#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hky n TYR 2 N 0.00 -1.71 -1.26 1.24 4.02 -1.26 -4.87 117.16 113.32 1hky n TYR 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1hky n TYR 2 Cb 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 1hky n TYR 2 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1hky n LYS 3 N -1.46 0.62 0.25 -0.72 5.02 -1.26 -4.95 118.16 115.66 1hky n LYS 3 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1hky n LYS 3 Cb 0.00 0.00 0.62 0.00 -0.02 0.00 0.00 35.03 35.63 1hky n LYS 3 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1hky h ASP 4 N 0.00 0.00 -2.31 4.39 3.58 -2.01 -3.43 116.42 116.64 1hky h ASP 4 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1hky h ASP 4 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1hky h ASP 4 CO 0.00 0.10 0.00 -0.67 -2.88 0.00 0.00 179.24 175.79 1hky n ASP 5 N -4.26 0.21 0.00 2.28 2.03 -1.26 -5.08 116.55 110.46 1hky n ASP 5 Ca -0.03 -0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.08 1hky n ASP 5 Cb 0.18 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1hky n ASP 5 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1hky n ASP 6 N -0.57 1.19 -4.81 1.67 2.03 -1.26 -4.95 116.55 109.85 1hky n ASP 6 Ca 0.00 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 1hky n ASP 6 Cb 0.00 0.10 0.09 0.00 -0.72 0.00 0.00 41.12 40.59 1hky n ASP 6 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1hky s ASP 7 N -1.87 4.63 0.90 1.67 1.01 -1.26 -5.06 116.67 116.69 1hky s ASP 7 Ca 0.00 -0.55 -0.11 0.00 0.71 0.00 0.00 52.55 52.59 1hky s ASP 7 Cb 0.00 0.11 0.13 0.00 1.01 0.00 0.00 42.92 44.17 1hky s ASP 7 CO 0.00 -1.67 1.09 -0.54 0.21 0.00 0.00 175.17 174.26 1hky s LYS 8 N -4.96 1.20 0.51 8.23 1.02 -1.26 -5.05 119.74 119.43 1hky s LYS 8 Ca 0.65 0.87 -0.02 0.00 0.02 0.00 0.00 55.97 57.49 1hky s LYS 8 Cb -0.05 -1.80 0.01 0.00 -0.52 0.00 0.00 37.83 35.46 1hky s LYS 8 CO 0.42 -2.29 0.76 0.14 -0.92 0.00 0.00 175.35 173.46 1hky s VAL 9 N -2.90 3.69 -0.25 3.17 -7.23 -1.26 -5.08 120.40 110.54 1hky s VAL 9 Ca 0.64 -0.36 -0.11 0.00 -1.81 0.00 0.00 61.98 60.34 1hky s VAL 9 Cb -0.18 -3.40 -0.05 0.00 0.56 0.00 0.00 36.38 33.31 1hky s VAL 9 CO 0.57 -0.32 0.17 -0.54 -0.31 0.00 0.00 175.10 174.67 1hky s LYS 10 N -4.73 4.03 0.00 4.82 -0.14 -1.26 -4.91 119.74 117.54 1hky s LYS 10 Ca 0.51 -0.28 0.00 0.00 -1.36 0.00 0.00 55.97 54.84 1hky s LYS 10 Cb -0.10 -3.59 0.00 0.00 -1.68 0.00 0.00 37.83 32.46 1hky s LYS 10 CO 0.40 -0.03 0.39 1.47 -0.76 0.00 0.00 175.35 176.82 1hky n LEU 11 N 4.59 0.73 -3.79 3.17 -0.00 -1.26 -5.01 117.00 115.42 1hky n LEU 11 Ca -0.15 -0.73 -0.23 0.00 -0.00 0.00 0.00 56.01 54.91 1hky n LEU 11 Cb 0.52 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.77 1hky n LEU 11 CO 0.34 0.18 -0.39 0.42 -0.00 0.00 0.00 177.39 177.95 1hky s THR 12 N -0.08 0.43 0.08 1.47 -4.23 -1.26 -5.06 115.64 106.99 1hky s THR 12 Ca 0.00 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.59 1hky s THR 12 Cb 0.00 -0.56 -0.04 0.00 1.34 0.00 0.00 72.50 73.24 1hky s THR 12 CO 0.00 0.26 -0.06 0.00 -0.54 0.00 0.00 174.62 174.28 1hky s TYR 14 N -3.39 2.13 -0.24 0.00 1.13 -1.26 -3.77 117.35 111.96 1hky s TYR 14 Ca 0.08 -0.89 -0.26 0.00 -1.41 0.00 0.00 57.07 54.59 1hky s TYR 14 Cb 0.04 -1.51 0.08 0.00 -1.10 0.00 0.00 41.96 39.47 1hky s TYR 14 CO -0.05 0.18 0.77 -1.14 -2.51 0.00 0.00 175.55 172.79 1hky s GLN 15 N -3.80 0.81 -1.47 -3.49 2.00 -0.84 -4.61 119.66 108.25 1hky s GLN 15 Ca 0.29 0.81 -0.08 0.00 -2.00 0.00 0.00 55.36 54.39 1hky s GLN 15 Cb 0.07 0.39 0.02 0.00 0.80 0.00 0.00 33.01 34.29 1hky s GLN 15 CO 0.14 -0.13 2.66 0.09 -0.50 0.00 0.00 175.29 177.56 1hky n ASN 16 N 2.32 8.39 -0.12 6.67 4.13 -1.26 -2.03 115.26 133.36 1hky n ASN 16 Ca -0.14 -2.87 0.06 0.00 1.68 0.00 0.00 54.58 53.30 1hky n ASN 16 Cb 0.55 -1.46 0.30 0.00 -1.54 0.00 0.00 39.78 37.64 1hky n ASN 16 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1hky n GLY 17 N 2.61 -0.72 2.39 7.41 0.00 -1.26 -4.93 105.19 110.70 1hky n GLY 17 Ca 0.70 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.69 1hky n GLY 17 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1hky n VAL 18 N -0.45 0.00 -1.82 1.61 0.24 -1.26 -4.63 118.33 112.02 1hky n VAL 18 Ca 0.09 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.97 1hky n VAL 18 Cb 0.09 -0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 32.21 1hky n VAL 18 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1hky s SER 19 N -4.59 6.43 0.21 -1.34 0.15 -0.52 -4.55 113.70 109.48 1hky s SER 19 Ca 0.00 2.87 0.05 0.00 0.70 0.00 0.00 55.95 59.56 1hky s SER 19 Cb 0.00 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 1hky s SER 19 CO 0.00 -0.89 0.27 -0.36 1.20 0.00 0.00 173.24 173.47 1hky s PHE 20 N 0.33 3.35 0.20 3.44 0.08 -1.26 -2.50 117.98 121.61 1hky s PHE 20 Ca 0.66 -0.00 -0.23 0.00 0.12 0.00 0.00 56.93 57.47 1hky s PHE 20 Cb -0.47 -1.55 0.05 0.00 -0.57 0.00 0.00 43.02 40.48 1hky s PHE 20 CO 0.43 0.49 0.89 -0.08 -0.10 0.00 0.00 175.22 176.84 1hky s THR 21 N -1.91 0.00 0.00 0.64 -1.32 0.64 -4.94 115.64 108.74 1hky s THR 21 Ca 0.33 -0.78 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 1hky s THR 21 Cb -0.09 -2.08 0.00 0.00 -1.51 0.00 0.00 72.50 68.82 1hky s THR 21 CO 0.27 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.29 1hky n GLY 22 N -0.48 1.58 3.62 6.08 0.00 -1.26 -0.58 105.19 114.15 1hky n GLY 22 Ca -0.05 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1hky n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hky s GLY 23 N -0.23 1.60 -0.73 -0.02 0.00 -1.19 -4.72 107.32 102.03 1hky s GLY 23 Ca 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 44.72 43.67 1hky s GLY 23 CO 0.00 -0.10 0.59 0.54 0.00 0.00 0.00 173.10 174.13 1hky s LYS 24 N -5.46 2.99 0.02 2.90 -0.14 -1.26 -4.86 119.74 113.93 1hky s LYS 24 Ca 0.71 -2.64 -0.30 0.00 -1.36 0.00 0.00 55.97 52.38 1hky s LYS 24 Cb -0.09 -3.97 -0.08 0.00 -1.68 0.00 0.00 37.83 32.01 1hky s LYS 24 CO 0.56 -1.22 1.85 0.00 -0.76 0.00 0.00 175.35 175.77 1hky s ALA 25 N -0.22 3.61 0.39 5.17 0.00 -1.26 -4.85 121.76 124.61 1hky s ALA 25 Ca 0.19 1.22 0.39 0.00 0.00 0.00 0.00 51.96 53.75 1hky s ALA 25 Cb -0.16 -3.80 1.89 0.00 0.00 0.00 0.00 23.12 21.05 1hky s ALA 25 CO -0.06 -1.46 2.18 -0.84 0.00 0.00 0.00 175.76 175.57 1hky h ILE 26 N 5.49 0.04 -2.06 0.00 -0.00 -1.81 -3.45 117.51 115.72 1hky h ILE 26 Ca -0.46 -0.27 0.13 0.00 -0.00 0.00 0.00 64.86 64.26 1hky h ILE 26 Cb 1.22 1.26 -0.17 0.00 -0.00 0.00 0.00 36.82 39.13 1hky h ILE 26 CO 0.94 0.01 0.55 -0.55 -0.00 0.00 0.00 178.15 179.10 1hky s SER 27 N -5.47 -0.33 -0.19 2.16 0.15 -1.20 -5.04 113.70 103.79 1hky s SER 27 Ca -0.02 0.05 -0.27 0.00 0.70 0.00 0.00 55.95 56.41 1hky s SER 27 Cb 0.11 0.33 0.07 0.00 -1.71 0.00 0.00 66.02 64.83 1hky s SER 27 CO 0.48 -0.52 0.70 -1.83 1.20 0.00 0.00 173.24 173.27 1hky s GLU 28 N -2.77 0.91 -0.20 5.44 4.04 -1.26 0.02 118.70 124.88 1hky s GLU 28 Ca 0.05 0.74 -0.02 0.00 0.04 0.00 0.00 54.97 55.78 1hky s GLU 28 Cb -0.01 0.44 0.06 0.00 0.02 0.00 0.00 34.13 34.64 1hky s GLU 28 CO -0.07 -0.18 0.00 0.00 -1.84 0.00 0.00 175.26 173.17 1hky s ALA 29 N -0.17 1.31 -0.62 -0.84 0.00 0.41 -4.95 121.76 116.90 1hky s ALA 29 Ca -0.04 -0.89 -0.26 0.00 0.00 0.00 0.00 51.96 50.77 1hky s ALA 29 Cb -0.03 -1.25 -0.10 0.00 0.00 0.00 0.00 23.12 21.74 1hky s ALA 29 CO 0.04 -1.16 2.40 0.15 0.00 0.00 0.00 175.76 177.20 1hky s LYS 30 N 1.71 1.89 -0.02 0.00 1.02 -1.26 -1.00 119.74 122.08 1hky s LYS 30 Ca -0.02 1.02 0.05 0.00 0.02 0.00 0.00 55.97 57.04 1hky s LYS 30 Cb -0.17 -4.67 -0.01 0.00 -0.52 0.00 0.00 37.83 32.46 1hky s LYS 30 CO -0.07 -3.76 -0.17 0.00 -0.92 0.00 0.00 175.35 170.42 1hky s ALA 31 N 13.27 1.44 -0.91 5.17 0.00 -1.23 -4.82 121.76 134.68 1hky s ALA 31 Ca 0.95 -0.72 0.25 0.00 0.00 0.00 0.00 51.96 52.44 1hky s ALA 31 Cb -0.15 -0.40 1.02 0.00 0.00 0.00 0.00 23.12 23.59 1hky s ALA 31 CO 0.18 0.33 1.79 0.00 0.00 0.00 0.00 175.76 178.07 1hky n ALA 32 N 2.79 2.14 -2.86 0.00 0.00 -1.26 -2.58 120.51 118.74 1hky n ALA 32 Ca -0.16 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 1hky n ALA 32 Cb 0.54 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.42 1hky n ALA 32 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1hky s SER 33 N -3.37 0.55 0.49 0.00 0.01 -1.26 -4.77 113.70 105.35 1hky s SER 33 Ca 0.11 -0.08 0.15 0.00 1.31 0.00 0.00 55.95 57.44 1hky s SER 33 Cb 0.15 -0.08 1.19 0.00 0.21 0.00 0.00 66.02 67.49 1hky s SER 33 CO 0.48 0.04 2.11 0.28 0.41 0.00 0.00 173.24 176.56 1hky h SER 34 N 6.15 0.11 -0.91 2.44 0.02 -1.91 -2.07 113.55 117.38 1hky h SER 34 Ca -0.29 -0.00 0.17 0.00 -0.84 0.00 0.00 61.79 60.83 1hky h SER 34 Cb 1.19 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 63.60 1hky h SER 34 CO 0.50 0.08 0.49 -0.61 -1.14 0.00 0.00 176.83 176.15 1hky h GLN 35 N 0.13 0.62 -0.34 3.45 -0.00 -1.98 0.25 115.11 117.25 1hky h GLN 35 Ca 0.07 -0.04 -0.11 0.00 -0.00 0.00 0.00 58.65 58.58 1hky h GLN 35 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 1hky h GLN 35 CO -0.01 0.41 -0.24 0.00 0.00 0.00 0.00 178.83 178.99 1hky h ALA 36 N 1.61 0.94 0.00 3.38 0.00 -1.79 -2.25 119.26 121.15 1hky h ALA 36 Ca 0.52 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1hky h ALA 36 Cb 0.80 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1hky h ALA 36 CO -0.39 0.61 -0.11 0.00 0.00 0.00 0.00 179.25 179.36 1hky h GLN 38 N 0.00 0.13 -0.36 0.00 1.08 -0.11 -0.90 115.11 114.95 1hky h GLN 38 Ca -0.00 -0.10 -0.11 0.00 -1.45 0.00 0.00 58.65 56.99 1hky h GLN 38 Cb 0.65 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 1hky h GLN 38 CO 0.01 0.75 -0.23 0.93 -0.95 0.00 0.00 178.83 179.34 1hky h GLU 39 N -0.47 0.72 0.30 1.46 4.39 -1.40 -1.48 114.58 118.10 1hky h GLU 39 Ca -0.01 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1hky h GLU 39 Cb 0.77 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1hky h GLU 39 CO 0.02 0.89 -0.14 1.25 -1.16 0.00 0.00 179.01 179.87 1hky h LEU 40 N 0.63 -0.34 -2.04 1.33 7.12 -1.38 -2.76 115.31 117.87 1hky h LEU 40 Ca 0.09 -0.15 0.02 0.00 0.13 0.00 0.00 57.88 57.96 1hky h LEU 40 Cb 0.73 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.95 1hky h LEU 40 CO 0.06 -0.03 0.05 0.00 -0.13 0.00 0.00 178.44 178.39 1hky h GLU 42 N 0.00 0.00 -0.01 0.00 5.08 -1.07 -2.12 114.58 116.46 1hky h GLU 42 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1hky h GLU 42 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1hky h GLU 42 CO -0.00 0.30 -0.08 1.63 -1.00 0.00 0.00 179.01 179.86 1hky n LYS 43 N -3.74 1.02 -4.00 2.33 4.76 -0.16 -4.85 118.16 113.51 1hky n LYS 43 Ca -0.01 -0.42 -0.29 0.00 -2.87 0.00 0.00 58.31 54.72 1hky n LYS 43 Cb 0.40 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.05 1hky n LYS 43 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1hky s ASP 44 N -2.27 5.89 -0.22 4.39 -1.08 -0.80 -5.03 116.67 117.55 1hky s ASP 44 Ca 0.34 0.07 0.03 0.00 -0.52 0.00 0.00 52.55 52.47 1hky s ASP 44 Cb 0.20 -1.68 -0.20 0.00 -1.46 0.00 0.00 42.92 39.79 1hky s ASP 44 CO 0.43 0.13 -0.04 0.00 0.52 0.00 0.00 175.17 176.21 1hky n ALA 45 N 0.05 1.35 1.90 3.66 0.00 -1.26 -4.20 120.51 122.01 1hky n ALA 45 Ca -0.07 -1.03 0.05 0.00 0.00 0.00 0.00 53.44 52.38 1hky n ALA 45 Cb 0.53 -0.25 0.27 0.00 0.00 0.00 0.00 19.45 19.99 1hky n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hky n LYS 46 N -3.22 1.08 -3.09 0.00 5.02 -1.26 -4.81 118.16 111.88 1hky n LYS 46 Ca -0.40 -0.12 -0.39 0.00 -2.02 0.00 0.00 58.31 55.37 1hky n LYS 46 Cb 1.03 -1.16 -0.05 0.00 -0.02 0.00 0.00 35.03 34.83 1hky n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hky n ARG 48 N 3.52 0.00 -3.92 0.00 3.00 -1.25 -4.97 116.66 113.04 1hky n ARG 48 Ca -0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.53 1hky n ARG 48 Cb 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.84 1hky n ARG 48 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1hky s PHE 49 N -2.00 3.25 0.93 -0.14 0.08 -0.64 -4.70 117.98 114.76 1hky s PHE 49 Ca 0.00 -3.20 -0.12 0.00 0.12 0.00 0.00 56.93 53.73 1hky s PHE 49 Cb 0.00 -2.74 0.15 0.00 -0.57 0.00 0.00 43.02 39.86 1hky s PHE 49 CO 0.00 -0.68 1.10 -0.59 -0.10 0.00 0.00 175.22 174.95 1hky s PHE 50 N -0.65 2.34 -0.33 0.36 -0.71 -1.23 -1.53 117.98 116.23 1hky s PHE 50 Ca 0.20 1.06 0.06 0.00 -1.04 0.00 0.00 56.93 57.21 1hky s PHE 50 Cb -0.19 -3.24 0.19 0.00 -1.21 0.00 0.00 43.02 38.58 1hky s PHE 50 CO -0.06 -2.50 0.59 0.99 -1.34 0.00 0.00 175.22 172.90 1hky s THR 51 N -3.04 -0.97 0.50 -4.49 2.01 0.26 -2.37 115.64 107.54 1hky s THR 51 Ca 0.64 -0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.56 1hky s THR 51 Cb -0.17 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 1hky s THR 51 CO 0.56 -0.02 0.80 -0.22 -0.69 0.00 0.00 174.62 175.05 1hky s LEU 52 N 2.51 3.54 0.00 4.42 2.96 0.38 -0.49 118.68 132.00 1hky s LEU 52 Ca 0.12 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 54.86 1hky s LEU 52 Cb -0.08 -3.75 0.00 0.00 0.50 0.00 0.00 46.19 42.85 1hky s LEU 52 CO -0.20 -0.70 0.00 0.00 -1.32 0.00 0.00 176.35 174.13 1hky n ALA 53 N -2.32 0.00 0.30 5.97 0.00 0.85 -1.31 120.51 124.01 1hky n ALA 53 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.62 1hky n ALA 53 Cb 0.56 0.00 0.90 0.00 0.00 0.00 0.00 19.45 20.91 1hky n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hky h SER 54 N 0.00 0.00 0.00 0.00 0.87 -1.61 -3.34 113.55 109.47 1hky h SER 54 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1hky h SER 54 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1hky h SER 54 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1hky n GLY 55 N -1.18 0.00 3.54 5.77 0.00 -1.25 -4.74 105.19 107.32 1hky n GLY 55 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 1hky n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hky s LYS 56 N 0.00 0.44 0.07 1.61 2.20 -1.07 -3.48 119.74 119.51 1hky s LYS 56 Ca 0.00 1.06 0.01 0.00 -0.36 0.00 0.00 55.97 56.68 1hky s LYS 56 Cb 0.00 0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 36.87 1hky s LYS 56 CO 0.00 -0.14 0.17 0.00 -0.36 0.00 0.00 175.35 175.01 1hky s SER 58 N -2.49 0.40 -0.12 0.00 0.01 0.36 -0.45 113.70 111.41 1hky s SER 58 Ca 0.33 0.44 -0.11 0.00 1.31 0.00 0.00 55.95 57.92 1hky s SER 58 Cb -0.13 0.42 -0.05 0.00 0.21 0.00 0.00 66.02 66.48 1hky s SER 58 CO 0.26 -0.22 0.23 -1.48 0.41 0.00 0.00 173.24 172.44 1hky s LEU 59 N 2.08 4.34 -0.13 2.44 2.34 0.10 0.93 118.68 130.78 1hky s LEU 59 Ca -0.00 0.54 0.01 0.00 0.06 0.00 0.00 54.13 54.73 1hky s LEU 59 Cb -0.12 -2.25 0.02 0.00 -0.56 0.00 0.00 46.19 43.28 1hky s LEU 59 CO -0.07 0.27 -0.14 -0.36 -1.06 0.00 0.00 176.35 175.00 1hky s PHE 60 N -0.42 2.05 0.36 3.48 0.40 -0.58 -2.18 117.98 121.09 1hky s PHE 60 Ca 0.16 -1.09 0.09 0.00 -0.60 0.00 0.00 56.93 55.49 1hky s PHE 60 Cb -0.13 -1.51 0.67 0.00 0.51 0.00 0.00 43.02 42.56 1hky s PHE 60 CO 0.05 -0.60 1.84 0.00 0.70 0.00 0.00 175.22 177.20 1hky h ALA 61 N 7.88 1.37 -2.75 5.36 0.00 -1.86 -1.70 119.26 127.56 1hky h ALA 61 Ca -0.35 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 1hky h ALA 61 Cb 1.15 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.71 1hky h ALA 61 CO 0.51 0.44 0.11 0.34 0.00 0.00 0.00 179.25 180.65 1hky s ASP 62 N -6.88 -0.48 0.00 0.00 2.15 -1.26 -4.77 116.67 105.43 1hky s ASP 62 Ca -0.05 0.04 -0.29 0.00 0.43 0.00 0.00 52.55 52.68 1hky s ASP 62 Cb 0.15 0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 43.28 1hky s ASP 62 CO 0.74 -0.86 0.93 -1.81 -0.17 0.00 0.00 175.17 174.01 1hky s ASP 63 N -2.45 7.32 0.00 -0.34 1.11 -1.26 -4.88 116.67 116.17 1hky s ASP 63 Ca -0.01 1.60 0.00 0.00 0.18 0.00 0.00 52.55 54.32 1hky s ASP 63 Cb -0.00 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.44 1hky s ASP 63 CO -0.08 -0.22 0.00 0.00 1.18 0.00 0.00 175.17 176.05 1hky n ALA 64 N 3.76 2.53 -1.50 5.23 0.00 -1.26 -4.98 120.51 124.29 1hky n ALA 64 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1hky n ALA 64 Cb 0.51 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1hky n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hky n ALA 65 N -2.26 0.84 -1.99 0.00 0.00 -1.26 -5.04 120.51 110.80 1hky n ALA 65 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1hky n ALA 65 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 1hky n ALA 65 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1hky s LEU 66 N 0.00 3.16 0.31 0.00 2.34 -1.26 -3.14 118.68 120.09 1hky s LEU 66 Ca 0.00 -0.42 0.06 0.00 0.06 0.00 0.00 54.13 53.83 1hky s LEU 66 Cb 0.00 -2.55 -0.02 0.00 -0.56 0.00 0.00 46.19 43.06 1hky s LEU 66 CO 0.00 -2.80 0.42 -0.13 -1.06 0.00 0.00 176.35 172.78 1hky s ARG 67 N 7.22 3.17 1.14 1.48 0.52 0.25 -4.71 118.95 128.02 1hky s ARG 67 Ca 0.72 -0.97 -0.19 0.00 -0.52 0.00 0.00 55.73 54.77 1hky s ARG 67 Cb -0.08 -2.81 0.29 0.00 0.52 0.00 0.00 34.95 32.87 1hky s ARG 67 CO 0.04 0.17 0.95 -0.35 0.02 0.00 0.00 175.30 176.14 1hky n PRO 68 N -1.54 -3.20 0.00 3.54 -0.04 -1.26 -0.26 135.00 132.23 1hky n PRO 68 Ca -0.03 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 1hky n PRO 68 Cb 0.58 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1hky n PRO 68 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1hky n THR 69 N -4.78 0.00 -3.59 0.52 5.66 -1.04 -4.63 114.28 106.42 1hky n THR 69 Ca 0.13 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.03 1hky n THR 69 Cb 0.53 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.26 1hky n THR 69 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1hky s LYS 70 N -0.99 0.56 -0.31 1.09 2.47 -1.26 -5.04 119.74 116.27 1hky s LYS 70 Ca 0.00 0.19 0.10 0.00 -1.56 0.00 0.00 55.97 54.69 1hky s LYS 70 Cb 0.00 0.27 0.58 0.00 -1.46 0.00 0.00 37.83 37.21 1hky s LYS 70 CO 0.00 -0.17 1.60 -1.13 0.16 0.00 0.00 175.35 175.81 1hky n SER 71 N 0.88 3.33 -4.56 1.43 3.41 -1.26 -1.44 113.62 115.41 1hky n SER 71 Ca -0.10 -3.52 -0.30 0.00 -0.26 0.00 0.00 58.87 54.69 1hky n SER 71 Cb 0.58 -0.67 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 1hky n SER 71 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1hky s ASP 72 N -1.97 5.39 -1.48 4.04 1.01 -1.26 -3.57 116.67 118.83 1hky s ASP 72 Ca 0.48 -1.04 -0.02 0.00 0.71 0.00 0.00 52.55 52.68 1hky s ASP 72 Cb 0.41 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.78 1hky s ASP 72 CO 0.06 -2.56 0.24 0.61 0.21 0.00 0.00 175.17 173.72 1hky n GLY 73 N 6.61 -0.38 3.80 0.21 0.00 -1.26 -3.88 105.19 110.29 1hky n GLY 73 Ca 0.40 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 1hky n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hky s ALA 74 N -3.00 3.60 -0.28 4.61 0.00 -1.23 -2.59 121.76 122.86 1hky s ALA 74 Ca 0.12 -1.55 -0.25 0.00 0.00 0.00 0.00 51.96 50.28 1hky s ALA 74 Cb -0.05 -1.15 0.13 0.00 0.00 0.00 0.00 23.12 22.05 1hky s ALA 74 CO 0.15 0.16 1.07 0.54 0.00 0.00 0.00 175.76 177.68 1hky s VAL 75 N -2.23 0.00 0.33 0.00 0.11 -0.42 -4.64 120.40 113.54 1hky s VAL 75 Ca 0.35 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.41 1hky s VAL 75 Cb -0.07 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.78 1hky s VAL 75 CO 0.25 0.00 0.04 -1.54 -3.33 0.00 0.00 175.10 170.51 1hky n SER 76 N 2.12 2.34 -3.68 3.54 3.41 -0.86 -0.47 113.62 120.02 1hky n SER 76 Ca -0.12 -2.53 -0.09 0.00 -0.26 0.00 0.00 58.87 55.86 1hky n SER 76 Cb 0.56 0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.82 1hky n SER 76 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1hky s GLY 77 N -2.87 -0.36 0.31 5.00 0.00 -1.00 -1.99 107.32 106.41 1hky s GLY 77 Ca 0.05 1.58 0.11 0.00 0.00 0.00 0.00 44.72 46.45 1hky s GLY 77 CO 0.04 2.03 -0.11 -1.31 0.00 0.00 0.00 173.10 173.74 1hky s ASN 78 N 1.91 3.83 0.00 1.64 -0.87 -1.25 -3.47 114.94 116.74 1hky s ASN 78 Ca -0.06 -1.03 0.30 0.00 -1.57 0.00 0.00 52.86 50.49 1hky s ASN 78 Cb -0.10 -0.41 1.37 0.00 -0.02 0.00 0.00 41.25 42.09 1hky s ASN 78 CO -0.13 -0.08 1.97 1.17 -2.57 0.00 0.00 177.10 177.46 1hky n LYS 79 N -0.75 0.33 -4.29 -0.60 0.00 -1.26 -4.20 118.16 107.38 1hky n LYS 79 Ca -0.05 -0.03 -0.25 0.00 0.00 0.00 0.00 58.31 57.98 1hky n LYS 79 Cb 0.61 -1.50 -0.17 0.00 0.00 0.00 0.00 35.03 33.98 1hky n LYS 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1hky s ARG 80 N -2.69 1.62 -0.42 1.64 3.52 -1.26 -4.90 118.95 116.45 1hky s ARG 80 Ca 0.24 -0.34 0.05 0.00 -0.13 0.00 0.00 55.73 55.54 1hky s ARG 80 Cb 0.20 -1.47 0.54 0.00 -1.56 0.00 0.00 34.95 32.66 1hky s ARG 80 CO 0.49 -0.10 1.69 0.00 -0.81 0.00 0.00 175.30 176.57 1hky h ILE 82 N 1.13 1.14 -2.57 0.00 -0.00 -1.98 -3.41 117.51 111.82 1hky h ILE 82 Ca 0.44 -0.89 -0.57 0.00 -0.00 0.00 0.00 64.86 63.84 1hky h ILE 82 Cb 1.86 1.49 -0.02 0.00 -0.00 0.00 0.00 36.82 40.14 1hky h ILE 82 CO 0.89 0.25 1.27 -0.22 -0.00 0.00 0.00 178.15 180.34 1hky s LEU 83 N -8.33 3.67 -0.07 0.16 2.96 -1.26 -4.98 118.68 110.83 1hky s LEU 83 Ca -0.03 1.59 0.04 0.00 -0.22 0.00 0.00 54.13 55.51 1hky s LEU 83 Cb 0.15 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 1hky s LEU 83 CO 0.70 -1.57 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.21 1hky s LEU 84 N 6.47 2.45 0.34 -0.68 1.02 -1.26 -5.10 118.68 121.92 1hky s LEU 84 Ca 0.82 -0.35 -0.15 0.00 0.02 0.00 0.00 54.13 54.47 1hky s LEU 84 Cb -0.26 -1.49 -0.09 0.00 0.02 0.00 0.00 46.19 44.37 1hky s LEU 84 CO 0.33 0.27 0.75 -0.70 0.02 0.00 0.00 176.35 177.03 1hky s GLU 85 N -0.31 3.98 0.00 1.70 -6.30 -1.26 -5.29 118.70 111.21 1hky s GLU 85 Ca 0.02 0.66 0.00 0.00 -2.50 0.00 0.00 54.97 53.15 1hky s GLU 85 Cb -0.13 -2.41 0.00 0.00 0.00 0.00 0.00 34.13 31.59 1hky s GLU 85 CO 0.02 0.11 0.00 -3.47 0.02 0.00 0.00 175.26 171.95