0.49 116.57 117.98 1vhk h LYS 137 Ca -0.12 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 1vhk h LYS 137 Cb 0.99 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1vhk h LYS 137 CO 0.18 0.18 -0.15 1.49 -2.27 0.00 0.00 179.45 178.88 1vhk h GLU 138 N 0.28 0.87 -0.63 1.90 4.22 -1.36 0.14 114.58 120.01 1vhk h GLU 138 Ca 0.36 -0.32 -0.09 0.00 0.08 0.00 0.00 59.36 59.39 1vhk h GLU 138 Cb 0.57 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1vhk h GLU 138 CO -0.45 0.96 0.04 0.00 -2.18 0.00 0.00 179.01 177.38 1vhk h ALA 139 N 1.05 0.88 -0.11 2.92 0.00 -0.07 -2.24 119.26 121.69 1vhk h ALA 139 Ca 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1vhk h ALA 139 Cb 0.68 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1vhk h ALA 139 CO 0.05 0.67 0.06 0.00 0.00 0.00 0.00 179.25 180.02 1vhk h ALA 140 N 1.04 0.15 -0.03 0.00 0.00 0.28 -2.55 119.26 118.14 1vhk h ALA 140 Ca 0.18 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1vhk h ALA 140 Cb 0.51 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1vhk h ALA 140 CO 0.02 -0.30 -0.34 0.93 0.00 0.00 0.00 179.25 179.56 1vhk h GLU 141 N 0.07 -0.39 0.00 0.00 5.08 -0.48 -2.53 114.58 116.34 1vhk h GLU 141 Ca 0.04 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1vhk h GLU 141 Cb 0.11 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1vhk h GLU 141 CO -0.01 -0.26 -0.00 1.96 -1.00 0.00 0.00 179.01 179.70 1vhk h GLN 142 N -0.40 0.00 -0.02 2.33 1.08 -1.43 -2.91 115.11 113.76 1vhk h GLN 142 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1vhk h GLN 142 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1vhk h GLN 142 CO -0.24 0.00 -0.13 -1.13 -0.95 0.00 0.00 178.83 176.38 1vhk n SER 143 N -4.14 2.08 -1.63 1.46 3.41 -0.96 -4.96 113.62 108.88 1vhk n SER 143 Ca -0.03 -1.59 -0.12 0.00 -0.26 0.00 0.00 58.87 56.87 1vhk n SER 143 Cb 0.09 0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.44 -0.94 -1.18 7.33 4.01 -0.99 -5.02 117.16 120.81 1vhk n TYR 144 Ca 0.14 0.22 -0.30 0.00 -0.16 0.00 0.00 57.90 57.81 1vhk n TYR 144 Cb 0.47 -2.81 0.14 0.00 -0.31 0.00 0.00 39.34 36.83 1vhk n TYR 144 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1vhk s ARG 145 N -5.03 1.18 0.00 -0.72 1.81 -1.13 -4.60 118.95 110.47 1vhk s ARG 145 Ca 0.13 0.82 0.15 0.00 -1.72 0.00 0.00 55.73 55.11 1vhk s ARG 145 Cb -0.06 -1.80 -0.10 0.00 -0.45 0.00 0.00 34.95 32.54 1vhk s ARG 145 CO 0.16 -2.29 0.70 0.09 -0.68 0.00 0.00 175.30 173.28 1vhk n ASN 146 N -3.92 1.03 -3.98 0.23 4.13 -1.26 -4.90 115.26 106.60 1vhk n ASN 146 Ca 0.07 -1.01 -0.16 0.00 1.68 0.00 0.00 54.58 55.15 1vhk n ASN 146 Cb 0.55 0.80 -0.14 0.00 -1.54 0.00 0.00 39.78 39.44 1vhk n ASN 146 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1vhk s GLU 147 N -2.17 0.50 -0.36 3.52 -6.30 -1.26 -4.17 118.70 108.46 1vhk s GLU 147 Ca 0.08 -0.23 -0.16 0.00 -2.50 0.00 0.00 54.97 52.17 1vhk s GLU 147 Cb 0.12 -0.48 -0.01 0.00 0.00 0.00 0.00 34.13 33.76 1vhk s GLU 147 CO 0.52 0.13 0.38 0.08 0.02 0.00 0.00 175.26 176.39 1vhk s VAL 148 N -0.17 5.15 0.45 3.70 1.01 -1.26 -4.87 120.40 124.42 1vhk s VAL 148 Ca 0.02 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 1vhk s VAL 148 Cb -0.03 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 1vhk s VAL 148 CO -0.00 -0.16 1.29 -2.16 0.00 0.00 0.00 175.10 174.07 1vhk s PRO 149 N 2.04 3.73 -0.13 2.72 0.04 -1.26 -5.01 135.00 137.13 1vhk s PRO 149 Ca 0.12 2.10 -0.08 0.00 0.04 0.00 0.00 61.00 63.18 1vhk s PRO 149 Cb -0.17 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 1vhk s PRO 149 CO 0.12 -0.67 0.17 0.50 0.04 0.00 0.00 177.00 177.15 1vhk s ARG 150 N -2.50 3.63 0.39 4.56 3.00 -1.25 -4.80 118.95 121.98 1vhk s ARG 150 Ca 0.62 -0.09 0.07 0.00 -1.00 0.00 0.00 55.73 55.32 1vhk s ARG 150 Cb -0.37 -3.24 0.00 0.00 0.00 0.00 0.00 34.95 31.35 1vhk s ARG 150 CO 0.46 0.67 0.54 0.08 0.00 0.00 0.00 175.30 177.05 1vhk s VAL 151 N -0.75 3.41 0.18 7.11 1.01 -1.26 -1.38 120.40 128.72 1vhk s VAL 151 Ca 0.15 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1vhk s VAL 151 Cb -0.12 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.03 1vhk s VAL 151 CO 0.04 -0.07 0.49 -1.81 0.00 0.00 0.00 175.10 173.75 1vhk s ASP 153 N -4.28 6.63 0.11 3.32 1.01 -1.26 -4.98 116.67 117.22 1vhk s ASP 153 Ca 0.51 0.86 -0.31 0.00 0.71 0.00 0.00 52.55 54.32 1vhk s ASP 153 Cb -0.10 -2.20 -0.09 0.00 1.01 0.00 0.00 42.92 41.54 1vhk s ASP 153 CO 0.33 0.02 1.64 0.68 0.21 0.00 0.00 175.17 178.05 1vhk s VAL 154 N -1.67 2.81 0.37 -1.27 -7.23 -1.26 -4.61 120.40 107.54 1vhk s VAL 154 Ca 0.42 0.41 0.01 0.00 -1.81 0.00 0.00 61.98 61.01 1vhk s VAL 154 Cb -0.12 -3.27 -0.03 0.00 0.56 0.00 0.00 36.38 33.52 1vhk s VAL 154 CO 0.21 0.01 0.58 -1.00 -0.31 0.00 0.00 175.10 174.59 1vhk s HIS 155 N 2.09 3.43 0.64 2.82 3.76 -0.47 -4.97 115.29 122.60 1vhk s HIS 155 Ca 0.73 0.32 -0.01 0.00 -0.15 0.00 0.00 55.06 55.95 1vhk s HIS 155 Cb -0.42 -1.99 0.07 0.00 1.11 0.00 0.00 32.58 31.35 1vhk s HIS 155 CO 0.32 0.01 0.90 -1.54 -0.85 0.00 0.00 174.74 173.58 1vhk s SER 156 N -4.08 4.89 0.19 1.40 1.04 -1.26 -0.53 113.70 115.34 1vhk s SER 156 Ca 0.42 0.01 -0.13 0.00 0.48 0.00 0.00 55.95 56.74 1vhk s SER 156 Cb -0.10 -0.70 0.19 0.00 0.10 0.00 0.00 66.02 65.51 1vhk s SER 156 CO 0.36 -1.46 1.73 0.15 0.98 0.00 0.00 173.24 175.00 1vhk h PHE 157 N -0.27 0.22 -0.18 5.02 3.04 -1.95 -1.36 116.94 121.46 1vhk h PHE 157 Ca -0.41 0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.61 1vhk h PHE 157 Cb 1.29 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 39.73 1vhk h PHE 157 CO 0.19 0.04 -0.13 0.37 -2.02 0.00 0.00 178.31 176.75 1vhk h GLN 158 N 0.28 -0.13 -0.83 1.11 5.75 -1.94 -0.59 115.11 118.77 1vhk h GLN 158 Ca 0.25 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.81 1vhk h GLN 158 Cb 0.31 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.83 1vhk h GLN 158 CO -0.29 -0.08 0.51 1.96 -2.65 0.00 0.00 178.83 178.27 1vhk h GLN 159 N -0.13 0.92 -0.25 1.69 4.20 -1.83 -1.23 115.11 118.47 1vhk h GLN 159 Ca 0.11 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1vhk h GLN 159 Cb 0.29 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 1vhk h GLN 159 CO -0.26 0.61 -0.08 1.25 -0.67 0.00 0.00 178.83 179.68 1vhk h LEU 160 N 0.94 -0.28 -0.79 1.46 5.85 -0.13 -2.14 115.31 120.22 1vhk h LEU 160 Ca 0.36 0.08 0.01 0.00 0.84 0.00 0.00 57.88 59.17 1vhk h LEU 160 Cb 0.15 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1vhk h LEU 160 CO -0.16 -0.10 0.52 -0.07 -0.34 0.00 0.00 178.44 178.28 1vhk h LEU 161 N -0.03 0.89 -1.78 2.25 3.38 -0.53 -1.59 115.31 117.90 1vhk h LEU 161 Ca 0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1vhk h LEU 161 Cb 0.22 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1vhk h LEU 161 CO -0.27 0.64 -0.11 1.56 0.09 0.00 0.00 178.44 180.35 1vhk h GLN 162 N 1.05 0.00 -2.53 1.13 4.20 -0.83 -3.39 115.11 114.74 1vhk h GLN 162 Ca 0.29 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.36 1vhk h GLN 162 Cb -0.10 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.58 1vhk h GLN 162 CO -0.07 0.11 2.12 -2.13 -0.67 0.00 0.00 178.83 178.18 1vhk n ARG 163 N -3.42 3.86 0.00 1.46 0.63 -0.60 -4.78 116.66 113.81 1vhk n ARG 163 Ca -0.01 -2.87 0.00 0.00 -0.92 0.00 0.00 57.85 54.05 1vhk n ARG 163 Cb 0.27 -2.53 0.00 0.00 0.45 0.00 0.00 32.46 30.65 1vhk n ARG 163 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vhk n GLN 165 N 1.95 0.00 -0.30 -0.14 10.64 -1.26 -4.34 117.38 123.93 1vhk n GLN 165 Ca 0.62 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.86 1vhk n GLN 165 Cb 0.34 0.00 0.29 0.00 -0.86 0.00 0.00 30.24 30.02 1vhk n GLN 165 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 1vhk h ASP 166 N 0.00 0.82 -4.13 2.61 3.45 -1.96 -3.45 116.42 113.75 1vhk h ASP 166 Ca 0.00 0.03 -0.46 0.00 0.43 0.00 0.00 57.03 57.03 1vhk h ASP 166 Cb 0.00 -0.14 0.01 0.00 -0.56 0.00 0.00 39.33 38.64 1vhk h ASP 166 CO 0.00 0.47 0.37 -0.36 -1.57 0.00 0.00 179.24 178.14 1vhk s PHE 167 N -5.83 3.28 0.19 4.55 0.08 -1.26 -4.98 117.98 114.00 1vhk s PHE 167 Ca -0.11 1.54 -0.01 0.00 0.12 0.00 0.00 56.93 58.47 1vhk s PHE 167 Cb 0.21 -2.88 0.09 0.00 -0.57 0.00 0.00 43.02 39.87 1vhk s PHE 167 CO 0.80 -0.45 1.46 -0.44 -0.10 0.00 0.00 175.22 176.49 1vhk h ASP 168 N 1.28 0.46 -3.85 1.36 3.45 -1.79 -3.45 116.42 113.89 1vhk h ASP 168 Ca -0.48 -0.29 -0.11 0.00 0.43 0.00 0.00 57.03 56.58 1vhk h ASP 168 Cb 1.19 -0.14 -0.24 0.00 -0.56 0.00 0.00 39.33 39.59 1vhk h ASP 168 CO 0.60 1.01 -0.21 -0.75 -1.57 0.00 0.00 179.24 178.33 1vhk s LYS 169 N -3.68 0.50 -0.15 3.56 2.47 -0.99 -5.02 119.74 116.43 1vhk s LYS 169 Ca -0.06 0.62 0.01 0.00 -1.56 0.00 0.00 55.97 54.99 1vhk s LYS 169 Cb 0.11 0.23 0.01 0.00 -1.46 0.00 0.00 37.83 36.71 1vhk s LYS 169 CO 0.83 -0.07 -0.18 0.00 0.16 0.00 0.00 175.35 176.09 1vhk s VAL 171 N 0.87 3.39 -0.26 0.00 1.01 -0.10 -0.75 120.40 124.55 1vhk s VAL 171 Ca -0.05 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 1vhk s VAL 171 Cb -0.15 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1vhk s VAL 171 CO -0.02 0.55 0.08 -0.69 0.00 0.00 0.00 175.10 175.02 1vhk s VAL 172 N -0.14 4.26 -0.74 2.92 1.01 0.23 -0.21 120.40 127.73 1vhk s VAL 172 Ca 0.00 -0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.43 1vhk s VAL 172 Cb -0.13 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.23 1vhk s VAL 172 CO 0.03 0.28 1.34 0.00 0.00 0.00 0.00 175.10 176.75 1vhk s ALA 173 N 1.59 2.69 -0.27 5.51 0.00 0.21 -0.84 121.76 130.66 1vhk s ALA 173 Ca 0.06 -1.33 -0.27 0.00 0.00 0.00 0.00 51.96 50.42 1vhk s ALA 173 Cb -0.16 -4.27 0.17 0.00 0.00 0.00 0.00 23.12 18.86 1vhk s ALA 173 CO 0.03 -3.36 1.28 -0.47 0.00 0.00 0.00 175.76 173.25 1vhk s TYR 174 N 6.04 -0.17 -0.09 0.00 6.14 -1.02 -4.69 117.35 123.56 1vhk s TYR 174 Ca 0.38 0.38 -0.00 0.00 0.64 0.00 0.00 57.07 58.47 1vhk s TYR 174 Cb -0.08 0.46 0.02 0.00 0.42 0.00 0.00 41.96 42.78 1vhk s TYR 174 CO 0.15 -0.11 -0.06 -1.83 0.64 0.00 0.00 175.55 174.34 1vhk s GLU 175 N -0.36 1.23 -0.16 4.97 4.04 -1.26 -2.07 118.70 125.09 1vhk s GLU 175 Ca 0.06 -0.17 0.09 0.00 0.04 0.00 0.00 54.97 54.99 1vhk s GLU 175 Cb -0.03 -1.30 -0.16 0.00 0.02 0.00 0.00 34.13 32.66 1vhk s GLU 175 CO -0.09 -0.20 -0.03 0.39 -1.84 0.00 0.00 175.26 173.49 1vhk n GLU 176 N 4.69 1.22 0.00 -4.83 1.02 -1.26 -5.06 120.64 116.42 1vhk n GLU 176 Ca -0.15 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1vhk n GLU 176 Cb 0.50 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1vhk n GLU 176 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1vhk n SER 177 N -2.72 0.00 -3.67 1.62 2.88 -1.26 -5.26 113.62 105.21 1vhk n SER 177 Ca -0.27 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.15 1vhk n SER 177 Cb 0.93 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.27 1vhk n SER 177 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1vhk s SER 184 N -2.53 0.07 0.00 -3.46 0.15 -1.26 -5.26 113.70 101.41 1vhk s SER 184 Ca 0.00 0.71 0.10 0.00 0.70 0.00 0.00 55.95 57.46 1vhk s SER 184 Cb 0.00 0.84 0.62 0.00 -1.71 0.00 0.00 66.02 65.77 1vhk s SER 184 CO 0.00 -0.23 1.27 0.00 1.20 0.00 0.00 173.24 175.49 1vhk n ALA 185 N 5.16 2.40 0.15 5.45 0.00 -1.26 -4.24 120.51 128.17 1vhk n ALA 185 Ca -0.10 -0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1vhk n ALA 185 Cb 0.50 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 1vhk n ALA 185 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1vhk h PHE 186 N 0.00 -0.30 -0.64 0.00 3.04 -1.90 -1.27 116.94 115.86 1vhk h PHE 186 Ca 0.00 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1vhk h PHE 186 Cb 0.00 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 1vhk h PHE 186 CO 0.00 -0.19 0.16 0.66 -2.02 0.00 0.00 178.31 176.93 1vhk h SER 187 N -0.32 0.93 -0.27 0.41 4.64 -1.95 -2.20 113.55 114.79 1vhk h SER 187 Ca -0.03 -0.18 0.03 0.00 -0.47 0.00 0.00 61.79 61.14 1vhk h SER 187 Cb 0.25 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1vhk h SER 187 CO 0.04 0.89 0.09 0.00 -0.87 0.00 0.00 176.83 176.99 1vhk h ALA 188 N 1.22 0.31 0.48 5.18 0.00 -1.73 -1.04 119.26 123.69 1vhk h ALA 188 Ca 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1vhk h ALA 188 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1vhk h ALA 188 CO -0.00 -0.31 -0.23 0.82 0.00 0.00 0.00 179.25 179.52 1vhk h ILE 189 N 0.22 0.52 -0.19 0.00 2.04 -1.22 -2.94 117.51 115.95 1vhk h ILE 189 Ca 0.12 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 1vhk h ILE 189 Cb 0.09 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1vhk h ILE 189 CO -0.12 0.01 -0.21 0.58 0.00 0.00 0.00 178.15 178.41 1vhk h VAL 190 N -0.68 1.23 0.00 1.67 2.07 -1.30 -2.27 116.25 116.97 1vhk h VAL 190 Ca -0.07 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 1vhk h VAL 190 Cb 0.51 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1vhk h VAL 190 CO 0.11 0.34 -0.24 -1.28 0.02 0.00 0.00 177.57 176.52 1vhk h SER 191 N 0.31 0.00 0.02 0.57 0.87 -1.22 -2.97 113.55 111.13 1vhk h SER 191 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1vhk h SER 191 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1vhk h SER 191 CO 0.04 0.24 -0.47 -1.20 -0.53 0.00 0.00 176.83 174.90 1vhk n SER 192 N -3.78 1.85 -4.70 6.23 7.64 -0.90 -4.92 113.62 115.05 1vhk n SER 192 Ca -0.01 -1.41 -0.42 0.00 1.01 0.00 0.00 58.87 58.04 1vhk n SER 192 Cb 0.34 0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 63.97 1vhk n SER 192 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1vhk s LEU 193 N -2.51 4.31 0.47 -3.43 1.43 -0.95 -5.02 118.68 112.98 1vhk s LEU 193 Ca 0.19 1.71 -0.22 0.00 -1.03 0.00 0.00 54.13 54.78 1vhk s LEU 193 Cb 0.18 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.76 1vhk s LEU 193 CO 0.58 -0.42 1.12 -2.84 0.23 0.00 0.00 176.35 175.01 1vhk s PRO 194 N 1.59 3.77 0.18 1.29 0.02 -1.26 -4.93 135.00 135.66 1vhk s PRO 194 Ca 0.53 1.63 -0.32 0.00 0.02 0.00 0.00 61.00 62.86 1vhk s PRO 194 Cb -0.22 -2.31 -0.16 0.00 0.02 0.00 0.00 34.50 31.82 1vhk s PRO 194 CO 0.24 -0.51 0.98 1.63 -0.33 0.00 0.00 177.00 179.01 1vhk n LYS 195 N -0.62 0.83 -0.14 5.54 4.01 -1.26 -1.52 118.16 124.99 1vhk n LYS 195 Ca 0.08 0.29 0.00 0.00 -0.51 0.00 0.00 58.31 58.17 1vhk n LYS 195 Cb 0.50 -1.66 0.00 0.00 -0.51 0.00 0.00 35.03 33.36 1vhk n LYS 195 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vhk n GLY 196 N 1.79 1.09 3.86 0.72 0.00 -0.33 -5.03 105.19 107.30 1vhk n GLY 196 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.90 4.43 -0.11 1.61 1.04 -0.58 -4.66 113.70 112.53 1vhk s SER 197 Ca 0.00 0.93 -0.03 0.00 0.48 0.00 0.00 55.95 57.33 1vhk s SER 197 Cb 0.00 -1.52 -0.03 0.00 0.10 0.00 0.00 66.02 64.57 1vhk s SER 197 CO 0.00 -1.97 0.03 -0.44 0.98 0.00 0.00 173.24 171.84 1vhk s SER 198 N -4.35 5.44 -0.11 7.02 0.01 -1.26 -0.59 113.70 119.87 1vhk s SER 198 Ca 0.62 0.17 -0.02 0.00 1.31 0.00 0.00 55.95 58.03 1vhk s SER 198 Cb -0.12 -1.64 0.04 0.00 0.21 0.00 0.00 66.02 64.50 1vhk s SER 198 CO 0.51 0.35 0.00 -0.22 0.41 0.00 0.00 173.24 174.29 1vhk s LEU 199 N -0.69 0.79 -0.18 2.44 2.96 0.18 -2.35 118.68 121.83 1vhk s LEU 199 Ca 0.11 -0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 53.63 1vhk s LEU 199 Cb -0.12 -0.51 -0.05 0.00 0.50 0.00 0.00 46.19 46.01 1vhk s LEU 199 CO 0.02 -0.22 0.15 -0.22 -1.32 0.00 0.00 176.35 174.76 1vhk s LEU 200 N 1.92 4.25 -0.14 -0.68 2.96 -0.64 -0.20 118.68 126.15 1vhk s LEU 200 Ca 0.03 0.31 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 1vhk s LEU 200 Cb -0.14 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.45 1vhk s LEU 200 CO -0.06 0.22 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.35 1vhk s ILE 201 N 0.07 1.99 -0.18 6.68 1.01 -0.75 -0.92 121.20 129.10 1vhk s ILE 201 Ca 0.10 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 1vhk s ILE 201 Cb -0.11 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 1vhk s ILE 201 CO -0.00 0.54 0.14 -0.69 0.00 0.00 0.00 174.94 174.92 1vhk s VAL 202 N 0.86 5.42 -0.05 2.92 1.01 0.71 -1.90 120.40 129.37 1vhk s VAL 202 Ca -0.06 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1vhk s VAL 202 Cb -0.15 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1vhk s VAL 202 CO -0.03 0.47 -0.13 -0.36 0.00 0.00 0.00 175.10 175.05 1vhk s PHE 203 N 0.12 1.47 0.85 5.22 0.40 0.47 -0.62 117.98 125.89 1vhk s PHE 203 Ca 0.10 -0.48 -0.12 0.00 -0.60 0.00 0.00 56.93 55.82 1vhk s PHE 203 Cb -0.11 -1.04 0.10 0.00 0.51 0.00 0.00 43.02 42.48 1vhk s PHE 203 CO -0.01 -0.22 1.15 0.20 0.70 0.00 0.00 175.22 177.04 1vhk s GLY 204 N 0.40 1.59 0.00 4.36 0.00 -1.26 0.40 107.32 112.81 1vhk s GLY 204 Ca -0.10 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1vhk s GLY 204 CO 0.03 -0.02 0.00 -1.55 0.00 0.00 0.00 173.10 171.56 1vhk n PRO 205 N -3.51 0.60 -1.65 2.90 -0.04 -1.26 -4.36 135.00 127.68 1vhk n PRO 205 Ca 0.07 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 63.06 1vhk n PRO 205 Cb 0.59 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.01 1vhk n PRO 205 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1vhk n GLU 206 N -0.53 1.89 0.00 0.54 4.71 -1.26 -0.60 120.64 125.39 1vhk n GLU 206 Ca 0.00 0.68 0.00 0.00 -0.01 0.00 0.00 57.16 57.83 1vhk n GLU 206 Cb 0.00 -2.39 0.00 0.00 -1.01 0.00 0.00 31.44 28.04 1vhk n GLU 206 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1vhk n GLY 207 N 2.95 2.53 0.00 0.62 0.00 -1.26 -4.90 105.19 105.14 1vhk n GLY 207 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1vhk n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vhk n GLY 208 N 0.00 0.05 3.76 -0.02 0.00 0.23 -4.96 105.19 104.25 1vhk n GLY 208 Ca 0.00 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.14 3.02 0.01 0.99 1.43 -1.26 -4.45 118.68 117.27 1vhk s LEU 209 Ca 0.00 1.87 -0.04 0.00 -1.03 0.00 0.00 54.13 54.93 1vhk s LEU 209 Cb 0.00 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 1vhk s LEU 209 CO 0.00 -2.14 0.22 0.28 0.23 0.00 0.00 176.35 174.94 1vhk s THR 210 N -2.86 5.38 0.25 5.49 -1.32 -1.26 -4.96 115.64 116.35 1vhk s THR 210 Ca 0.62 -0.08 -0.06 0.00 -1.21 0.00 0.00 61.69 60.96 1vhk s THR 210 Cb -0.18 -3.56 0.29 0.00 -1.51 0.00 0.00 72.50 67.54 1vhk s THR 210 CO 0.56 0.30 1.63 -0.33 -2.21 0.00 0.00 174.62 174.57 1vhk h GLU 211 N 3.74 0.10 -0.55 7.08 3.07 -1.99 0.19 114.58 126.22 1vhk h GLU 211 Ca -0.49 -0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.44 1vhk h GLU 211 Cb 1.19 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 29.01 1vhk h GLU 211 CO 0.69 0.07 0.21 0.00 -1.40 0.00 0.00 179.01 178.58 1vhk h ALA 212 N 1.73 0.69 -0.43 3.43 0.00 -2.00 -1.45 119.26 121.22 1vhk h ALA 212 Ca 0.43 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 1vhk h ALA 212 Cb 0.76 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1vhk h ALA 212 CO -0.68 -0.18 0.22 0.93 0.00 0.00 0.00 179.25 179.55 1vhk h GLU 213 N 0.41 0.62 -0.56 0.00 5.08 -1.39 -2.91 114.58 115.83 1vhk h GLU 213 Ca 0.26 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1vhk h GLU 213 Cb 0.28 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1vhk h GLU 213 CO -0.25 0.51 0.33 0.28 -1.00 0.00 0.00 179.01 178.88 1vhk h VAL 214 N 0.56 1.04 -0.56 3.13 2.07 0.14 -0.78 116.25 121.85 1vhk h VAL 214 Ca 0.15 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.53 1vhk h VAL 214 Cb 0.09 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 1vhk h VAL 214 CO -0.02 0.12 0.20 -0.08 0.02 0.00 0.00 177.57 177.80 1vhk h GLU 215 N 0.64 0.37 0.00 1.57 4.81 -1.29 0.10 114.58 120.79 1vhk h GLU 215 Ca 0.23 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1vhk h GLU 215 Cb 0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1vhk h GLU 215 CO -0.11 0.24 -0.47 0.00 -0.73 0.00 0.00 179.01 177.94 1vhk h ARG 216 N 0.38 0.00 -0.01 1.92 3.08 -1.24 -0.94 114.38 117.57 1vhk h ARG 216 Ca 0.28 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.17 1vhk h ARG 216 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1vhk h ARG 216 CO -0.28 0.47 -0.75 -0.07 -1.07 0.00 0.00 179.97 178.27 1vhk h LEU 217 N 0.00 0.06 -0.46 3.04 3.38 -0.54 -3.03 115.31 117.77 1vhk h LEU 217 Ca -0.00 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 1vhk h LEU 217 Cb 0.91 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1vhk h LEU 217 CO 0.06 0.78 -0.76 0.74 0.09 0.00 0.00 178.44 179.36 1vhk h THR 218 N 0.03 1.47 -0.18 0.22 2.02 -0.54 -1.50 112.91 114.43 1vhk h THR 218 Ca -0.01 -2.39 -0.03 0.00 0.77 0.00 0.00 66.41 64.75 1vhk h THR 218 Cb 1.32 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 70.01 1vhk h THR 218 CO 0.10 0.70 -0.02 -0.33 0.37 0.00 0.00 175.52 176.34 1vhk h GLU 219 N 0.10 0.25 -0.63 6.66 5.08 -1.12 -2.26 114.58 122.67 1vhk h GLU 219 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1vhk h GLU 219 Cb 1.33 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1vhk h GLU 219 CO 0.11 0.30 0.00 1.04 -1.00 0.00 0.00 179.01 179.46 1vhk n GLN 220 N -4.37 2.87 -0.83 2.33 1.13 -0.90 -4.93 117.38 112.67 1vhk n GLN 220 Ca -0.00 -1.82 0.00 0.00 -1.94 0.00 0.00 57.00 53.23 1vhk n GLN 220 Cb 0.19 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 28.81 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 0.56 -1.92 -4.79 1.08 10.43 -0.85 -4.86 116.55 116.20 1vhk n ASP 221 Ca 0.16 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 57.18 1vhk n ASP 221 Cb 0.66 -0.32 -0.02 0.00 1.84 0.00 0.00 41.12 43.28 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 -1.96 2.45 -0.11 0.44 0.00 -0.61 -4.61 107.32 102.91 1vhk s GLY 222 Ca 0.00 0.60 0.01 0.00 0.00 0.00 0.00 44.72 45.34 1vhk s GLY 222 CO 0.00 0.93 -0.16 0.14 0.00 0.00 0.00 173.10 174.01 1vhk s VAL 223 N -2.05 2.84 0.09 1.40 1.01 0.07 -4.32 120.40 119.43 1vhk s VAL 223 Ca 0.68 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1vhk s VAL 223 Cb -0.18 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1vhk s VAL 223 CO 0.25 0.54 1.04 0.42 0.00 0.00 0.00 175.10 177.36 1vhk s THR 224 N 0.18 4.37 -0.07 3.92 -4.23 -1.26 0.74 115.64 119.29 1vhk s THR 224 Ca -0.09 1.85 -0.04 0.00 -1.18 0.00 0.00 61.69 62.23 1vhk s THR 224 Cb -0.15 -4.18 0.03 0.00 1.34 0.00 0.00 72.50 69.54 1vhk s THR 224 CO 0.05 0.23 0.16 0.00 -0.54 0.00 0.00 174.62 174.52 1vhk s GLY 226 N 0.85 1.64 -0.39 0.00 0.00 -1.24 -2.43 107.32 105.75 1vhk s GLY 226 Ca -0.06 -0.17 0.09 0.00 0.00 0.00 0.00 44.72 44.58 1vhk s GLY 226 CO -0.04 0.18 1.09 1.04 0.00 0.00 0.00 173.10 175.36 1vhk n LEU 227 N -3.06 3.87 0.00 0.66 4.32 -1.26 -4.79 117.00 116.74 1vhk n LEU 227 Ca 0.07 -4.72 0.00 0.00 -0.02 0.00 0.00 56.01 51.33 1vhk n LEU 227 Cb 0.55 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.15 1vhk n LEU 227 CO 0.57 2.02 0.00 0.61 -1.22 0.00 0.00 177.39 179.37 1vhk n GLY 228 N -0.42 0.75 0.03 -0.72 0.00 -1.26 -4.70 105.19 98.86 1vhk n GLY 228 Ca 0.32 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.62 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 1.02 0.43 -3.51 1.61 -0.04 -1.26 -4.84 135.00 128.41 1vhk n PRO 229 Ca 0.00 -0.05 -0.38 0.00 -0.04 0.00 0.00 63.50 63.03 1vhk n PRO 229 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.61 3.91 -0.20 0.54 0.52 -1.26 -5.02 118.95 114.82 1vhk s ARG 230 Ca 0.26 0.40 -0.29 0.00 -0.52 0.00 0.00 55.73 55.58 1vhk s ARG 230 Cb 0.20 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 1vhk s ARG 230 CO 0.48 0.69 1.41 0.42 0.02 0.00 0.00 175.30 178.32 1vhk s ILE 231 N -1.07 4.01 0.03 1.52 1.09 -1.26 -4.98 121.20 120.54 1vhk s ILE 231 Ca 0.24 1.18 -0.21 0.00 -1.10 0.00 0.00 60.65 60.76 1vhk s ILE 231 Cb -0.17 -3.89 -0.06 0.00 -1.06 0.00 0.00 42.46 37.28 1vhk s ILE 231 CO 0.13 -0.25 0.61 -0.76 -0.10 0.00 0.00 174.94 174.57 1vhk s LEU 232 N 4.20 4.46 0.99 2.97 1.02 -1.26 -5.09 118.68 125.97 1vhk s LEU 232 Ca 0.62 1.24 -0.12 0.00 0.02 0.00 0.00 54.13 55.89 1vhk s LEU 232 Cb -0.23 -2.96 0.18 0.00 0.02 0.00 0.00 46.19 43.21 1vhk s LEU 232 CO 0.22 0.15 1.10 -0.13 0.02 0.00 0.00 176.35 177.71 1vhk s ARG 233 N -0.52 0.49 0.49 1.70 0.52 -1.26 -4.78 118.95 115.59 1vhk s ARG 233 Ca 0.31 0.51 0.20 0.00 -0.52 0.00 0.00 55.73 56.22 1vhk s ARG 233 Cb -0.19 -1.75 1.25 0.00 0.52 0.00 0.00 34.95 34.78 1vhk s ARG 233 CO 0.19 -2.69 2.07 0.00 0.02 0.00 0.00 175.30 174.89 1vhk h THR 234 N -1.86 0.91 -0.00 0.02 1.03 -1.88 -1.90 112.91 109.22 1vhk h THR 234 Ca -0.54 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 65.42 1vhk h THR 234 Cb 1.33 1.25 0.00 0.00 -1.07 0.00 0.00 68.15 69.66 1vhk h THR 234 CO 0.58 0.12 -0.79 -1.84 -0.01 0.00 0.00 175.52 173.57 1vhk n GLU 235 N -4.13 0.04 0.01 0.00 0.00 -1.26 -4.18 120.64 111.12 1vhk n GLU 235 Ca -0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 57.16 56.98 1vhk n GLU 235 Cb 0.20 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.00 1vhk n GLU 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1vhk h THR 236 N 0.08 0.97 0.05 3.84 2.02 -1.70 -3.40 112.91 114.77 1vhk h THR 236 Ca 0.00 -2.74 0.01 0.00 0.77 0.00 0.00 66.41 64.45 1vhk h THR 236 Cb 0.51 2.55 -0.02 0.00 -1.74 0.00 0.00 68.15 69.45 1vhk h THR 236 CO 0.00 0.67 -0.12 0.00 0.37 0.00 0.00 175.52 176.44 1vhk h ALA 237 N 0.75 -0.18 -0.39 6.16 0.00 -1.61 0.51 119.26 124.49 1vhk h ALA 237 Ca -0.27 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1vhk h ALA 237 Cb 1.99 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.95 1vhk h ALA 237 CO 0.10 -0.63 0.27 -1.35 0.00 0.00 0.00 179.25 177.64 1vhk h PRO 238 N -0.23 0.32 -0.12 0.00 0.11 -1.81 -2.03 132.00 128.24 1vhk h PRO 238 Ca 0.03 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.98 1vhk h PRO 238 Cb 0.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1vhk h PRO 238 CO -0.08 0.21 -0.52 -0.07 -0.21 0.00 0.00 178.00 177.33 1vhk h LEU 239 N 0.33 0.37 0.01 2.35 3.38 -1.11 -2.07 115.31 118.57 1vhk h LEU 239 Ca 0.17 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1vhk h LEU 239 Cb 0.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1vhk h LEU 239 CO -0.04 0.82 -0.00 0.22 0.09 0.00 0.00 178.44 179.53 1vhk h TYR 240 N 0.26 -0.01 -0.07 1.13 3.20 -1.05 -2.03 116.97 118.41 1vhk h TYR 240 Ca 0.01 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1vhk h TYR 240 Cb 1.00 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 1vhk h TYR 240 CO 0.03 0.30 -0.10 0.00 -1.64 0.00 0.00 178.16 176.75 1vhk h ALA 241 N 0.67 -0.05 -0.99 1.82 0.00 -1.22 0.13 119.26 119.63 1vhk h ALA 241 Ca -0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1vhk h ALA 241 Cb 0.32 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1vhk h ALA 241 CO 0.00 -0.57 0.64 -0.07 0.00 0.00 0.00 179.25 179.26 1vhk h LEU 242 N -0.13 1.07 -0.24 0.00 3.38 -1.45 0.47 115.31 118.41 1vhk h LEU 242 Ca 0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1vhk h LEU 242 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1vhk h LEU 242 CO -0.15 0.73 -0.03 0.28 0.09 0.00 0.00 178.44 179.36 1vhk h SER 243 N 1.24 0.45 -0.69 -0.43 0.02 -0.64 -2.20 113.55 111.30 1vhk h SER 243 Ca 0.39 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1vhk h SER 243 Cb 0.01 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1vhk h SER 243 CO -0.13 0.68 0.44 0.00 -1.14 0.00 0.00 176.83 176.68 1vhk h ALA 244 N 0.78 0.90 -0.46 3.77 0.00 -0.54 -1.42 119.26 122.29 1vhk h ALA 244 Ca 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1vhk h ALA 244 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1vhk h ALA 244 CO 0.02 0.22 0.30 0.82 0.00 0.00 0.00 179.25 180.61 1vhk h ILE 245 N 0.86 1.11 -0.76 0.00 2.04 -0.77 -0.94 117.51 119.05 1vhk h ILE 245 Ca 0.27 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 1vhk h ILE 245 Cb -0.00 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1vhk h ILE 245 CO -0.10 0.11 0.35 -1.28 0.00 0.00 0.00 178.15 177.23 1vhk h SER 246 N 0.62 0.99 0.48 1.72 0.87 -1.30 -1.74 113.55 115.20 1vhk h SER 246 Ca 0.17 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1vhk h SER 246 Cb -0.06 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.64 1vhk h SER 246 CO -0.04 0.85 -0.26 0.22 -0.53 0.00 0.00 176.83 177.07 1vhk h TYR 247 N 1.08 -0.67 0.54 2.24 3.20 -0.07 0.87 116.97 124.16 1vhk h TYR 247 Ca 0.26 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1vhk h TYR 247 Cb 0.14 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1vhk h TYR 247 CO 0.01 -0.41 -0.42 0.37 -1.64 0.00 0.00 178.16 176.08 1vhk h GLN 248 N -0.68 -0.90 -0.00 1.82 5.75 -1.22 -1.33 115.11 118.55 1vhk h GLN 248 Ca -0.06 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1vhk h GLN 248 Cb 0.54 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.30 1vhk h GLN 248 CO 0.08 -0.60 -0.25 0.25 -2.65 0.00 0.00 178.83 175.66 1vhk n THR 249 N -5.53 0.00 0.00 2.39 -2.24 -0.66 -3.06 114.28 105.18 1vhk n THR 249 Ca -0.12 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1vhk n THR 249 Cb 0.42 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1vhk n THR 249 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vhk n GLU 250 N -1.47 0.37 -0.06 -0.78 1.02 0.27 -4.59 120.64 115.39 1vhk n GLU 250 Ca 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.10 1vhk n GLU 250 Cb 0.33 -0.83 -0.15 0.00 -0.02 0.00 0.00 31.44 30.78 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 -2.07 0.64 -0.00 -4.62 4.77 -0.67 -4.33 117.00 110.72 1vhk n LEU 251 Ca 0.00 0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 1vhk n LEU 251 Cb 0.33 0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 41.50 1vhk n LEU 251 CO 0.00 0.49 -0.42 -0.07 -1.33 0.00 0.00 177.39 176.07 1vhk h LEU 252 N 0.00 0.05 -1.71 2.23 3.38 -1.39 -3.50 115.31 114.38 1vhk h LEU 252 Ca -0.44 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1vhk h LEU 252 Cb 2.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.86 1vhk h LEU 252 CO 0.05 1.09 0.00 0.54 0.09 0.00 0.00 178.44 180.20