#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 -2.47 -4.51 2.11 0.18 -1.26 -4.99 117.16 106.21 1hky n TYR 2 Ca 0.00 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.79 1hky n TYR 2 Cb 0.00 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1hky n TYR 2 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1hky n LYS 3 N -0.71 -0.17 0.00 -3.48 5.02 -1.26 -4.71 118.16 112.85 1hky n LYS 3 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1hky n LYS 3 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.81 1hky n LYS 3 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1hky n ASP 4 N -3.13 0.00 0.00 4.39 -0.08 -1.26 -4.98 116.55 111.49 1hky n ASP 4 Ca 0.00 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1hky n ASP 4 Cb 0.04 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.49 1hky n ASP 4 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1hky n ASP 5 N -0.63 0.00 0.00 1.67 -0.08 -1.26 -5.08 116.55 111.17 1hky n ASP 5 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1hky n ASP 5 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1hky n ASP 5 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1hky n ASP 6 N -0.73 0.00 0.10 1.67 2.03 -1.26 -5.10 116.55 113.26 1hky n ASP 6 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1hky n ASP 6 Cb 0.00 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1hky n ASP 6 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1hky n ASP 7 N -1.17 -1.60 -3.31 1.67 8.00 -1.26 -5.10 116.55 113.79 1hky n ASP 7 Ca 0.00 0.38 -0.20 0.00 0.71 0.00 0.00 54.79 55.68 1hky n ASP 7 Cb 0.00 1.71 0.14 0.00 -0.02 0.00 0.00 41.12 42.95 1hky n ASP 7 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1hky n LYS 8 N -2.94 -0.88 -3.85 -1.24 4.01 -1.26 -5.05 118.16 106.96 1hky n LYS 8 Ca 0.00 -1.41 -0.09 0.00 -0.51 0.00 0.00 58.31 56.29 1hky n LYS 8 Cb 0.00 -0.93 -0.07 0.00 -0.51 0.00 0.00 35.03 33.52 1hky n LYS 8 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1hky s VAL 9 N -2.98 0.10 -0.15 -0.18 0.11 -1.26 -4.90 120.40 111.14 1hky s VAL 9 Ca 0.52 -1.12 -0.04 0.00 -2.93 0.00 0.00 61.98 58.40 1hky s VAL 9 Cb -0.01 -1.47 0.06 0.00 -1.53 0.00 0.00 36.38 33.43 1hky s VAL 9 CO 0.36 -0.47 0.12 -0.54 -3.33 0.00 0.00 175.10 171.24 1hky s LYS 10 N -3.88 0.06 -0.00 1.54 1.02 -1.26 -4.98 119.74 112.24 1hky s LYS 10 Ca 0.08 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.17 1hky s LYS 10 Cb 0.04 -1.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.96 1hky s LYS 10 CO -0.08 -0.59 0.99 1.28 -0.92 0.00 0.00 175.35 176.03 1hky n LEU 11 N 5.29 1.95 -4.73 3.17 4.77 -1.26 -5.01 117.00 121.17 1hky n LEU 11 Ca -0.06 -1.95 -0.36 0.00 -0.03 0.00 0.00 56.01 53.61 1hky n LEU 11 Cb 0.49 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1hky n LEU 11 CO 0.09 0.49 -0.05 0.42 -1.33 0.00 0.00 177.39 177.01 1hky s THR 12 N -0.97 5.32 0.59 -5.08 -4.23 -1.26 -4.55 115.64 105.45 1hky s THR 12 Ca 0.00 0.48 -0.15 0.00 -1.18 0.00 0.00 61.69 60.85 1hky s THR 12 Cb 0.00 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 1hky s THR 12 CO 0.00 0.41 1.03 0.00 -0.54 0.00 0.00 174.62 175.52 1hky s TYR 14 N -2.70 3.68 -0.21 0.00 5.04 -1.26 -4.24 117.35 117.66 1hky s TYR 14 Ca 0.60 0.90 -0.05 0.00 -2.44 0.00 0.00 57.07 56.08 1hky s TYR 14 Cb -0.13 -2.27 0.10 0.00 0.35 0.00 0.00 41.96 40.01 1hky s TYR 14 CO 0.40 0.59 0.38 -0.65 -1.34 0.00 0.00 175.55 174.93 1hky s GLN 15 N -0.83 0.30 -1.42 4.97 -1.52 -1.21 -4.97 119.66 114.99 1hky s GLN 15 Ca 0.22 0.80 -0.10 0.00 -1.95 0.00 0.00 55.36 54.33 1hky s GLN 15 Cb -0.16 -0.04 0.06 0.00 -0.22 0.00 0.00 33.01 32.65 1hky s GLN 15 CO 0.11 -0.41 2.32 -1.71 -0.25 0.00 0.00 175.29 175.36 1hky n ASN 16 N 5.37 6.05 -0.97 5.90 5.15 -1.26 -2.00 115.26 133.49 1hky n ASN 16 Ca -0.06 -2.91 0.05 0.00 -0.60 0.00 0.00 54.58 51.05 1hky n ASN 16 Cb 0.50 -1.53 0.19 0.00 -0.53 0.00 0.00 39.78 38.40 1hky n ASN 16 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1hky n GLY 17 N 3.19 1.58 7.00 8.20 0.00 -1.26 -4.91 105.19 118.98 1hky n GLY 17 Ca 0.56 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.44 0.00 -1.85 1.61 0.24 -1.26 -4.64 118.33 112.87 1hky n VAL 18 Ca 0.13 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.05 1hky n VAL 18 Cb 0.54 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.94 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 -4.00 5.51 -0.06 -1.34 0.15 -0.66 -4.30 113.70 109.01 1hky s SER 19 Ca 0.00 2.74 0.02 0.00 0.70 0.00 0.00 55.95 59.41 1hky s SER 19 Cb 0.00 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 1hky s SER 19 CO 0.00 -1.40 -0.11 -0.36 1.20 0.00 0.00 173.24 172.57 1hky s PHE 20 N -1.31 2.82 0.22 3.44 0.08 -1.26 -2.77 117.98 119.20 1hky s PHE 20 Ca 0.68 -0.07 -0.07 0.00 0.12 0.00 0.00 56.93 57.59 1hky s PHE 20 Cb -0.40 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.36 1hky s PHE 20 CO 0.48 0.26 0.30 0.95 -0.10 0.00 0.00 175.22 177.11 1hky s THR 21 N -0.76 0.01 0.00 0.64 -4.23 0.23 -4.89 115.64 106.63 1hky s THR 21 Ca 0.12 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1hky s THR 21 Cb -0.11 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1hky s THR 21 CO 0.01 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1hky n GLY 22 N -0.31 2.58 3.89 3.99 0.00 -1.26 -1.95 105.19 112.12 1hky n GLY 22 Ca -0.01 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.59 1.58 -0.83 -0.02 0.00 -1.24 -4.64 107.32 101.58 1hky s GLY 23 Ca 0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 44.72 44.22 1hky s GLY 23 CO 0.00 -0.11 0.88 0.54 0.00 0.00 0.00 173.10 174.41 1hky s LYS 24 N -4.97 3.54 0.09 2.90 -0.14 -1.26 -4.96 119.74 114.94 1hky s LYS 24 Ca 0.52 -2.10 -0.31 0.00 -1.36 0.00 0.00 55.97 52.72 1hky s LYS 24 Cb -0.11 -4.58 -0.09 0.00 -1.68 0.00 0.00 37.83 31.37 1hky s LYS 24 CO 0.49 -1.48 1.74 0.00 -0.76 0.00 0.00 175.35 175.35 1hky s ALA 25 N 1.29 3.72 0.28 5.17 0.00 -1.26 -4.80 121.76 126.16 1hky s ALA 25 Ca 0.22 1.32 0.37 0.00 0.00 0.00 0.00 51.96 53.88 1hky s ALA 25 Cb -0.10 -3.73 1.77 0.00 0.00 0.00 0.00 23.12 21.06 1hky s ALA 25 CO -0.07 -1.17 2.11 -0.84 0.00 0.00 0.00 175.76 175.79 1hky h ILE 26 N 4.77 0.00 -1.32 0.00 -0.00 -1.69 -3.44 117.51 115.82 1hky h ILE 26 Ca -0.44 -0.27 0.15 0.00 -0.00 0.00 0.00 64.86 64.30 1hky h ILE 26 Cb 1.21 1.24 -0.26 0.00 -0.00 0.00 0.00 36.82 39.01 1hky h ILE 26 CO 0.94 0.00 0.73 -0.55 -0.00 0.00 0.00 178.15 179.27 1hky s SER 27 N -5.33 -0.22 -0.00 2.16 0.15 -1.18 -5.04 113.70 104.23 1hky s SER 27 Ca -0.01 0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.90 1hky s SER 27 Cb 0.10 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1hky s SER 27 CO 0.47 -0.18 -0.02 -1.61 1.20 0.00 0.00 173.24 173.09 1hky s GLU 28 N -0.94 0.20 0.45 5.44 2.02 -1.26 -0.45 118.70 124.16 1hky s GLU 28 Ca 0.03 -0.06 0.07 0.00 0.02 0.00 0.00 54.97 55.03 1hky s GLU 28 Cb -0.01 -0.21 -0.01 0.00 0.10 0.00 0.00 34.13 33.99 1hky s GLU 28 CO -0.04 0.03 0.33 0.00 0.02 0.00 0.00 175.26 175.60 1hky s ALA 29 N 0.06 4.02 -0.64 5.21 0.00 -0.14 -4.91 121.76 125.37 1hky s ALA 29 Ca -0.00 -1.78 0.06 0.00 0.00 0.00 0.00 51.96 50.23 1hky s ALA 29 Cb -0.02 -0.75 0.24 0.00 0.00 0.00 0.00 23.12 22.59 1hky s ALA 29 CO -0.00 -0.27 0.70 1.63 0.00 0.00 0.00 175.76 177.82 1hky n LYS 30 N -1.52 2.34 -4.46 0.00 5.02 -1.26 -0.28 118.16 118.00 1hky n LYS 30 Ca 0.01 -4.58 -0.23 0.00 -2.02 0.00 0.00 58.31 51.49 1hky n LYS 30 Cb 0.63 -2.21 -0.10 0.00 -0.02 0.00 0.00 35.03 33.33 1hky n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hky s ALA 31 N -2.26 2.57 -0.18 7.82 0.00 -1.26 -4.92 121.76 123.54 1hky s ALA 31 Ca 0.37 -1.91 0.22 0.00 0.00 0.00 0.00 51.96 50.65 1hky s ALA 31 Cb 0.12 -0.05 -0.26 0.00 0.00 0.00 0.00 23.12 22.93 1hky s ALA 31 CO -0.04 0.10 0.63 0.00 0.00 0.00 0.00 175.76 176.44 1hky n ALA 32 N -0.62 2.97 -2.48 0.00 0.00 -1.26 -2.36 120.51 116.76 1hky n ALA 32 Ca -0.06 -0.48 -0.25 0.00 0.00 0.00 0.00 53.44 52.65 1hky n ALA 32 Cb 0.62 -0.82 -0.15 0.00 0.00 0.00 0.00 19.45 19.10 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 -4.47 2.18 0.54 0.00 0.01 -1.26 -4.80 113.70 105.90 1hky s SER 33 Ca -0.05 -0.36 0.22 0.00 1.31 0.00 0.00 55.95 57.08 1hky s SER 33 Cb 0.14 -0.23 1.42 0.00 0.21 0.00 0.00 66.02 67.55 1hky s SER 33 CO 0.88 0.21 2.10 0.28 0.41 0.00 0.00 173.24 177.12 1hky h SER 34 N 5.57 0.00 -0.76 2.44 0.02 -1.95 -2.10 113.55 116.78 1hky h SER 34 Ca -0.38 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 60.73 1hky h SER 34 Cb 1.15 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.58 1hky h SER 34 CO 0.48 0.00 0.22 -0.61 -1.14 0.00 0.00 176.83 175.78 1hky h GLN 35 N 0.00 0.30 -0.42 3.45 -0.00 -1.99 0.44 115.11 116.89 1hky h GLN 35 Ca 0.10 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.65 58.61 1hky h GLN 35 Cb 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.82 1hky h GLN 35 CO -0.00 0.20 -0.23 0.00 0.00 0.00 0.00 178.83 178.79 1hky h ALA 36 N 1.61 0.80 0.00 3.38 0.00 -1.81 -2.30 119.26 120.94 1hky h ALA 36 Ca 0.43 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1hky h ALA 36 Cb 0.74 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1hky h ALA 36 CO -0.50 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.34 1hky h GLN 38 N 0.00 -0.03 -0.21 0.00 1.08 0.27 -1.66 115.11 114.56 1hky h GLN 38 Ca -0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 1hky h GLN 38 Cb 0.40 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1hky h GLN 38 CO 0.01 0.67 -0.12 0.93 -0.95 0.00 0.00 178.83 179.38 1hky h GLU 39 N -0.79 0.34 0.38 1.46 4.39 -1.31 0.48 114.58 119.53 1hky h GLU 39 Ca -0.00 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1hky h GLU 39 Cb 0.71 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1hky h GLU 39 CO 0.00 0.47 -0.18 1.25 -1.16 0.00 0.00 179.01 179.39 1hky h LEU 40 N 0.32 -0.43 -2.05 1.33 7.12 -1.32 -2.99 115.31 117.30 1hky h LEU 40 Ca 0.06 -0.14 -0.02 0.00 0.13 0.00 0.00 57.88 57.92 1hky h LEU 40 Cb 0.41 0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1hky h LEU 40 CO 0.02 -0.03 -0.09 0.00 -0.13 0.00 0.00 178.44 178.22 1hky h GLU 42 N 0.00 0.05 0.00 0.00 5.08 -0.82 -0.86 114.58 118.03 1hky h GLU 42 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1hky h GLU 42 Cb 0.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1hky h GLU 42 CO 0.01 0.26 0.00 1.63 -1.00 0.00 0.00 179.01 179.91 1hky n LYS 43 N -4.27 0.17 -4.52 2.33 4.76 -0.54 -4.77 118.16 111.32 1hky n LYS 43 Ca -0.02 0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 55.09 1hky n LYS 43 Cb 0.28 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.83 4.86 -0.13 4.39 -1.08 -0.33 -5.00 116.67 116.54 1hky s ASP 44 Ca 0.19 0.03 0.18 0.00 -0.52 0.00 0.00 52.55 52.43 1hky s ASP 44 Cb 0.19 -1.27 0.75 0.00 -1.46 0.00 0.00 42.92 41.13 1hky s ASP 44 CO 0.50 0.36 1.66 0.00 0.52 0.00 0.00 175.17 178.21 1hky n ALA 45 N 2.13 3.23 -0.02 3.66 0.00 -1.26 -4.07 120.51 124.18 1hky n ALA 45 Ca -0.18 -1.66 0.01 0.00 0.00 0.00 0.00 53.44 51.61 1hky n ALA 45 Cb 0.53 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 18.97 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 1.07 2.57 -4.27 0.00 5.02 -1.26 -5.01 118.16 116.28 1hky n LYS 46 Ca 0.26 -1.51 -0.35 0.00 -2.02 0.00 0.00 58.31 54.69 1hky n LYS 46 Cb 0.95 -1.06 -0.09 0.00 -0.02 0.00 0.00 35.03 34.81 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 2.39 0.00 -3.74 0.00 1.74 -0.89 -4.97 116.66 111.19 1hky n ARG 48 Ca -0.18 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.61 1hky n ARG 48 Cb 0.54 -0.48 -0.12 0.00 -1.02 0.00 0.00 32.46 31.37 1hky n ARG 48 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1hky s PHE 49 N -1.00 2.51 0.85 -1.55 0.08 -0.30 -4.74 117.98 113.83 1hky s PHE 49 Ca 0.00 -2.82 -0.11 0.00 0.12 0.00 0.00 56.93 54.12 1hky s PHE 49 Cb 0.00 -2.08 0.10 0.00 -0.57 0.00 0.00 43.02 40.47 1hky s PHE 49 CO 0.00 -0.70 1.09 -0.59 -0.10 0.00 0.00 175.22 174.92 1hky s PHE 50 N -0.46 2.39 -0.29 0.36 -0.71 -1.20 -2.07 117.98 116.00 1hky s PHE 50 Ca 0.24 1.40 0.02 0.00 -1.04 0.00 0.00 56.93 57.55 1hky s PHE 50 Cb -0.11 -3.12 0.18 0.00 -1.21 0.00 0.00 43.02 38.77 1hky s PHE 50 CO -0.10 -2.17 0.54 0.99 -1.34 0.00 0.00 175.22 173.13 1hky s THR 51 N -2.91 -0.89 0.21 -4.49 2.01 0.30 -2.21 115.64 107.67 1hky s THR 51 Ca 0.63 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.53 1hky s THR 51 Cb -0.18 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 1hky s THR 51 CO 0.57 -0.07 0.43 -0.22 -0.69 0.00 0.00 174.62 174.64 1hky s LEU 52 N 2.75 4.19 0.00 4.42 2.96 -0.46 -0.40 118.68 132.15 1hky s LEU 52 Ca 0.13 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 1hky s LEU 52 Cb -0.12 -3.30 0.00 0.00 0.50 0.00 0.00 46.19 43.26 1hky s LEU 52 CO -0.24 -0.06 0.00 0.00 -1.32 0.00 0.00 176.35 174.72 1hky n ALA 53 N -0.56 0.00 0.16 5.97 0.00 -0.10 -0.90 120.51 125.07 1hky n ALA 53 Ca -0.03 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.59 1hky n ALA 53 Cb 0.53 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.70 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 -1.89 -3.34 113.55 109.19 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 -1.42 0.00 3.49 5.77 0.00 -1.26 -4.83 105.19 106.95 1hky n GLY 55 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 0.49 0.46 1.61 2.20 -1.00 -4.10 119.74 119.41 1hky s LYS 56 Ca 0.00 1.15 -0.11 0.00 -0.36 0.00 0.00 55.97 56.65 1hky s LYS 56 Cb 0.00 0.69 -0.06 0.00 -1.51 0.00 0.00 37.83 36.95 1hky s LYS 56 CO 0.00 -0.24 0.85 0.00 -0.36 0.00 0.00 175.35 175.61 1hky s SER 58 N -3.37 -0.00 -0.10 0.00 0.01 0.47 -0.97 113.70 109.74 1hky s SER 58 Ca 0.53 0.13 -0.15 0.00 1.31 0.00 0.00 55.95 57.77 1hky s SER 58 Cb -0.10 1.29 -0.05 0.00 0.21 0.00 0.00 66.02 67.37 1hky s SER 58 CO 0.36 -0.31 0.37 -1.48 0.41 0.00 0.00 173.24 172.59 1hky s LEU 59 N 2.60 4.33 0.01 2.44 2.34 0.40 0.11 118.68 130.91 1hky s LEU 59 Ca 0.13 0.73 0.08 0.00 0.06 0.00 0.00 54.13 55.14 1hky s LEU 59 Cb -0.14 -2.52 -0.02 0.00 -0.56 0.00 0.00 46.19 42.95 1hky s LEU 59 CO -0.21 0.15 -0.26 -0.36 -1.06 0.00 0.00 176.35 174.61 1hky s PHE 60 N -0.01 2.31 -0.19 3.48 0.40 -0.88 -1.80 117.98 121.28 1hky s PHE 60 Ca 0.21 -0.43 0.07 0.00 -0.60 0.00 0.00 56.93 56.18 1hky s PHE 60 Cb -0.15 -1.45 -0.22 0.00 0.51 0.00 0.00 43.02 41.72 1hky s PHE 60 CO 0.09 0.03 0.06 0.00 0.70 0.00 0.00 175.22 176.09 1hky n ALA 61 N 2.17 1.37 -2.65 5.36 0.00 -1.24 -1.15 120.51 124.38 1hky n ALA 61 Ca -0.16 -1.05 -0.30 0.00 0.00 0.00 0.00 53.44 51.93 1hky n ALA 61 Cb 0.51 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.58 1hky n ALA 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hky s ASP 62 N -6.25 3.51 -0.07 0.00 1.01 -1.26 -4.82 116.67 108.80 1hky s ASP 62 Ca -0.22 -1.66 -0.00 0.00 0.71 0.00 0.00 52.55 51.38 1hky s ASP 62 Cb 0.08 0.50 0.02 0.00 1.01 0.00 0.00 42.92 44.53 1hky s ASP 62 CO 0.72 -0.88 -0.04 -0.62 0.21 0.00 0.00 175.17 174.56 1hky s ASP 63 N -3.75 1.52 0.00 0.27 -1.08 -1.26 -4.98 116.67 107.39 1hky s ASP 63 Ca 0.15 -0.16 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 1hky s ASP 63 Cb 0.02 -0.56 0.00 0.00 -1.46 0.00 0.00 42.92 40.92 1hky s ASP 63 CO 0.09 -0.11 0.00 0.00 0.52 0.00 0.00 175.17 175.66 1hky n ALA 64 N 4.64 1.51 0.09 3.66 0.00 -1.26 -4.93 120.51 124.21 1hky n ALA 64 Ca -0.15 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.39 1hky n ALA 64 Cb 0.50 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.23 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 -1.09 2.41 -1.63 0.00 0.00 -1.26 -4.93 120.51 114.00 1hky n ALA 65 Ca 0.00 -1.06 -0.43 0.00 0.00 0.00 0.00 53.44 51.95 1hky n ALA 65 Cb 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 1hky n ALA 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hky s LEU 66 N -1.06 3.67 0.08 0.00 1.02 -1.26 -3.64 118.68 117.49 1hky s LEU 66 Ca 0.41 2.05 -0.03 0.00 0.02 0.00 0.00 54.13 56.59 1hky s LEU 66 Cb 0.22 -3.52 -0.03 0.00 0.02 0.00 0.00 46.19 42.88 1hky s LEU 66 CO 0.29 -1.75 0.05 -0.13 0.02 0.00 0.00 176.35 174.82 1hky s ARG 67 N 5.90 0.76 0.85 1.70 1.81 -0.82 -4.95 118.95 124.20 1hky s ARG 67 Ca 0.97 -1.24 -0.14 0.00 -1.72 0.00 0.00 55.73 53.60 1hky s ARG 67 Cb -0.35 0.25 0.21 0.00 -0.45 0.00 0.00 34.95 34.61 1hky s ARG 67 CO 0.36 -0.19 0.84 -0.35 -0.68 0.00 0.00 175.30 175.29 1hky n PRO 68 N 0.01 -2.13 0.17 3.54 -0.04 -1.26 -0.60 135.00 134.68 1hky n PRO 68 Ca -0.11 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 1hky n PRO 68 Cb 0.62 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 -3.98 0.00 -3.78 0.52 5.66 -1.11 -4.56 114.28 107.02 1hky n THR 69 Ca 0.11 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.99 1hky n THR 69 Cb 0.43 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.10 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 -2.00 0.41 0.00 1.09 2.20 -1.26 -5.02 119.74 115.15 1hky s LYS 70 Ca 0.00 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 1hky s LYS 70 Cb 0.00 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 1hky s LYS 70 CO 0.00 -0.08 0.00 -1.13 -0.36 0.00 0.00 175.35 173.78 1hky n SER 71 N 2.44 0.00 0.00 1.43 3.41 -1.26 -1.65 113.62 117.98 1hky n SER 71 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1hky n SER 71 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1hky n SER 71 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1hky n ASP 72 N -0.29 0.00 -1.87 4.04 2.03 -1.26 -0.95 116.55 118.26 1hky n ASP 72 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1hky n ASP 72 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1hky n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hky n GLY 73 N 0.00 2.68 3.99 0.27 0.00 -1.26 -5.09 105.19 105.78 1hky n GLY 73 Ca 0.00 -1.25 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.28 4.29 -0.25 4.61 0.00 -0.12 -3.43 121.76 124.58 1hky s ALA 74 Ca 0.35 -1.49 -0.26 0.00 0.00 0.00 0.00 51.96 50.55 1hky s ALA 74 Cb 0.37 -1.70 0.13 0.00 0.00 0.00 0.00 23.12 21.92 1hky s ALA 74 CO -0.08 -0.15 1.09 0.54 0.00 0.00 0.00 175.76 177.16 1hky s VAL 75 N -2.27 0.00 0.45 0.00 0.11 -0.08 -4.51 120.40 114.10 1hky s VAL 75 Ca 0.49 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.59 1hky s VAL 75 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 1hky s VAL 75 CO 0.32 0.00 0.13 -0.94 -3.33 0.00 0.00 175.10 171.28 1hky s SER 76 N -0.16 4.25 -0.29 3.54 1.04 -0.85 -1.35 113.70 119.88 1hky s SER 76 Ca 0.03 -1.29 0.03 0.00 0.48 0.00 0.00 55.95 55.20 1hky s SER 76 Cb -0.04 -0.17 0.18 0.00 0.10 0.00 0.00 66.02 66.10 1hky s SER 76 CO -0.06 -0.64 0.53 -0.83 0.98 0.00 0.00 173.24 173.22 1hky s GLY 77 N -3.89 -0.97 0.37 7.32 0.00 -0.94 -3.34 107.32 105.87 1hky s GLY 77 Ca 0.32 0.95 0.04 0.00 0.00 0.00 0.00 44.72 46.03 1hky s GLY 77 CO 0.17 3.39 0.15 0.54 0.00 0.00 0.00 173.10 177.36 1hky s ASN 78 N 2.74 2.32 -0.20 1.64 4.22 -1.26 -3.28 114.94 121.11 1hky s ASN 78 Ca 0.12 -1.64 -0.11 0.00 -2.14 0.00 0.00 52.86 49.08 1hky s ASN 78 Cb -0.12 0.45 0.04 0.00 1.28 0.00 0.00 41.25 42.91 1hky s ASN 78 CO -0.26 -0.92 0.22 1.17 -2.04 0.00 0.00 177.10 175.27 1hky n LYS 79 N -0.78 -4.46 0.28 3.55 4.81 -1.26 -4.23 118.16 116.06 1hky n LYS 79 Ca -0.02 3.38 0.19 0.00 -0.87 0.00 0.00 58.31 60.99 1hky n LYS 79 Cb 0.65 -5.10 0.96 0.00 0.02 0.00 0.00 35.03 31.56 1hky n LYS 79 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1hky h ARG 80 N 3.93 0.00 -5.66 1.64 2.43 -1.93 -3.22 114.38 111.57 1hky h ARG 80 Ca -0.50 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.56 1hky h ARG 80 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1hky h ARG 80 CO 0.02 0.00 -0.24 0.00 -1.51 0.00 0.00 179.97 178.24 1hky s ILE 82 N -3.01 0.02 0.00 0.00 1.10 -1.26 -5.02 121.20 113.04 1hky s ILE 82 Ca 0.01 -0.19 0.00 0.00 -0.51 0.00 0.00 60.65 59.96 1hky s ILE 82 Cb -0.00 -0.29 0.00 0.00 0.15 0.00 0.00 42.46 42.32 1hky s ILE 82 CO 0.78 -0.10 0.00 -0.11 -2.11 0.00 0.00 174.94 173.40 1hky n LEU 83 N 2.58 0.00 0.00 8.50 7.94 -1.26 -5.08 117.00 129.67 1hky n LEU 83 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 1hky n LEU 83 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 1hky n LEU 83 CO 0.21 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.67 1hky n LEU 84 N -1.05 0.00 -3.81 -1.96 4.77 -1.26 -4.51 117.00 109.18 1hky n LEU 84 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1hky n LEU 84 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1hky n LEU 84 CO 0.00 0.00 -0.07 -0.70 -1.33 0.00 0.00 177.39 175.29 1hky s GLU 85 N 0.00 0.52 0.00 3.23 2.56 -1.26 -5.35 118.70 118.39 1hky s GLU 85 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.97 54.82 1hky s GLU 85 Cb 0.00 0.23 0.00 0.00 2.00 0.00 0.00 34.13 36.36 1hky s GLU 85 CO 0.00 -0.12 0.23 -3.47 -0.56 0.00 0.00 175.26 171.33