#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hk0 s LYS 2 N 0.00 3.99 -0.06 1.61 2.20 -1.26 -4.73 119.74 121.49 1hk0 s LYS 2 Ca 0.00 2.20 0.04 0.00 -0.36 0.00 0.00 55.97 57.85 1hk0 s LYS 2 Cb 0.00 -2.79 -0.02 0.00 -1.51 0.00 0.00 37.83 33.51 1hk0 s LYS 2 CO 0.00 -0.49 -0.16 -1.50 -0.36 0.00 0.00 175.35 172.84 1hk0 s ILE 3 N -1.24 2.85 -0.14 5.43 2.07 -0.25 -0.71 121.20 129.21 1hk0 s ILE 3 Ca 0.56 -0.79 0.02 0.00 -1.41 0.00 0.00 60.65 59.03 1hk0 s ILE 3 Cb -0.39 -2.11 0.01 0.00 0.13 0.00 0.00 42.46 40.10 1hk0 s ILE 3 CO 0.51 0.58 -0.20 -0.89 -1.91 0.00 0.00 174.94 173.03 1hk0 s THR 4 N -0.54 2.26 -0.09 4.00 2.01 0.15 -1.00 115.64 122.43 1hk0 s THR 4 Ca 0.07 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 1hk0 s THR 4 Cb -0.11 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1hk0 s THR 4 CO 0.01 0.54 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.67 1hk0 s LEU 5 N 0.81 3.23 0.00 4.42 1.43 0.13 -1.04 118.68 127.66 1hk0 s LEU 5 Ca -0.06 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1hk0 s LEU 5 Cb -0.15 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1hk0 s LEU 5 CO -0.01 0.31 -0.24 -0.31 0.23 0.00 0.00 176.35 176.33 1hk0 s TYR 6 N -0.50 2.18 0.25 0.29 1.51 -0.08 -1.27 117.35 119.73 1hk0 s TYR 6 Ca 0.08 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.80 1hk0 s TYR 6 Cb -0.12 -1.37 0.30 0.00 -0.11 0.00 0.00 41.96 40.66 1hk0 s TYR 6 CO 0.02 0.01 1.59 0.93 -1.11 0.00 0.00 175.55 176.99 1hk0 h GLU 7 N 5.30 0.16 -6.18 -0.62 5.08 -1.14 -0.92 114.58 116.26 1hk0 h GLU 7 Ca -0.43 -0.11 -0.54 0.00 -1.00 0.00 0.00 59.36 57.28 1hk0 h GLU 7 Cb 1.13 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 1hk0 h GLU 7 CO 0.46 0.71 -0.59 -0.51 -1.00 0.00 0.00 179.01 178.08 1hk0 s ASP 8 N -6.88 4.81 0.77 1.42 1.01 -0.77 -3.59 116.67 113.44 1hk0 s ASP 8 Ca -0.03 -0.58 -0.14 0.00 0.71 0.00 0.00 52.55 52.51 1hk0 s ASP 8 Cb 0.12 -0.95 0.06 0.00 1.01 0.00 0.00 42.92 43.17 1hk0 s ASP 8 CO 0.78 -0.08 1.22 0.00 0.21 0.00 0.00 175.17 177.30 1hk0 s ARG 9 N -3.76 1.86 -1.03 8.23 1.70 -1.26 -3.69 118.95 121.01 1hk0 s ARG 9 Ca 0.33 1.81 -0.02 0.00 -0.47 0.00 0.00 55.73 57.39 1hk0 s ARG 9 Cb -0.06 -1.79 0.00 0.00 -0.57 0.00 0.00 34.95 32.53 1hk0 s ARG 9 CO 0.22 -2.06 0.22 0.41 -1.08 0.00 0.00 175.30 173.01 1hk0 n GLY 10 N 0.55 -0.11 3.51 3.88 0.00 -0.16 -3.43 105.19 109.43 1hk0 n GLY 10 Ca 0.14 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1hk0 n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1hk0 n PHE 11 N -4.02 -2.64 -4.39 1.61 3.72 -1.25 -5.00 117.46 105.49 1hk0 n PHE 11 Ca -0.11 0.98 -0.20 0.00 -0.05 0.00 0.00 57.45 58.07 1hk0 n PHE 11 Cb 0.59 -5.00 -0.10 0.00 -0.94 0.00 0.00 39.48 34.03 1hk0 n PHE 11 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1hk0 s GLN 12 N -6.00 1.45 0.92 -1.08 -0.21 -1.22 -5.06 119.66 108.45 1hk0 s GLN 12 Ca 0.40 -1.67 0.00 0.00 0.02 0.00 0.00 55.36 54.11 1hk0 s GLN 12 Cb -0.18 -1.26 0.00 0.00 1.00 0.00 0.00 33.01 32.58 1hk0 s GLN 12 CO 0.72 0.18 0.00 0.41 -2.12 0.00 0.00 175.29 174.48 1hk0 n GLY 13 N -0.47 -2.06 3.73 3.09 0.00 -1.26 -1.85 105.19 106.37 1hk0 n GLY 13 Ca -0.07 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1hk0 n GLY 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hk0 n ARG 14 N 0.00 2.43 -4.22 1.61 0.63 -1.26 -4.69 116.66 111.16 1hk0 n ARG 14 Ca 0.00 0.86 -0.13 0.00 -0.92 0.00 0.00 57.85 57.66 1hk0 n ARG 14 Cb 0.00 -2.53 -0.10 0.00 0.45 0.00 0.00 32.46 30.27 1hk0 n ARG 14 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1hk0 s HIS 15 N -0.85 1.15 -0.10 -0.14 -3.43 -1.26 -0.94 115.29 109.71 1hk0 s HIS 15 Ca 0.57 -1.16 -0.09 0.00 -0.80 0.00 0.00 55.06 53.57 1hk0 s HIS 15 Cb -0.53 -0.64 0.03 0.00 -1.43 0.00 0.00 32.58 30.01 1hk0 s HIS 15 CO 0.60 -0.38 0.27 -0.47 -2.00 0.00 0.00 174.74 172.76 1hk0 s TYR 16 N -3.86 -0.30 -0.10 0.38 5.04 -0.39 -4.97 117.35 113.14 1hk0 s TYR 16 Ca 0.28 0.74 -0.01 0.00 -2.44 0.00 0.00 57.07 55.64 1hk0 s TYR 16 Cb 0.07 0.10 -0.03 0.00 0.35 0.00 0.00 41.96 42.45 1hk0 s TYR 16 CO 0.06 -0.15 -0.04 -1.83 -1.34 0.00 0.00 175.55 172.25 1hk0 s GLU 17 N 0.18 3.12 -0.01 4.97 -1.05 -1.26 -0.69 118.70 123.97 1hk0 s GLU 17 Ca -0.00 -0.51 0.05 0.00 -0.15 0.00 0.00 54.97 54.36 1hk0 s GLU 17 Cb -0.02 -2.74 -0.01 0.00 -0.44 0.00 0.00 34.13 30.91 1hk0 s GLU 17 CO 0.00 0.52 -0.17 0.00 0.95 0.00 0.00 175.26 176.56 1hk0 n SER 19 N 2.55 0.66 -3.85 0.00 7.64 -1.26 -1.09 113.62 118.27 1hk0 n SER 19 Ca -0.15 -0.83 -0.12 0.00 1.01 0.00 0.00 58.87 58.78 1hk0 n SER 19 Cb 0.54 0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 64.23 1hk0 n SER 19 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1hk0 s SER 20 N -0.84 0.27 0.26 6.43 1.04 -1.26 -4.76 113.70 114.84 1hk0 s SER 20 Ca 0.02 -1.22 -0.28 0.00 0.48 0.00 0.00 55.95 54.95 1hk0 s SER 20 Cb 0.03 0.55 -0.15 0.00 0.10 0.00 0.00 66.02 66.54 1hk0 s SER 20 CO 0.09 -1.09 0.91 0.47 0.98 0.00 0.00 173.24 174.60 1hk0 n ASP 21 N -0.63 0.73 -3.85 7.02 8.00 -1.26 -4.74 116.55 121.81 1hk0 n ASP 21 Ca 0.00 1.17 -0.28 0.00 0.71 0.00 0.00 54.79 56.39 1hk0 n ASP 21 Cb 0.63 -1.21 -0.16 0.00 -0.02 0.00 0.00 41.12 40.36 1hk0 n ASP 21 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1hk0 s HIS 22 N -0.98 1.53 -1.09 1.24 2.46 -0.18 -5.01 115.29 113.25 1hk0 s HIS 22 Ca 0.61 -1.04 0.28 0.00 0.47 0.00 0.00 55.06 55.38 1hk0 s HIS 22 Cb -0.76 -1.23 1.06 0.00 -0.13 0.00 0.00 32.58 31.51 1hk0 s HIS 22 CO 0.59 -0.61 1.79 -0.35 -2.47 0.00 0.00 174.74 173.69 1hk0 n PRO 23 N 4.92 0.10 -3.23 2.88 -0.04 -1.26 -1.52 135.00 136.85 1hk0 n PRO 23 Ca -0.11 -0.02 -0.02 0.00 -0.04 0.00 0.00 63.50 63.31 1hk0 n PRO 23 Cb 0.47 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 1hk0 n PRO 23 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1hk0 s ASN 24 N -2.92 -1.02 0.00 3.54 2.47 -1.25 -0.17 114.94 115.59 1hk0 s ASN 24 Ca 0.16 -0.63 0.28 0.00 0.42 0.00 0.00 52.86 53.08 1hk0 s ASN 24 Cb 0.19 1.72 1.27 0.00 -1.45 0.00 0.00 41.25 42.97 1hk0 s ASN 24 CO 0.57 -0.23 1.91 0.18 -3.72 0.00 0.00 177.10 175.81 1hk0 n LEU 25 N 4.71 0.00 -0.31 3.21 4.77 -0.03 -4.38 117.00 124.97 1hk0 n LEU 25 Ca 0.09 0.41 0.06 0.00 -0.03 0.00 0.00 56.01 56.54 1hk0 n LEU 25 Cb 0.54 -0.41 0.22 0.00 -2.33 0.00 0.00 43.42 41.44 1hk0 n LEU 25 CO 0.00 -0.03 1.15 1.56 -1.33 0.00 0.00 177.39 178.74 1hk0 h GLN 26 N 0.00 0.74 0.00 3.23 4.20 -1.76 -0.31 115.11 121.20 1hk0 h GLN 26 Ca 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1hk0 h GLN 26 Cb 0.38 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1hk0 h GLN 26 CO 0.00 0.49 -0.04 -1.35 -0.67 0.00 0.00 178.83 177.26 1hk0 h PRO 27 N 0.76 0.00 0.00 1.46 0.11 -1.99 -3.29 132.00 129.05 1hk0 h PRO 27 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1hk0 h PRO 27 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1hk0 h PRO 27 CO -0.31 0.04 -0.68 0.66 -0.21 0.00 0.00 178.00 177.50 1hk0 n TYR 28 N -3.19 0.00 -3.40 0.65 4.01 -0.24 -4.95 117.16 110.04 1hk0 n TYR 28 Ca -0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.75 1hk0 n TYR 28 Cb 0.26 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 1hk0 n TYR 28 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1hk0 s LEU 29 N -2.71 -1.15 0.26 7.72 2.96 -0.56 -4.64 118.68 120.55 1hk0 s LEU 29 Ca 0.03 1.16 0.22 0.00 -0.22 0.00 0.00 54.13 55.33 1hk0 s LEU 29 Cb 0.09 2.15 0.07 0.00 0.50 0.00 0.00 46.19 49.00 1hk0 s LEU 29 CO 0.49 -0.22 1.17 0.77 -1.32 0.00 0.00 176.35 177.25 1hk0 h SER 30 N 7.95 0.00 -5.03 3.68 4.64 -1.85 -3.38 113.55 119.57 1hk0 h SER 30 Ca -0.19 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.25 1hk0 h SER 30 Cb 1.13 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.11 1hk0 h SER 30 CO 0.15 0.03 0.44 0.00 -0.87 0.00 0.00 176.83 176.58 1hk0 s ARG 31 N -3.31 1.11 -0.15 4.77 1.70 -1.26 -4.97 118.95 116.84 1hk0 s ARG 31 Ca 0.01 -0.54 -0.04 0.00 -0.47 0.00 0.00 55.73 54.69 1hk0 s ARG 31 Cb 0.08 0.43 0.06 0.00 -0.57 0.00 0.00 34.95 34.95 1hk0 s ARG 31 CO 0.76 -0.50 0.11 0.00 -1.08 0.00 0.00 175.30 174.59 1hk0 n ASN 33 N 5.29 1.09 -3.48 0.00 3.02 -0.36 -4.43 115.26 116.39 1hk0 n ASN 33 Ca -0.06 -1.05 -0.10 0.00 -0.03 0.00 0.00 54.58 53.34 1hk0 n ASN 33 Cb 0.49 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.64 1hk0 n ASN 33 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1hk0 s SER 34 N -0.09 -0.47 -0.12 6.41 0.01 -1.13 -3.08 113.70 115.23 1hk0 s SER 34 Ca 0.01 -0.04 -0.23 0.00 1.31 0.00 0.00 55.95 57.00 1hk0 s SER 34 Cb 0.01 0.52 0.06 0.00 0.21 0.00 0.00 66.02 66.82 1hk0 s SER 34 CO 0.01 -0.85 0.57 0.00 0.41 0.00 0.00 173.24 173.38 1hk0 s ALA 35 N -3.51 -1.45 -0.12 1.44 0.00 -0.37 -0.90 121.76 116.86 1hk0 s ALA 35 Ca 0.03 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.30 1hk0 s ALA 35 Cb -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1hk0 s ALA 35 CO -0.10 -0.31 -0.20 1.03 0.00 0.00 0.00 175.76 176.18 1hk0 s ARG 36 N -0.56 2.70 -0.23 0.00 0.52 -0.21 -0.28 118.95 120.89 1hk0 s ARG 36 Ca -0.07 -0.74 -0.06 0.00 -0.52 0.00 0.00 55.73 54.34 1hk0 s ARG 36 Cb -0.03 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.24 1hk0 s ARG 36 CO 0.05 0.02 0.02 0.08 0.02 0.00 0.00 175.30 175.48 1hk0 s VAL 37 N 0.75 3.93 0.18 3.52 1.01 -0.14 -0.68 120.40 128.98 1hk0 s VAL 37 Ca -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1hk0 s VAL 37 Cb -0.16 -2.81 -0.10 0.00 0.00 0.00 0.00 36.38 33.31 1hk0 s VAL 37 CO 0.01 0.38 1.45 0.44 0.00 0.00 0.00 175.10 177.38 1hk0 h ASP 38 N 8.06 0.49 -5.04 3.32 3.32 -1.22 -1.65 116.42 123.71 1hk0 h ASP 38 Ca -0.39 -0.31 0.12 0.00 0.02 0.00 0.00 57.03 56.47 1hk0 h ASP 38 Cb 1.17 -0.14 -0.10 0.00 0.22 0.00 0.00 39.33 40.47 1hk0 h ASP 38 CO 0.59 1.04 0.42 -0.94 -1.72 0.00 0.00 179.24 178.63 1hk0 s SER 39 N -6.96 -0.29 0.12 6.45 1.04 -1.26 -4.83 113.70 107.96 1hk0 s SER 39 Ca -0.06 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1hk0 s SER 39 Cb 0.11 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1hk0 s SER 39 CO 0.84 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1hk0 n GLY 40 N -0.39 -1.42 2.96 7.32 0.00 -1.26 -3.53 105.19 108.87 1hk0 n GLY 40 Ca -0.08 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.49 1hk0 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hk0 s TRP 42 N -0.11 1.07 -0.19 0.00 0.52 -0.03 -1.17 118.94 119.03 1hk0 s TRP 42 Ca 0.02 -0.46 -0.03 0.00 0.02 0.00 0.00 56.10 55.65 1hk0 s TRP 42 Cb -0.02 -0.61 -0.01 0.00 -1.15 0.00 0.00 33.47 31.67 1hk0 s TRP 42 CO -0.00 0.02 -0.06 1.41 0.02 0.00 0.00 176.95 178.33 1hk0 s MET 43 N -1.65 3.43 0.15 4.98 1.75 -0.15 -0.80 119.30 127.01 1hk0 s MET 43 Ca -0.04 -0.62 -0.10 0.00 -1.25 0.00 0.00 55.69 53.68 1hk0 s MET 43 Cb -0.10 -2.90 -0.06 0.00 2.84 0.00 0.00 34.83 34.61 1hk0 s MET 43 CO 0.02 -0.02 0.47 -0.51 -0.65 0.00 0.00 175.02 174.34 1hk0 s LEU 44 N 0.99 4.27 -0.01 4.11 1.43 0.13 -0.80 118.68 128.80 1hk0 s LEU 44 Ca -0.00 0.85 0.04 0.00 -1.03 0.00 0.00 54.13 53.99 1hk0 s LEU 44 Cb -0.15 -3.33 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 1hk0 s LEU 44 CO 0.00 0.06 -0.13 -0.31 0.23 0.00 0.00 176.35 176.20 1hk0 s TYR 45 N -1.60 1.18 0.34 0.29 1.51 -0.36 -0.72 117.35 118.00 1hk0 s TYR 45 Ca 0.40 -0.24 0.06 0.00 -1.01 0.00 0.00 57.07 56.27 1hk0 s TYR 45 Cb -0.13 -0.78 0.61 0.00 -0.11 0.00 0.00 41.96 41.55 1hk0 s TYR 45 CO 0.21 -0.04 1.84 1.49 -1.11 0.00 0.00 175.55 177.93 1hk0 h GLU 46 N 5.93 0.40 -6.16 -0.62 4.22 -1.11 0.44 114.58 117.69 1hk0 h GLU 46 Ca -0.33 -0.11 -0.56 0.00 0.08 0.00 0.00 59.36 58.44 1hk0 h GLU 46 Cb 1.17 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 1hk0 h GLU 46 CO 0.49 0.53 -0.62 -0.65 -2.18 0.00 0.00 179.01 176.58 1hk0 s GLN 47 N -4.73 2.29 0.90 1.92 -0.21 -0.59 -3.57 119.66 115.66 1hk0 s GLN 47 Ca -0.06 -1.48 -0.11 0.00 0.02 0.00 0.00 55.36 53.73 1hk0 s GLN 47 Cb 0.15 -2.14 0.13 0.00 1.00 0.00 0.00 33.01 32.15 1hk0 s GLN 47 CO 0.76 0.28 1.11 -2.14 -2.12 0.00 0.00 175.29 173.19 1hk0 s PRO 48 N -3.72 1.21 -1.38 2.91 0.02 -1.26 -3.60 135.00 129.19 1hk0 s PRO 48 Ca 0.33 1.29 -0.02 0.00 0.02 0.00 0.00 61.00 62.62 1hk0 s PRO 48 Cb -0.05 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.71 1hk0 s PRO 48 CO 0.20 -2.41 0.29 0.09 -0.33 0.00 0.00 177.00 174.84 1hk0 n ASN 49 N -4.06 -5.26 -2.77 2.53 3.02 0.76 -3.49 115.26 105.99 1hk0 n ASN 49 Ca 0.10 -0.14 -0.16 0.00 -0.03 0.00 0.00 54.58 54.35 1hk0 n ASN 49 Cb 0.53 -4.20 0.06 0.00 -0.61 0.00 0.00 39.78 35.56 1hk0 n ASN 49 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1hk0 n TYR 50 N -4.18 -1.93 -4.45 3.10 4.01 -1.25 -5.01 117.16 107.46 1hk0 n TYR 50 Ca -0.14 0.72 -0.23 0.00 -0.16 0.00 0.00 57.90 58.09 1hk0 n TYR 50 Cb 0.63 -4.07 -0.09 0.00 -0.31 0.00 0.00 39.34 35.49 1hk0 n TYR 50 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1hk0 s SER 51 N -3.52 2.33 0.22 7.72 1.04 -1.23 -5.05 113.70 115.22 1hk0 s SER 51 Ca 0.27 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 55.14 1hk0 s SER 51 Cb -0.12 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1hk0 s SER 51 CO 0.53 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1hk0 n GLY 52 N -0.76 -1.56 3.77 7.32 0.00 -1.26 -1.54 105.19 111.15 1hk0 n GLY 52 Ca -0.03 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 1hk0 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hk0 s LEU 53 N 0.00 4.34 0.06 0.99 1.43 -1.26 -4.62 118.68 119.61 1hk0 s LEU 53 Ca 0.00 2.77 0.05 0.00 -1.03 0.00 0.00 54.13 55.92 1hk0 s LEU 53 Cb 0.00 -3.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 1hk0 s LEU 53 CO 0.00 -0.71 -0.08 -1.10 0.23 0.00 0.00 176.35 174.69 1hk0 s GLN 54 N -1.99 2.35 -0.05 1.70 -0.21 -1.26 -1.04 119.66 119.16 1hk0 s GLN 54 Ca 0.52 -0.87 -0.02 0.00 0.02 0.00 0.00 55.36 55.01 1hk0 s GLN 54 Cb -0.41 -2.40 0.03 0.00 1.00 0.00 0.00 33.01 31.23 1hk0 s GLN 54 CO 0.54 0.55 0.08 0.71 -2.12 0.00 0.00 175.29 175.06 1hk0 s TYR 55 N -1.11 -0.04 -0.18 0.91 2.02 0.11 -4.30 117.35 114.76 1hk0 s TYR 55 Ca 0.20 0.32 -0.23 0.00 -0.37 0.00 0.00 57.07 56.98 1hk0 s TYR 55 Cb -0.11 -0.27 -0.02 0.00 -0.40 0.00 0.00 41.96 41.16 1hk0 s TYR 55 CO 0.11 -0.16 0.73 0.12 -1.57 0.00 0.00 175.55 174.78 1hk0 s PHE 56 N 1.56 3.40 0.17 2.71 5.36 -1.26 -0.69 117.98 129.23 1hk0 s PHE 56 Ca -0.04 1.09 0.09 0.00 -0.96 0.00 0.00 56.93 57.12 1hk0 s PHE 56 Cb -0.12 -2.90 -0.04 0.00 -0.34 0.00 0.00 43.02 39.62 1hk0 s PHE 56 CO -0.04 -0.19 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.82 1hk0 s LEU 57 N 1.97 2.43 0.31 6.12 1.02 0.02 -4.94 118.68 125.61 1hk0 s LEU 57 Ca 0.33 -0.86 0.03 0.00 0.02 0.00 0.00 54.13 53.66 1hk0 s LEU 57 Cb -0.16 -0.93 -0.02 0.00 0.02 0.00 0.00 46.19 45.09 1hk0 s LEU 57 CO 0.12 0.02 0.31 0.00 0.02 0.00 0.00 176.35 176.81 1hk0 s ARG 58 N -2.72 1.70 -0.21 1.70 1.04 -1.26 -0.85 118.95 118.36 1hk0 s ARG 58 Ca 0.17 -1.87 -0.42 0.00 -1.04 0.00 0.00 55.73 52.56 1hk0 s ARG 58 Cb -0.07 0.35 -0.19 0.00 -2.04 0.00 0.00 34.95 33.00 1hk0 s ARG 58 CO 0.07 -0.65 1.36 -2.13 -0.04 0.00 0.00 175.30 173.92 1hk0 n ARG 59 N -0.55 0.22 -0.77 3.89 0.63 -0.30 -4.58 116.66 115.19 1hk0 n ARG 59 Ca 0.05 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1hk0 n ARG 59 Cb 0.63 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.93 1hk0 n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1hk0 n GLY 60 N 2.78 0.39 3.45 5.14 0.00 -0.62 -4.95 105.19 111.39 1hk0 n GLY 60 Ca 0.25 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 1hk0 n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hk0 s ASP 61 N -1.78 4.29 -0.33 1.61 -0.00 -1.26 -0.97 116.67 118.23 1hk0 s ASP 61 Ca 0.00 -0.21 0.03 0.00 -0.00 0.00 0.00 52.55 52.37 1hk0 s ASP 61 Cb 0.00 -1.44 0.10 0.00 -0.00 0.00 0.00 42.92 41.57 1hk0 s ASP 61 CO 0.00 0.23 0.05 -0.31 -0.00 0.00 0.00 175.17 175.14 1hk0 s TYR 62 N -0.03 3.24 -0.05 4.23 1.51 0.62 -5.01 117.35 121.87 1hk0 s TYR 62 Ca -0.02 -2.65 0.25 0.00 -1.01 0.00 0.00 57.07 53.64 1hk0 s TYR 62 Cb -0.14 -2.57 0.81 0.00 -0.11 0.00 0.00 41.96 39.95 1hk0 s TYR 62 CO 0.04 -0.92 1.77 0.00 -1.11 0.00 0.00 175.55 175.32 1hk0 h ALA 63 N 7.74 0.97 -2.56 3.71 0.00 -1.87 -0.99 119.26 126.25 1hk0 h ALA 63 Ca -0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1hk0 h ALA 63 Cb 1.02 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 1hk0 h ALA 63 CO 0.50 0.18 -0.34 -0.51 0.00 0.00 0.00 179.25 179.08 1hk0 s ASP 64 N -6.09 0.08 0.49 0.00 1.01 -1.23 -0.99 116.67 109.94 1hk0 s ASP 64 Ca 0.03 -0.71 0.27 0.00 0.71 0.00 0.00 52.55 52.84 1hk0 s ASP 64 Cb 0.08 0.38 1.25 0.00 1.01 0.00 0.00 42.92 45.64 1hk0 s ASP 64 CO 0.63 -0.79 1.97 1.12 0.21 0.00 0.00 175.17 178.31 1hk0 h HIS 65 N 2.66 0.00 0.00 4.23 2.07 -1.83 -0.96 115.15 121.32 1hk0 h HIS 65 Ca -0.33 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.16 1hk0 h HIS 65 Cb 1.21 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.19 1hk0 h HIS 65 CO 0.41 0.16 -0.13 1.96 -3.07 0.00 0.00 177.93 177.26 1hk0 h GLN 66 N 0.00 0.00 0.00 5.12 7.50 -1.92 -0.34 115.11 125.47 1hk0 h GLN 66 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1hk0 h GLN 66 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.04 1hk0 h GLN 66 CO 0.02 0.13 0.00 1.96 -1.50 0.00 0.00 178.83 179.44 1hk0 h GLN 67 N 0.00 0.00 -0.34 1.46 4.20 -1.53 -1.27 115.11 117.63 1hk0 h GLN 67 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1hk0 h GLN 67 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1hk0 h GLN 67 CO 0.02 0.00 0.00 -2.67 -0.67 0.00 0.00 178.83 175.51 1hk0 n TRP 68 N -2.55 1.12 -1.38 2.96 2.14 -0.97 -4.96 117.44 113.80 1hk0 n TRP 68 Ca 0.01 -0.80 -0.13 0.00 2.07 0.00 0.00 57.50 58.64 1hk0 n TRP 68 Cb 0.22 -0.32 -0.06 0.00 -0.81 0.00 0.00 31.31 30.34 1hk0 n TRP 68 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 1hk0 n MET 69 N -0.14 -0.92 -1.89 -2.67 2.81 -0.48 -4.65 117.12 109.18 1hk0 n MET 69 Ca 0.22 0.96 -0.41 0.00 -1.81 0.00 0.00 57.70 56.66 1hk0 n MET 69 Cb 0.90 -5.03 -0.01 0.00 -0.71 0.00 0.00 33.22 28.37 1hk0 n MET 69 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1hk0 s GLY 70 N -2.86 2.51 0.23 3.03 0.00 -0.18 -4.92 107.32 105.14 1hk0 s GLY 70 Ca 0.00 1.47 0.24 0.00 0.00 0.00 0.00 44.72 46.43 1hk0 s GLY 70 CO 0.00 2.32 1.45 1.41 0.00 0.00 0.00 173.10 178.28 1hk0 h LEU 71 N 4.19 0.00 0.00 0.66 3.38 -1.93 -3.38 115.31 118.22 1hk0 h LEU 71 Ca -0.48 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.34 1hk0 h LEU 71 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1hk0 h LEU 71 CO 0.73 0.04 0.06 -1.54 0.09 0.00 0.00 178.44 177.82 1hk0 n SER 72 N -2.47 -1.14 -1.34 -0.43 3.41 -1.26 -5.04 113.62 105.35 1hk0 n SER 72 Ca 0.03 -2.01 0.06 0.00 -0.26 0.00 0.00 58.87 56.69 1hk0 n SER 72 Cb 0.48 1.96 0.27 0.00 -0.26 0.00 0.00 64.21 66.65 1hk0 n SER 72 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1hk0 n ASP 73 N -1.52 3.92 -4.56 4.04 5.68 -1.26 -4.87 116.55 117.97 1hk0 n ASP 73 Ca -0.03 -2.48 -0.43 0.00 -0.50 0.00 0.00 54.79 51.35 1hk0 n ASP 73 Cb 0.35 -0.56 -0.04 0.00 -1.14 0.00 0.00 41.12 39.73 1hk0 n ASP 73 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1hk0 s SER 74 N -0.66 6.48 -0.13 -1.12 0.15 -1.26 -0.37 113.70 116.79 1hk0 s SER 74 Ca 0.37 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 57.08 1hk0 s SER 74 Cb 0.26 -2.46 0.04 0.00 -1.71 0.00 0.00 66.02 62.15 1hk0 s SER 74 CO 0.14 -1.11 -0.03 -0.69 1.20 0.00 0.00 173.24 172.76 1hk0 s VAL 75 N 3.89 0.77 0.00 4.45 1.01 -1.26 -4.30 120.40 124.96 1hk0 s VAL 75 Ca 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1hk0 s VAL 75 Cb -0.10 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1hk0 s VAL 75 CO 0.26 0.15 0.24 0.54 0.00 0.00 0.00 175.10 176.29 1hk0 n ARG 76 N 5.00 1.56 -3.70 2.72 1.74 0.13 -4.82 116.66 119.29 1hk0 n ARG 76 Ca -0.10 -0.24 -0.10 0.00 -0.77 0.00 0.00 57.85 56.64 1hk0 n ARG 76 Cb 0.49 -0.70 -0.03 0.00 -1.02 0.00 0.00 32.46 31.19 1hk0 n ARG 76 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1hk0 s SER 77 N -0.29 -0.32 -0.10 0.55 1.04 -1.14 -0.85 113.70 112.59 1hk0 s SER 77 Ca 0.00 -0.42 -0.16 0.00 0.48 0.00 0.00 55.95 55.85 1hk0 s SER 77 Cb 0.00 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.77 1hk0 s SER 77 CO 0.00 -1.10 0.41 0.00 0.98 0.00 0.00 173.24 173.54 1hk0 s ARG 79 N -0.44 2.91 -0.24 0.00 3.52 0.02 -1.01 118.95 123.70 1hk0 s ARG 79 Ca -0.06 -0.87 -0.29 0.00 -0.13 0.00 0.00 55.73 54.38 1hk0 s ARG 79 Cb -0.03 -2.28 0.01 0.00 -1.56 0.00 0.00 34.95 31.09 1hk0 s ARG 79 CO 0.03 0.25 1.09 -1.17 -0.81 0.00 0.00 175.30 174.68 1hk0 s LEU 80 N 0.17 4.06 -0.15 -0.88 2.96 -1.26 -0.98 118.68 122.60 1hk0 s LEU 80 Ca -0.13 1.34 -0.23 0.00 -0.22 0.00 0.00 54.13 54.88 1hk0 s LEU 80 Cb -0.16 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1hk0 s LEU 80 CO 0.07 -0.74 0.71 -0.63 -1.32 0.00 0.00 176.35 174.44 1hk0 s ILE 81 N 3.38 4.99 0.28 6.68 1.01 -0.31 -4.89 121.20 132.33 1hk0 s ILE 81 Ca 0.46 1.40 -0.30 0.00 0.00 0.00 0.00 60.65 62.21 1hk0 s ILE 81 Cb -0.15 -4.03 -0.12 0.00 0.01 0.00 0.00 42.46 38.17 1hk0 s ILE 81 CO 0.10 0.13 1.59 -2.65 0.00 0.00 0.00 174.94 174.10 1hk0 n PRO 82 N 4.72 2.63 -1.85 2.79 -0.02 -1.26 -4.55 135.00 137.46 1hk0 n PRO 82 Ca 0.00 0.94 -0.38 0.00 -2.02 0.00 0.00 63.50 62.04 1hk0 n PRO 82 Cb 0.50 -2.71 0.04 0.00 -0.02 0.00 0.00 33.50 31.31 1hk0 n PRO 82 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1hk0 s HIS 83 N 0.10 2.30 0.00 6.00 5.65 -1.26 -4.66 115.29 123.42 1hk0 s HIS 83 Ca 0.66 1.43 0.00 0.00 0.25 0.00 0.00 55.06 57.40 1hk0 s HIS 83 Cb -0.52 -3.70 -0.00 0.00 -1.18 0.00 0.00 32.58 27.18 1hk0 s HIS 83 CO 0.47 -2.70 -0.01 0.45 -0.65 0.00 0.00 174.74 172.30 1hk0 s SER 84 N -1.19 0.13 0.23 9.88 0.15 -1.26 -4.99 113.70 116.65 1hk0 s SER 84 Ca 0.74 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1hk0 s SER 84 Cb -0.37 0.01 0.25 0.00 -1.71 0.00 0.00 66.02 64.20 1hk0 s SER 84 CO 0.43 -0.06 1.59 1.23 1.20 0.00 0.00 173.24 177.63 1hk0 h GLY 85 N 5.80 0.50 -2.62 9.45 0.00 -1.97 -3.47 103.07 110.77 1hk0 h GLY 85 Ca -0.26 -0.52 -0.34 0.00 0.00 0.00 0.00 47.33 46.20 1hk0 h GLY 85 CO 0.49 0.47 -0.68 -1.35 0.00 0.00 0.00 176.54 175.47 1hk0 s SER 87 N -6.87 1.69 -0.01 0.19 1.04 -1.26 -5.15 113.70 103.32 1hk0 s SER 87 Ca -0.06 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.24 1hk0 s SER 87 Cb 0.12 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.27 1hk0 s SER 87 CO 0.81 -0.46 -0.05 -1.00 0.98 0.00 0.00 173.24 173.52 1hk0 s HIS 88 N -3.44 0.50 -0.25 5.02 0.09 -1.26 -3.18 115.29 112.77 1hk0 s HIS 88 Ca 0.24 -0.10 -0.15 0.00 -0.00 0.00 0.00 55.06 55.05 1hk0 s HIS 88 Cb 0.05 -0.35 0.07 0.00 -0.00 0.00 0.00 32.58 32.35 1hk0 s HIS 88 CO 0.05 -0.03 0.63 0.50 -0.00 0.00 0.00 174.74 175.89 1hk0 s ARG 89 N 0.02 0.65 -0.05 1.40 3.52 -0.12 -4.33 118.95 120.04 1hk0 s ARG 89 Ca 0.00 1.11 -0.05 0.00 -0.13 0.00 0.00 55.73 56.66 1hk0 s ARG 89 Cb -0.04 0.13 0.01 0.00 -1.56 0.00 0.00 34.95 33.49 1hk0 s ARG 89 CO -0.00 -0.15 0.14 -1.50 -0.81 0.00 0.00 175.30 172.99 1hk0 s ILE 90 N 1.47 0.00 -0.19 4.11 2.07 -0.43 -1.46 121.20 126.77 1hk0 s ILE 90 Ca -0.09 -0.04 -0.05 0.00 -1.41 0.00 0.00 60.65 59.07 1hk0 s ILE 90 Cb -0.06 -0.22 -0.02 0.00 0.13 0.00 0.00 42.46 42.29 1hk0 s ILE 90 CO -0.16 -0.02 -0.01 -0.13 -1.91 0.00 0.00 174.94 172.71 1hk0 s ARG 91 N 0.00 3.63 -0.16 3.50 0.52 -0.36 -1.20 118.95 124.88 1hk0 s ARG 91 Ca -0.01 -0.52 -0.01 0.00 -0.52 0.00 0.00 55.73 54.67 1hk0 s ARG 91 Cb -0.01 -3.05 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 1hk0 s ARG 91 CO 0.00 0.06 -0.11 -0.51 0.02 0.00 0.00 175.30 174.77 1hk0 s LEU 92 N 0.86 2.72 0.01 2.53 1.43 0.19 -1.00 118.68 125.43 1hk0 s LEU 92 Ca 0.01 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1hk0 s LEU 92 Cb -0.14 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1hk0 s LEU 92 CO 0.02 0.09 -0.06 -0.31 0.23 0.00 0.00 176.35 176.32 1hk0 s TYR 93 N 0.79 2.89 0.22 0.29 1.51 -0.03 -1.06 117.35 121.97 1hk0 s TYR 93 Ca -0.04 -0.04 -0.08 0.00 -1.01 0.00 0.00 57.07 55.90 1hk0 s TYR 93 Cb -0.15 -1.60 0.19 0.00 -0.11 0.00 0.00 41.96 40.29 1hk0 s TYR 93 CO 0.01 0.38 1.87 1.49 -1.11 0.00 0.00 175.55 178.19 1hk0 h GLU 94 N 4.41 1.16 -5.65 -0.62 4.81 -1.11 -1.31 114.58 116.26 1hk0 h GLU 94 Ca -0.48 -0.11 -0.55 0.00 -0.13 0.00 0.00 59.36 58.09 1hk0 h GLU 94 Cb 1.17 -0.24 -0.14 0.00 0.63 0.00 0.00 28.75 30.17 1hk0 h GLU 94 CO 0.54 0.82 -0.67 1.03 -0.73 0.00 0.00 179.01 180.00 1hk0 s ARG 95 N -5.96 1.68 0.79 1.92 0.52 -0.69 -3.86 118.95 113.36 1hk0 s ARG 95 Ca -0.13 -1.87 -0.14 0.00 -0.52 0.00 0.00 55.73 53.07 1hk0 s ARG 95 Cb 0.16 -1.36 0.07 0.00 0.52 0.00 0.00 34.95 34.34 1hk0 s ARG 95 CO 0.81 0.05 1.21 -1.91 0.02 0.00 0.00 175.30 175.49 1hk0 n GLU 96 N -0.69 0.27 -3.05 3.54 2.13 -1.25 -3.46 120.64 118.12 1hk0 n GLU 96 Ca -0.05 0.17 -0.22 0.00 0.66 0.00 0.00 57.16 57.71 1hk0 n GLU 96 Cb 0.64 -2.45 0.04 0.00 0.27 0.00 0.00 31.44 29.94 1hk0 n GLU 96 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1hk0 n ASP 97 N -3.16 -6.11 -2.54 4.31 9.92 -0.45 -2.48 116.55 116.04 1hk0 n ASP 97 Ca 0.14 -0.30 -0.19 0.00 -0.53 0.00 0.00 54.79 53.90 1hk0 n ASP 97 Cb 0.50 -4.91 0.02 0.00 -0.64 0.00 0.00 41.12 36.10 1hk0 n ASP 97 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1hk0 n TYR 98 N -4.55 -1.56 -3.79 1.24 4.01 -1.24 -5.00 117.16 106.26 1hk0 n TYR 98 Ca -0.10 0.38 -0.21 0.00 -0.16 0.00 0.00 57.90 57.81 1hk0 n TYR 98 Cb 0.61 -3.97 -0.03 0.00 -0.31 0.00 0.00 39.34 35.64 1hk0 n TYR 98 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1hk0 s ARG 99 N -5.43 2.88 1.37 -0.72 1.81 -1.04 -5.01 118.95 112.82 1hk0 s ARG 99 Ca 0.22 -1.17 0.00 0.00 -1.72 0.00 0.00 55.73 53.06 1hk0 s ARG 99 Cb -0.10 -2.59 0.00 0.00 -0.45 0.00 0.00 34.95 31.81 1hk0 s ARG 99 CO 0.27 0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.45 1hk0 n GLY 100 N -1.40 -1.88 3.74 -3.53 0.00 -1.26 -1.70 105.19 99.16 1hk0 n GLY 100 Ca -0.03 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 1hk0 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hk0 s GLN 101 N 0.00 2.14 -0.03 1.61 -1.52 -1.26 -4.74 119.66 115.85 1hk0 s GLN 101 Ca 0.00 1.43 -0.07 0.00 -1.95 0.00 0.00 55.36 54.77 1hk0 s GLN 101 Cb 0.00 -1.86 0.01 0.00 -0.22 0.00 0.00 33.01 30.94 1hk0 s GLN 101 CO 0.00 -1.77 0.17 1.41 -0.25 0.00 0.00 175.29 174.85 1hk0 s MET 102 N -4.42 0.36 -0.00 2.91 -2.45 -1.26 -0.90 119.30 113.54 1hk0 s MET 102 Ca 0.67 -0.07 0.06 0.00 -1.25 0.00 0.00 55.69 55.09 1hk0 s MET 102 Cb -0.22 0.16 -0.02 0.00 1.25 0.00 0.00 34.83 36.01 1hk0 s MET 102 CO 0.50 -0.07 -0.18 -1.50 1.05 0.00 0.00 175.02 174.82 1hk0 s ILE 103 N -0.66 1.43 -0.09 10.11 2.07 -0.22 -4.96 121.20 128.88 1hk0 s ILE 103 Ca -0.07 -0.83 0.03 0.00 -1.41 0.00 0.00 60.65 58.37 1hk0 s ILE 103 Cb -0.04 -1.20 -0.01 0.00 0.13 0.00 0.00 42.46 41.33 1hk0 s ILE 103 CO 0.01 0.36 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.51 1hk0 s GLU 104 N -0.55 2.95 0.04 3.50 2.12 -1.26 -0.63 118.70 124.86 1hk0 s GLU 104 Ca 0.07 -0.79 0.08 0.00 0.36 0.00 0.00 54.97 54.68 1hk0 s GLU 104 Cb -0.07 -2.39 -0.02 0.00 0.26 0.00 0.00 34.13 31.90 1hk0 s GLU 104 CO -0.00 0.31 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.75 1hk0 s PHE 105 N 0.05 1.93 0.00 5.30 0.40 -0.34 -4.99 117.98 120.33 1hk0 s PHE 105 Ca -0.08 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1hk0 s PHE 105 Cb -0.15 -1.17 0.00 0.00 0.51 0.00 0.00 43.02 42.21 1hk0 s PHE 105 CO 0.05 0.08 0.61 0.25 0.70 0.00 0.00 175.22 176.92 1hk0 n THR 106 N 1.93 0.30 -4.28 0.64 -2.24 -1.26 -1.31 114.28 108.05 1hk0 n THR 106 Ca -0.17 -0.59 -0.15 0.00 -2.27 0.00 0.00 64.05 60.87 1hk0 n THR 106 Cb 0.53 0.92 -0.10 0.00 -2.10 0.00 0.00 70.33 69.58 1hk0 n THR 106 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1hk0 s GLU 107 N -0.30 1.28 0.65 -0.78 2.02 -1.26 -4.63 118.70 115.68 1hk0 s GLU 107 Ca 0.00 -1.67 -0.18 0.00 0.02 0.00 0.00 54.97 53.14 1hk0 s GLU 107 Cb 0.00 -0.23 -0.01 0.00 0.10 0.00 0.00 34.13 33.98 1hk0 s GLU 107 CO 0.00 -0.24 1.30 -0.51 0.02 0.00 0.00 175.26 175.84 1hk0 s ASP 108 N -3.25 4.60 -0.20 -0.19 1.01 -1.26 -4.86 116.67 112.51 1hk0 s ASP 108 Ca 0.32 2.65 -0.01 0.00 0.71 0.00 0.00 52.55 56.22 1hk0 s ASP 108 Cb 0.07 -2.62 0.05 0.00 1.01 0.00 0.00 42.92 41.43 1hk0 s ASP 108 CO 0.10 -2.01 -0.02 0.00 0.21 0.00 0.00 175.17 173.44 1hk0 h SER 110 N 8.10 0.00 -1.91 0.00 4.64 -1.89 -1.42 113.55 121.07 1hk0 h SER 110 Ca -0.19 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.94 1hk0 h SER 110 Cb 1.10 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.89 1hk0 h SER 110 CO 0.38 0.00 -0.52 0.00 -0.87 0.00 0.00 176.83 175.82 1hk0 h LEU 112 N 8.19 1.00 -0.07 0.00 5.85 -1.24 -2.29 115.31 126.76 1hk0 h LEU 112 Ca -0.16 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1hk0 h LEU 112 Cb 1.14 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1hk0 h LEU 112 CO 0.28 0.70 0.00 0.00 -0.34 0.00 0.00 178.44 179.08 1hk0 n GLN 113 N -4.43 0.04 0.26 1.25 3.00 -1.25 -0.98 117.38 115.27 1hk0 n GLN 113 Ca 0.12 0.17 0.13 0.00 -0.01 0.00 0.00 57.00 57.41 1hk0 n GLN 113 Cb 0.08 -1.57 0.67 0.00 0.00 0.00 0.00 30.24 29.42 1hk0 n GLN 113 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1hk0 h ASP 114 N 0.00 0.00 0.00 1.08 3.32 -1.81 -3.35 116.42 115.66 1hk0 h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1hk0 h ASP 114 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1hk0 h ASP 114 CO 0.00 0.13 -0.97 0.54 -1.72 0.00 0.00 179.24 177.21 1hk0 n ARG 115 N -3.44 0.45 -3.65 3.56 5.12 -0.31 -5.02 116.66 113.38 1hk0 n ARG 115 Ca -0.01 -0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 55.78 1hk0 n ARG 115 Cb 0.30 -0.99 -0.12 0.00 -1.16 0.00 0.00 32.46 30.49 1hk0 n ARG 115 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1hk0 s PHE 116 N -2.00 -0.52 -1.39 -1.55 5.36 -0.15 -5.06 117.98 112.67 1hk0 s PHE 116 Ca -0.00 1.08 -0.07 0.00 -0.96 0.00 0.00 56.93 56.98 1hk0 s PHE 116 Cb 0.01 0.04 0.08 0.00 -0.34 0.00 0.00 43.02 42.80 1hk0 s PHE 116 CO 0.03 -0.40 2.47 0.54 -1.46 0.00 0.00 175.22 176.40 1hk0 n ARG 117 N 5.36 4.31 -3.76 10.12 5.12 -1.26 -3.92 116.66 132.63 1hk0 n ARG 117 Ca -0.07 -3.19 -0.13 0.00 -1.93 0.00 0.00 57.85 52.54 1hk0 n ARG 117 Cb 0.50 -2.70 -0.13 0.00 -1.16 0.00 0.00 32.46 28.96 1hk0 n ARG 117 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1hk0 s PHE 118 N -0.27 -0.24 -0.67 -1.55 0.40 -1.26 -5.04 117.98 109.36 1hk0 s PHE 118 Ca 0.56 0.60 0.25 0.00 -0.60 0.00 0.00 56.93 57.75 1hk0 s PHE 118 Cb 0.18 0.00 0.68 0.00 0.51 0.00 0.00 43.02 44.39 1hk0 s PHE 118 CO -0.08 -0.17 1.69 -0.91 0.70 0.00 0.00 175.22 176.45 1hk0 h ASN 119 N 6.89 0.00 -4.12 1.36 2.35 -1.89 -3.43 115.58 116.73 1hk0 h ASN 119 Ca -0.38 -0.02 -0.61 0.00 -0.55 0.00 0.00 56.30 54.73 1hk0 h ASN 119 Cb 1.16 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.30 1hk0 h ASN 119 CO 0.40 0.01 -0.85 -1.61 -1.65 0.00 0.00 177.43 173.73 1hk0 s GLU 120 N -3.13 1.31 -0.16 0.81 2.02 -1.26 -2.42 118.70 115.87 1hk0 s GLU 120 Ca 0.09 -1.18 0.01 0.00 0.02 0.00 0.00 54.97 53.91 1hk0 s GLU 120 Cb 0.11 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.73 1hk0 s GLU 120 CO 0.62 0.39 -0.17 0.42 0.02 0.00 0.00 175.26 176.55 1hk0 s ILE 121 N -1.04 2.52 -1.24 -1.63 -1.09 -0.51 -4.79 121.20 113.43 1hk0 s ILE 121 Ca 0.09 -0.82 0.16 0.00 -2.23 0.00 0.00 60.65 57.85 1hk0 s ILE 121 Cb -0.10 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.67 1hk0 s ILE 121 CO 0.04 0.52 0.79 1.41 -1.23 0.00 0.00 174.94 176.47 1hk0 n HIS 122 N 4.12 0.00 -3.51 3.97 8.25 -0.50 -4.71 115.22 122.84 1hk0 n HIS 122 Ca -0.19 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.17 1hk0 n HIS 122 Cb 0.52 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.61 1hk0 n HIS 122 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1hk0 s SER 123 N -2.04 -0.43 0.04 0.41 1.04 -1.22 -3.69 113.70 107.80 1hk0 s SER 123 Ca 0.11 -0.06 -0.25 0.00 0.48 0.00 0.00 55.95 56.22 1hk0 s SER 123 Cb 0.12 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.80 1hk0 s SER 123 CO 0.47 -0.82 0.59 -1.48 0.98 0.00 0.00 173.24 172.98 1hk0 s LEU 124 N -2.65 -0.38 -0.17 2.42 0.05 -0.12 -0.85 118.68 117.00 1hk0 s LEU 124 Ca 0.04 0.33 0.01 0.00 0.05 0.00 0.00 54.13 54.56 1hk0 s LEU 124 Cb -0.01 2.36 0.03 0.00 -2.05 0.00 0.00 46.19 46.52 1hk0 s LEU 124 CO -0.09 -0.73 -0.13 0.21 -0.55 0.00 0.00 176.35 175.06 1hk0 s ASN 125 N -1.85 2.92 -0.74 1.48 3.04 -0.17 -1.21 114.94 118.41 1hk0 s ASN 125 Ca -0.06 -0.62 -0.18 0.00 0.04 0.00 0.00 52.86 52.05 1hk0 s ASN 125 Cb -0.01 -1.22 0.14 0.00 -1.54 0.00 0.00 41.25 38.62 1hk0 s ASN 125 CO 0.00 -0.08 0.84 -0.69 -3.04 0.00 0.00 177.10 174.13 1hk0 s VAL 126 N 1.45 4.97 0.04 -5.21 1.01 -0.59 -1.22 120.40 120.85 1hk0 s VAL 126 Ca 0.03 -1.49 -0.16 0.00 0.00 0.00 0.00 61.98 60.36 1hk0 s VAL 126 Cb -0.14 -4.57 -0.25 0.00 0.00 0.00 0.00 36.38 31.42 1hk0 s VAL 126 CO -0.10 -1.21 1.12 -0.07 0.00 0.00 0.00 175.10 174.84 1hk0 h LEU 127 N 9.60 0.77 -7.56 3.92 3.38 -1.53 -2.40 115.31 121.49 1hk0 h LEU 127 Ca -0.08 -0.78 -0.28 0.00 0.09 0.00 0.00 57.88 56.83 1hk0 h LEU 127 Cb 1.06 -0.24 -0.33 0.00 0.09 0.00 0.00 40.66 41.24 1hk0 h LEU 127 CO 1.02 1.46 -0.72 -1.61 0.09 0.00 0.00 178.44 178.68 1hk0 s GLU 128 N -3.15 -0.02 0.08 1.13 2.02 -0.82 -4.92 118.70 113.03 1hk0 s GLU 128 Ca -0.11 0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.04 1hk0 s GLU 128 Cb 0.05 -0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.09 1hk0 s GLU 128 CO 0.89 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.45 1hk0 n GLY 129 N 3.93 -2.09 3.88 -1.39 0.00 -1.19 -0.94 105.19 107.39 1hk0 n GLY 129 Ca -0.24 -1.43 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 1hk0 n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hk0 s SER 130 N -5.35 6.06 0.06 1.61 0.01 -1.26 -3.86 113.70 110.98 1hk0 s SER 130 Ca 0.00 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1hk0 s SER 130 Cb 0.00 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1hk0 s SER 130 CO 0.00 0.11 -0.04 0.26 0.41 0.00 0.00 173.24 173.98 1hk0 s TRP 131 N -1.60 0.62 -0.18 2.43 0.52 -0.25 -0.72 118.94 119.76 1hk0 s TRP 131 Ca 0.33 -0.95 -0.02 0.00 0.02 0.00 0.00 56.10 55.48 1hk0 s TRP 131 Cb -0.12 -0.41 -0.01 0.00 -1.15 0.00 0.00 33.47 31.78 1hk0 s TRP 131 CO 0.26 -0.28 -0.09 0.08 0.02 0.00 0.00 176.95 176.94 1hk0 s VAL 132 N -3.51 3.11 -0.06 4.03 1.01 0.45 -0.49 120.40 124.93 1hk0 s VAL 132 Ca 0.06 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 1hk0 s VAL 132 Cb 0.05 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1hk0 s VAL 132 CO -0.07 0.47 0.43 -0.22 0.00 0.00 0.00 175.10 175.71 1hk0 s LEU 133 N 1.05 4.38 -0.03 3.92 2.96 -0.28 -1.26 118.68 129.41 1hk0 s LEU 133 Ca -0.00 0.86 0.07 0.00 -0.22 0.00 0.00 54.13 54.84 1hk0 s LEU 133 Cb -0.15 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 1hk0 s LEU 133 CO -0.01 0.18 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.63 1hk0 s TYR 134 N -0.26 2.39 0.33 5.38 1.51 -0.14 -0.76 117.35 125.80 1hk0 s TYR 134 Ca 0.24 -0.52 0.06 0.00 -1.01 0.00 0.00 57.07 55.84 1hk0 s TYR 134 Cb -0.16 -1.54 0.71 0.00 -0.11 0.00 0.00 41.96 40.87 1hk0 s TYR 134 CO 0.11 -0.09 1.87 1.49 -1.11 0.00 0.00 175.55 177.83 1hk0 h GLU 135 N 5.68 0.79 -6.39 -0.62 4.81 -1.20 -0.24 114.58 117.40 1hk0 h GLU 135 Ca -0.39 -0.05 -0.62 0.00 -0.13 0.00 0.00 59.36 58.17 1hk0 h GLU 135 Cb 1.14 -0.18 -0.18 0.00 0.63 0.00 0.00 28.75 30.17 1hk0 h GLU 135 CO 0.47 0.52 -0.80 -0.51 -0.73 0.00 0.00 179.01 177.96 1hk0 s LEU 136 N -9.93 2.47 0.80 1.64 1.43 -0.79 -2.10 118.68 112.19 1hk0 s LEU 136 Ca -0.11 -0.90 -0.14 0.00 -1.03 0.00 0.00 54.13 51.96 1hk0 s LEU 136 Cb 0.22 -1.08 0.08 0.00 0.03 0.00 0.00 46.19 45.43 1hk0 s LEU 136 CO 0.79 0.07 1.22 -0.94 0.23 0.00 0.00 176.35 177.72 1hk0 s SER 137 N -2.83 3.61 -1.47 2.29 1.04 -1.25 -3.33 113.70 111.75 1hk0 s SER 137 Ca 0.22 2.40 -0.04 0.00 0.48 0.00 0.00 55.95 59.01 1hk0 s SER 137 Cb -0.07 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1hk0 s SER 137 CO 0.10 -2.66 0.47 0.59 0.98 0.00 0.00 173.24 172.73 1hk0 n ASN 138 N -3.23 -5.76 -2.87 7.02 3.02 0.77 -3.58 115.26 110.64 1hk0 n ASN 138 Ca 0.14 -0.23 -0.13 0.00 -0.03 0.00 0.00 54.58 54.33 1hk0 n ASN 138 Cb 0.50 -4.61 0.07 0.00 -0.61 0.00 0.00 39.78 35.13 1hk0 n ASN 138 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1hk0 n TYR 139 N -4.36 -1.70 -4.44 3.10 4.01 -1.23 -5.02 117.16 107.53 1hk0 n TYR 139 Ca -0.13 0.72 -0.21 0.00 -0.16 0.00 0.00 57.90 58.12 1hk0 n TYR 139 Cb 0.62 -4.34 -0.11 0.00 -0.31 0.00 0.00 39.34 35.20 1hk0 n TYR 139 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1hk0 s ARG 140 N -4.99 1.62 1.65 -0.72 0.52 -1.21 -5.05 118.95 110.77 1hk0 s ARG 140 Ca 0.02 -1.89 0.00 0.00 -0.52 0.00 0.00 55.73 53.34 1hk0 s ARG 140 Cb -0.00 -0.89 0.00 0.00 0.52 0.00 0.00 34.95 34.58 1hk0 s ARG 140 CO 0.56 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 176.14 1hk0 n GLY 141 N -0.66 -1.64 3.77 -3.53 0.00 -1.26 -1.89 105.19 99.98 1hk0 n GLY 141 Ca -0.03 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 1hk0 n GLY 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hk0 s ARG 142 N 0.00 4.20 -0.06 1.61 0.52 -1.26 -4.69 118.95 119.26 1hk0 s ARG 142 Ca 0.00 2.44 -0.00 0.00 -0.52 0.00 0.00 55.73 57.65 1hk0 s ARG 142 Cb 0.00 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 1hk0 s ARG 142 CO 0.00 -0.41 -0.03 -0.65 0.02 0.00 0.00 175.30 174.23 1hk0 s GLN 143 N -1.90 2.85 -0.11 3.54 -0.21 -1.26 -1.20 119.66 121.36 1hk0 s GLN 143 Ca 0.52 -0.50 -0.01 0.00 0.02 0.00 0.00 55.36 55.38 1hk0 s GLN 143 Cb -0.44 -2.69 0.03 0.00 1.00 0.00 0.00 33.01 30.92 1hk0 s GLN 143 CO 0.59 0.67 -0.01 0.71 -2.12 0.00 0.00 175.29 175.13 1hk0 s TYR 144 N -0.89 1.02 0.16 0.91 2.02 0.06 -4.30 117.35 116.33 1hk0 s TYR 144 Ca 0.14 -0.51 -0.30 0.00 -0.37 0.00 0.00 57.07 56.02 1hk0 s TYR 144 Cb -0.11 -0.99 -0.08 0.00 -0.40 0.00 0.00 41.96 40.38 1hk0 s TYR 144 CO 0.03 -0.45 1.27 -1.17 -1.57 0.00 0.00 175.55 173.66 1hk0 s LEU 145 N 1.86 4.41 -0.16 -1.29 2.96 -1.26 -1.13 118.68 124.07 1hk0 s LEU 145 Ca 0.03 2.27 0.02 0.00 -0.22 0.00 0.00 54.13 56.23 1hk0 s LEU 145 Cb -0.13 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.97 1hk0 s LEU 145 CO -0.07 -0.49 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.50 1hk0 s LEU 146 N 0.27 2.11 0.27 -0.68 1.43 0.36 -4.95 118.68 117.49 1hk0 s LEU 146 Ca 0.57 -0.62 0.10 0.00 -1.03 0.00 0.00 54.13 53.15 1hk0 s LEU 146 Cb -0.34 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1hk0 s LEU 146 CO 0.35 0.04 -0.03 -0.04 0.23 0.00 0.00 176.35 176.90 1hk0 s MET 147 N 1.04 2.22 0.12 1.70 -1.94 -1.26 -1.09 119.30 120.09 1hk0 s MET 147 Ca -0.01 -1.47 -0.36 0.00 -1.71 0.00 0.00 55.69 52.14 1hk0 s MET 147 Cb -0.14 -2.11 -0.16 0.00 2.01 0.00 0.00 34.83 34.43 1hk0 s MET 147 CO -0.07 0.36 1.41 -2.30 -0.01 0.00 0.00 175.02 174.40 1hk0 n PRO 148 N -0.87 1.47 0.00 2.03 -0.02 -1.25 -4.76 135.00 131.60 1hk0 n PRO 148 Ca -0.06 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1hk0 n PRO 148 Cb 0.59 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1hk0 n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hk0 n GLY 149 N 2.76 0.54 3.86 -1.23 0.00 -0.90 -5.00 105.19 105.22 1hk0 n GLY 149 Ca 0.18 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 1hk0 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hk0 s ASP 150 N 0.00 6.69 -0.38 1.61 1.01 -1.26 -1.54 116.67 122.80 1hk0 s ASP 150 Ca 0.00 0.84 0.01 0.00 0.71 0.00 0.00 52.55 54.10 1hk0 s ASP 150 Cb 0.00 -2.20 0.13 0.00 1.01 0.00 0.00 42.92 41.86 1hk0 s ASP 150 CO 0.00 0.26 0.19 -0.31 0.21 0.00 0.00 175.17 175.52 1hk0 s TYR 151 N -1.23 1.63 0.10 4.23 1.51 -0.35 -5.00 117.35 118.23 1hk0 s TYR 151 Ca 0.27 -2.04 0.27 0.00 -1.01 0.00 0.00 57.07 54.56 1hk0 s TYR 151 Cb -0.15 -1.63 1.02 0.00 -0.11 0.00 0.00 41.96 41.09 1hk0 s TYR 151 CO 0.15 -0.82 1.86 0.00 -1.11 0.00 0.00 175.55 175.63 1hk0 h ARG 152 N 7.21 0.00 -3.28 -0.62 3.08 -1.90 -0.28 114.38 118.59 1hk0 h ARG 152 Ca -0.04 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1hk0 h ARG 152 Cb 0.96 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.94 1hk0 h ARG 152 CO 0.44 0.15 0.08 -0.98 -1.07 0.00 0.00 179.97 178.58 1hk0 s ARG 153 N -3.63 1.69 0.46 0.04 1.70 -1.25 -1.34 118.95 116.62 1hk0 s ARG 153 Ca 0.01 -1.11 0.17 0.00 -0.47 0.00 0.00 55.73 54.33 1hk0 s ARG 153 Cb 0.10 0.55 1.10 0.00 -0.57 0.00 0.00 34.95 36.13 1hk0 s ARG 153 CO 0.61 -0.75 2.01 0.10 -1.08 0.00 0.00 175.30 176.20 1hk0 h TYR 154 N 2.11 0.00 0.00 5.89 -0.00 -1.85 -0.39 116.97 122.73 1hk0 h TYR 154 Ca -0.22 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.50 1hk0 h TYR 154 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.98 1hk0 h TYR 154 CO 0.42 0.17 -0.04 1.96 -0.00 0.00 0.00 178.16 180.67 1hk0 h GLN 155 N 0.00 0.00 0.00 0.10 7.50 -1.92 -2.04 115.11 118.75 1hk0 h GLN 155 Ca -0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1hk0 h GLN 155 Cb 0.31 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.84 1hk0 h GLN 155 CO 0.02 0.04 -0.04 -0.44 -1.50 0.00 0.00 178.83 176.91 1hk0 h ASP 156 N 0.00 0.00 -0.67 1.46 3.32 -1.39 -1.43 116.42 117.71 1hk0 h ASP 156 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1hk0 h ASP 156 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1hk0 h ASP 156 CO 0.01 0.04 0.00 -2.67 -1.72 0.00 0.00 179.24 174.90 1hk0 n TRP 157 N -3.19 1.15 -0.63 4.55 2.14 -0.78 -4.96 117.44 115.73 1hk0 n TRP 157 Ca -0.00 -0.55 0.00 0.00 2.07 0.00 0.00 57.50 59.01 1hk0 n TRP 157 Cb 0.27 -0.11 0.00 0.00 -0.81 0.00 0.00 31.31 30.67 1hk0 n TRP 157 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1hk0 n GLY 158 N 1.33 0.74 3.89 -1.67 0.00 -0.54 -4.72 105.19 104.22 1hk0 n GLY 158 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 1hk0 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hk0 s ALA 159 N -2.57 3.31 -2.04 4.61 0.00 -1.16 -5.00 121.76 118.91 1hk0 s ALA 159 Ca 0.00 -0.33 0.21 0.00 0.00 0.00 0.00 51.96 51.84 1hk0 s ALA 159 Cb 0.00 -2.75 0.02 0.00 0.00 0.00 0.00 23.12 20.39 1hk0 s ALA 159 CO 0.00 -0.38 1.06 0.25 0.00 0.00 0.00 175.76 176.69 1hk0 n THR 160 N -2.21 0.00 -3.99 0.00 -2.24 -1.26 -4.13 114.28 100.45 1hk0 n THR 160 Ca 0.02 -0.31 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 1hk0 n THR 160 Cb 0.55 1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 70.02 1hk0 n THR 160 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1hk0 s ASN 161 N -2.26 0.30 -0.02 3.42 2.20 -1.26 -5.05 114.94 112.27 1hk0 s ASN 161 Ca 0.19 -1.17 0.19 0.00 -0.94 0.00 0.00 52.86 51.12 1hk0 s ASN 161 Cb 0.17 0.67 0.58 0.00 -2.00 0.00 0.00 41.25 40.67 1hk0 s ASN 161 CO 0.49 -1.32 1.48 0.00 -2.94 0.00 0.00 177.10 174.82 1hk0 n ALA 162 N -0.48 2.54 -1.96 3.54 0.00 -1.26 -4.92 120.51 117.96 1hk0 n ALA 162 Ca -0.02 -1.17 -0.42 0.00 0.00 0.00 0.00 53.44 51.82 1hk0 n ALA 162 Cb 0.61 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1hk0 n ALA 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1hk0 s ARG 163 N -1.29 4.21 -0.02 0.00 6.06 -1.26 -1.42 118.95 125.22 1hk0 s ARG 163 Ca 0.43 2.30 0.01 0.00 -2.50 0.00 0.00 55.73 55.97 1hk0 s ARG 163 Cb 0.24 -3.49 0.02 0.00 0.06 0.00 0.00 34.95 31.77 1hk0 s ARG 163 CO 0.27 -0.68 -0.02 0.08 -2.50 0.00 0.00 175.30 172.45 1hk0 s VAL 164 N 2.26 0.29 -0.00 7.11 1.01 -1.02 -4.49 120.40 125.55 1hk0 s VAL 164 Ca 0.72 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.67 1hk0 s VAL 164 Cb -0.40 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1hk0 s VAL 164 CO 0.32 0.14 0.01 0.61 0.00 0.00 0.00 175.10 176.17 1hk0 n GLY 165 N 3.72 -0.03 3.56 4.51 0.00 -0.12 -4.65 105.19 112.18 1hk0 n GLY 165 Ca -0.22 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 1hk0 n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hk0 s SER 166 N -2.78 -0.46 -0.08 1.61 1.04 -1.11 -0.85 113.70 111.06 1hk0 s SER 166 Ca -0.00 -0.19 -0.17 0.00 0.48 0.00 0.00 55.95 56.06 1hk0 s SER 166 Cb 0.00 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.79 1hk0 s SER 166 CO 0.03 -1.07 0.42 -1.48 0.98 0.00 0.00 173.24 172.12 1hk0 s LEU 167 N -2.79 0.41 -0.02 2.42 2.34 -0.53 -0.97 118.68 119.53 1hk0 s LEU 167 Ca 0.04 0.51 0.02 0.00 0.06 0.00 0.00 54.13 54.77 1hk0 s LEU 167 Cb -0.03 1.56 0.00 0.00 -0.56 0.00 0.00 46.19 47.16 1hk0 s LEU 167 CO -0.06 -0.35 -0.08 -0.60 -1.06 0.00 0.00 176.35 174.20 1hk0 s ARG 168 N -0.66 0.84 0.35 1.48 3.52 -0.38 -0.82 118.95 123.28 1hk0 s ARG 168 Ca -0.08 -0.27 -0.27 0.00 -0.13 0.00 0.00 55.73 54.98 1hk0 s ARG 168 Cb -0.04 -0.80 -0.09 0.00 -1.56 0.00 0.00 34.95 32.46 1hk0 s ARG 168 CO 0.04 0.10 1.22 1.03 -0.81 0.00 0.00 175.30 176.87 1hk0 s ARG 169 N 0.19 4.26 -0.61 5.12 0.52 -1.26 -0.41 118.95 126.74 1hk0 s ARG 169 Ca -0.03 2.00 -0.26 0.00 -0.52 0.00 0.00 55.73 56.91 1hk0 s ARG 169 Cb -0.08 -2.91 0.04 0.00 0.52 0.00 0.00 34.95 32.51 1hk0 s ARG 169 CO 0.00 -0.19 1.12 0.08 0.02 0.00 0.00 175.30 176.33 1hk0 s VAL 170 N -1.26 4.08 -0.03 3.52 1.01 0.10 -4.81 120.40 123.02 1hk0 s VAL 170 Ca 0.52 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 63.01 1hk0 s VAL 170 Cb -0.35 -4.72 0.02 0.00 0.00 0.00 0.00 36.38 31.34 1hk0 s VAL 170 CO 0.45 -1.40 0.06 -0.63 0.00 0.00 0.00 175.10 173.58 1hk0 s ILE 171 N 4.78 -0.04 -0.28 2.22 1.01 -1.26 -4.70 121.20 122.93 1hk0 s ILE 171 Ca 0.36 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.94 1hk0 s ILE 171 Cb -0.10 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.25 1hk0 s ILE 171 CO 0.20 0.06 0.66 -0.62 0.00 0.00 0.00 174.94 175.24 1hk0 s ASP 172 N 0.77 6.57 0.52 3.58 3.68 -1.26 -4.96 116.67 125.57 1hk0 s ASP 172 Ca -0.06 0.62 0.27 0.00 2.13 0.00 0.00 52.55 55.51 1hk0 s ASP 172 Cb -0.09 -2.35 1.42 0.00 -1.45 0.00 0.00 42.92 40.46 1hk0 s ASP 172 CO -0.03 -0.45 2.07 -0.26 0.13 0.00 0.00 175.17 176.63 1hk0 h PHE 173 N 8.01 0.00 -0.03 -5.34 -1.00 -1.98 -3.50 116.94 113.10 1hk0 h PHE 173 Ca -0.26 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.52 1hk0 h PHE 173 Cb 1.12 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.68 1hk0 h PHE 173 CO 0.76 0.12 0.00 0.43 -1.61 0.00 0.00 178.31 178.01