#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 -3.90 0.00 1.24 4.11 -1.26 -5.02 117.16 112.33 1hky n TYR 2 Ca 0.00 -1.00 0.00 0.00 -0.00 0.00 0.00 57.90 56.90 1hky n TYR 2 Cb 0.00 -1.06 0.00 0.00 -0.00 0.00 0.00 39.34 38.28 1hky n TYR 2 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1hky n LYS 3 N -4.40 3.44 0.00 -3.48 5.02 -1.26 -5.06 118.16 112.42 1hky n LYS 3 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1hky n LYS 3 Cb 0.56 -0.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 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 -0.56 0.00 0.00 4.39 2.03 -1.26 -3.60 116.55 117.55 1hky n ASP 4 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1hky n ASP 4 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1hky n ASP 4 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1hky n ASP 5 N 2.90 0.00 0.00 1.67 2.03 -1.26 -5.12 116.55 116.77 1hky n ASP 5 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1hky n ASP 5 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.04 0.00 -3.17 1.67 2.03 -1.24 -5.15 116.55 109.65 1hky n ASP 6 Ca 0.00 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 1hky n ASP 6 Cb 0.00 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.50 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 -0.93 0.29 -3.74 1.67 9.92 -1.26 -5.03 116.55 117.46 1hky n ASP 7 Ca 0.00 -1.39 -0.30 0.00 -0.53 0.00 0.00 54.79 52.57 1hky n ASP 7 Cb 0.00 -0.49 0.24 0.00 -0.64 0.00 0.00 41.12 40.22 1hky n ASP 7 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1hky s LYS 8 N -4.36 -0.89 0.96 -1.24 -0.14 -1.26 -5.02 119.74 107.78 1hky s LYS 8 Ca 0.40 -0.31 -0.12 0.00 -1.36 0.00 0.00 55.97 54.58 1hky s LYS 8 Cb -0.01 -1.66 0.16 0.00 -1.68 0.00 0.00 37.83 34.64 1hky s LYS 8 CO 0.28 -3.45 1.11 0.14 -0.76 0.00 0.00 175.35 172.66 1hky s VAL 9 N -3.35 2.14 -0.16 3.17 -7.23 -1.26 -4.95 120.40 108.76 1hky s VAL 9 Ca 0.74 0.05 -0.29 0.00 -1.81 0.00 0.00 61.98 60.66 1hky s VAL 9 Cb -0.06 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 1hky s VAL 9 CO 0.55 -0.06 1.52 -0.54 -0.31 0.00 0.00 175.10 176.26 1hky s LYS 10 N -5.07 4.02 -0.00 4.82 1.02 -1.26 -4.85 119.74 118.42 1hky s LYS 10 Ca 0.64 1.79 0.11 0.00 0.02 0.00 0.00 55.97 58.53 1hky s LYS 10 Cb -0.17 -3.94 -0.13 0.00 -0.52 0.00 0.00 37.83 33.06 1hky s LYS 10 CO 0.56 -1.01 0.39 1.28 -0.92 0.00 0.00 175.35 175.65 1hky n LEU 11 N 7.55 0.36 0.00 3.17 4.32 -1.26 -4.96 117.00 126.18 1hky n LEU 11 Ca 0.17 -0.36 -0.11 0.00 -0.02 0.00 0.00 56.01 55.69 1hky n LEU 11 Cb 0.44 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.24 1hky n LEU 11 CO 0.62 0.09 0.02 0.35 -1.22 0.00 0.00 177.39 177.24 1hky n THR 12 N -1.43 0.00 0.00 -5.08 -2.24 -1.26 -4.80 114.28 99.47 1hky n THR 12 Ca 0.01 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1hky n THR 12 Cb 0.20 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1hky n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hky s TYR 14 N -0.95 -0.40 0.00 0.00 1.13 -1.26 -4.96 117.35 110.91 1hky s TYR 14 Ca 0.00 0.95 0.00 0.00 -1.41 0.00 0.00 57.07 56.61 1hky s TYR 14 Cb 0.00 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 41.00 1hky s TYR 14 CO 0.00 -0.21 0.00 0.00 -2.51 0.00 0.00 175.55 172.83 1hky n GLN 15 N 3.31 0.00 -0.83 -3.49 10.64 -1.18 -4.93 117.38 120.90 1hky n GLN 15 Ca -0.16 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.71 1hky n GLN 15 Cb 0.57 0.00 0.18 0.00 -0.86 0.00 0.00 30.24 30.13 1hky n GLN 15 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1hky s ASN 16 N -1.11 2.55 0.00 2.61 3.04 -1.26 -2.38 114.94 118.39 1hky s ASN 16 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 52.86 54.66 1hky s ASN 16 Cb 0.00 -2.37 0.00 0.00 -1.54 0.00 0.00 41.25 37.34 1hky s ASN 16 CO 0.00 -3.26 0.00 0.61 -3.04 0.00 0.00 177.10 171.41 1hky n GLY 17 N -0.07 1.29 7.00 1.21 0.00 -1.26 -3.95 105.19 109.41 1hky n GLY 17 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.00 -0.55 1.61 0.24 -1.26 -4.68 118.33 113.69 1hky n VAL 18 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1hky n VAL 18 Cb 0.00 0.00 0.24 0.00 -1.47 0.00 0.00 33.84 32.61 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 1.16 0.03 -1.34 0.15 -1.26 -4.38 113.70 104.05 1hky s SER 19 Ca 0.00 1.61 0.03 0.00 0.70 0.00 0.00 55.95 58.29 1hky s SER 19 Cb 0.00 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.95 1hky s SER 19 CO 0.00 -4.11 -0.10 -0.36 1.20 0.00 0.00 173.24 169.88 1hky s PHE 20 N -2.48 0.86 0.23 3.44 0.08 -1.26 -3.32 117.98 115.53 1hky s PHE 20 Ca 0.68 -0.32 -0.03 0.00 0.12 0.00 0.00 56.93 57.38 1hky s PHE 20 Cb -0.25 -0.52 -0.03 0.00 -0.57 0.00 0.00 43.02 41.65 1hky s PHE 20 CO 0.64 -0.01 0.24 -0.08 -0.10 0.00 0.00 175.22 175.90 1hky s THR 21 N -0.79 0.00 0.00 0.64 -1.32 -0.39 -4.91 115.64 108.87 1hky s THR 21 Ca -0.02 -1.84 0.00 0.00 -1.21 0.00 0.00 61.69 58.63 1hky s THR 21 Cb -0.07 -2.43 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 1hky s THR 21 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1hky n GLY 22 N -0.33 2.10 3.89 6.08 0.00 -1.26 -0.59 105.19 115.07 1hky n GLY 22 Ca 0.01 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.20 1.78 -0.42 -0.02 0.00 -1.26 -4.87 107.32 102.34 1hky s GLY 23 Ca 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 44.72 43.42 1hky s GLY 23 CO 0.00 -0.43 0.22 0.54 0.00 0.00 0.00 173.10 173.44 1hky s LYS 24 N -5.88 2.10 -0.01 2.90 -0.14 -1.26 -4.98 119.74 112.46 1hky s LYS 24 Ca 0.75 -1.79 -0.30 0.00 -1.36 0.00 0.00 55.97 53.27 1hky s LYS 24 Cb -0.03 -3.63 -0.07 0.00 -1.68 0.00 0.00 37.83 32.41 1hky s LYS 24 CO 0.54 -1.08 1.78 0.00 -0.76 0.00 0.00 175.35 175.83 1hky s ALA 25 N 1.18 3.61 0.61 5.17 0.00 -1.26 -4.85 121.76 126.21 1hky s ALA 25 Ca 0.07 1.11 0.34 0.00 0.00 0.00 0.00 51.96 53.48 1hky s ALA 25 Cb -0.23 -3.78 1.99 0.00 0.00 0.00 0.00 23.12 21.09 1hky s ALA 25 CO -0.03 -1.45 2.29 -0.84 0.00 0.00 0.00 175.76 175.72 1hky h ILE 26 N 5.55 0.38 -2.09 0.00 -0.00 -1.79 -3.44 117.51 116.12 1hky h ILE 26 Ca -0.44 -0.02 0.10 0.00 -0.00 0.00 0.00 64.86 64.51 1hky h ILE 26 Cb 1.20 1.01 -0.17 0.00 -0.00 0.00 0.00 36.82 38.86 1hky h ILE 26 CO 0.95 0.00 0.51 -0.55 -0.00 0.00 0.00 178.15 179.06 1hky s SER 27 N -5.88 -0.37 -0.02 2.16 0.15 -1.22 -5.04 113.70 103.48 1hky s SER 27 Ca -0.05 0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.69 1hky s SER 27 Cb 0.14 0.36 0.01 0.00 -1.71 0.00 0.00 66.02 64.83 1hky s SER 27 CO 0.51 -0.55 0.06 -1.61 1.20 0.00 0.00 173.24 172.86 1hky s GLU 28 N -2.59 0.07 -0.35 5.44 2.02 -1.26 -0.84 118.70 121.18 1hky s GLU 28 Ca 0.03 0.11 0.03 0.00 0.02 0.00 0.00 54.97 55.15 1hky s GLU 28 Cb -0.01 0.01 0.10 0.00 0.10 0.00 0.00 34.13 34.33 1hky s GLU 28 CO -0.06 -0.03 0.07 0.00 0.02 0.00 0.00 175.26 175.27 1hky s ALA 29 N 0.15 2.94 -0.81 5.21 0.00 -0.18 -4.93 121.76 124.14 1hky s ALA 29 Ca -0.01 -2.50 -0.26 0.00 0.00 0.00 0.00 51.96 49.20 1hky s ALA 29 Cb -0.02 -2.04 -0.15 0.00 0.00 0.00 0.00 23.12 20.91 1hky s ALA 29 CO -0.00 -1.69 2.39 1.63 0.00 0.00 0.00 175.76 178.09 1hky n LYS 30 N 4.33 0.52 -4.34 0.00 5.02 -1.26 -1.20 118.16 121.22 1hky n LYS 30 Ca 0.02 -0.88 -0.20 0.00 -2.02 0.00 0.00 58.31 55.23 1hky n LYS 30 Cb 0.42 -3.64 -0.13 0.00 -0.02 0.00 0.00 35.03 31.65 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 14.64 1.12 -1.48 7.82 0.00 -1.25 -4.93 121.76 137.67 1hky s ALA 31 Ca 0.93 -0.80 0.29 0.00 0.00 0.00 0.00 51.96 52.38 1hky s ALA 31 Cb -0.15 -0.17 1.23 0.00 0.00 0.00 0.00 23.12 24.04 1hky s ALA 31 CO 0.10 0.21 1.87 0.00 0.00 0.00 0.00 175.76 177.94 1hky n ALA 32 N 1.92 2.72 -3.01 0.00 0.00 -1.26 -2.54 120.51 118.33 1hky n ALA 32 Ca -0.18 -0.23 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 1hky n ALA 32 Cb 0.55 -1.36 -0.12 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.59 -0.06 0.47 0.00 0.01 -1.26 -4.77 113.70 105.50 1hky s SER 33 Ca 0.26 0.09 0.14 0.00 1.31 0.00 0.00 55.95 57.74 1hky s SER 33 Cb 0.20 0.21 1.07 0.00 0.21 0.00 0.00 66.02 67.72 1hky s SER 33 CO 0.50 -0.12 2.05 -1.28 0.41 0.00 0.00 173.24 174.80 1hky h SER 34 N 5.56 0.06 -1.01 2.44 0.87 -1.90 -2.21 113.55 117.36 1hky h SER 34 Ca -0.26 -0.01 0.23 0.00 -1.23 0.00 0.00 61.79 60.52 1hky h SER 34 Cb 1.20 -0.02 -0.11 0.00 -0.44 0.00 0.00 62.40 63.04 1hky h SER 34 CO 0.43 0.14 0.62 -0.61 -0.53 0.00 0.00 176.83 176.89 1hky h GLN 35 N 0.07 0.55 -0.03 2.24 -0.00 -1.99 0.89 115.11 116.84 1hky h GLN 35 Ca 0.02 -0.03 -0.17 0.00 -0.00 0.00 0.00 58.65 58.46 1hky h GLN 35 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.51 1hky h GLN 35 CO 0.01 0.36 -0.74 0.00 0.00 0.00 0.00 178.83 178.46 1hky h ALA 36 N 1.66 0.69 0.00 3.38 0.00 -1.82 -2.77 119.26 120.41 1hky h ALA 36 Ca 0.60 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1hky h ALA 36 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1hky h ALA 36 CO -0.37 0.84 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1hky h GLN 38 N 0.00 -0.04 -0.23 0.00 1.08 0.22 -1.47 115.11 114.67 1hky h GLN 38 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1hky h GLN 38 Cb 0.69 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1hky h GLN 38 CO 0.00 0.67 -0.12 0.93 -0.95 0.00 0.00 178.83 179.36 1hky h GLU 39 N -0.88 0.37 0.24 1.46 4.39 -1.51 -0.57 114.58 118.07 1hky h GLU 39 Ca -0.00 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1hky h GLU 39 Cb 0.72 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1hky h GLU 39 CO 0.01 0.49 -0.11 1.25 -1.16 0.00 0.00 179.01 179.49 1hky h LEU 40 N 0.35 -0.27 -1.82 1.33 7.12 -1.45 -2.79 115.31 117.78 1hky h LEU 40 Ca 0.07 -0.25 0.05 0.00 0.13 0.00 0.00 57.88 57.88 1hky h LEU 40 Cb 0.42 0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.61 1hky h LEU 40 CO 0.02 0.16 0.22 0.00 -0.13 0.00 0.00 178.44 178.72 1hky h GLU 42 N 0.23 0.11 -0.81 0.00 5.08 -1.03 -2.25 114.58 115.91 1hky h GLU 42 Ca 0.14 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1hky h GLU 42 Cb 0.28 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1hky h GLU 42 CO -0.03 0.43 0.03 1.63 -1.00 0.00 0.00 179.01 180.07 1hky n LYS 43 N -4.13 2.84 -4.63 2.33 4.76 -0.21 -4.82 118.16 114.30 1hky n LYS 43 Ca -0.02 -1.58 -0.24 0.00 -2.87 0.00 0.00 58.31 53.61 1hky n LYS 43 Cb 0.39 -1.86 -0.16 0.00 -1.84 0.00 0.00 35.03 31.56 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 -0.37 1.77 0.07 4.39 2.15 -0.85 -5.03 116.67 118.81 1hky s ASP 44 Ca 0.27 -0.29 0.05 0.00 0.43 0.00 0.00 52.55 53.02 1hky s ASP 44 Cb 0.21 -0.59 -0.23 0.00 -0.30 0.00 0.00 42.92 42.01 1hky s ASP 44 CO 0.08 0.09 1.10 0.00 -0.17 0.00 0.00 175.17 176.27 1hky h ALA 45 N 6.52 0.38 -0.11 3.66 0.00 -1.88 -3.22 119.26 124.63 1hky h ALA 45 Ca -0.32 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1hky h ALA 45 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1hky h ALA 45 CO 0.48 1.26 0.00 1.63 0.00 0.00 0.00 179.25 182.62 1hky n LYS 46 N -3.33 1.29 -3.44 0.00 5.02 -1.26 -4.83 118.16 111.61 1hky n LYS 46 Ca -0.06 -0.44 -0.38 0.00 -2.02 0.00 0.00 58.31 55.41 1hky n LYS 46 Cb 0.98 -1.18 -0.06 0.00 -0.02 0.00 0.00 35.03 34.76 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 2.15 0.00 -3.87 0.00 0.63 -1.25 -4.94 116.66 109.37 1hky n ARG 48 Ca -0.12 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.50 1hky n ARG 48 Cb 0.52 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.31 1hky n ARG 48 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1hky s PHE 49 N -2.00 3.37 0.94 -0.14 0.08 -0.43 -4.57 117.98 115.23 1hky s PHE 49 Ca 0.00 -3.14 -0.12 0.00 0.12 0.00 0.00 56.93 53.79 1hky s PHE 49 Cb 0.00 -2.89 0.15 0.00 -0.57 0.00 0.00 43.02 39.71 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 -0.65 2.24 -0.35 0.36 -0.71 -1.09 -1.55 117.98 116.22 1hky s PHE 50 Ca 0.20 1.14 0.07 0.00 -1.04 0.00 0.00 56.93 57.30 1hky s PHE 50 Cb -0.18 -3.21 0.19 0.00 -1.21 0.00 0.00 43.02 38.61 1hky s PHE 50 CO -0.06 -2.59 0.61 0.99 -1.34 0.00 0.00 175.22 172.84 1hky s THR 51 N -2.96 -1.00 0.56 -4.49 2.01 0.34 -2.57 115.64 107.53 1hky s THR 51 Ca 0.64 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.58 1hky s THR 51 Cb -0.18 -0.48 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 1hky s THR 51 CO 0.57 0.00 0.87 -0.22 -0.69 0.00 0.00 174.62 175.15 1hky s LEU 52 N 2.32 3.35 0.00 4.42 2.96 0.78 -0.87 118.68 131.64 1hky s LEU 52 Ca 0.13 0.82 0.00 0.00 -0.22 0.00 0.00 54.13 54.86 1hky s LEU 52 Cb -0.07 -3.70 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1hky s LEU 52 CO -0.16 -0.91 0.00 0.00 -1.32 0.00 0.00 176.35 173.96 1hky n ALA 53 N -2.50 0.00 0.28 5.97 0.00 0.47 -0.96 120.51 123.77 1hky n ALA 53 Ca 0.03 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.65 1hky n ALA 53 Cb 0.57 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.89 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 -1.91 -3.33 113.55 109.17 1hky h SER 54 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1hky h SER 54 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1hky h SER 54 CO 0.00 0.00 -0.02 0.61 -0.53 0.00 0.00 176.83 176.89 1hky n GLY 55 N -1.27 -0.73 3.52 5.77 0.00 -1.26 -4.79 105.19 106.43 1hky n GLY 55 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.01 0.46 0.15 1.61 2.20 -1.05 -3.96 119.74 119.15 1hky s LYS 56 Ca 0.01 1.13 -0.04 0.00 -0.36 0.00 0.00 55.97 56.71 1hky s LYS 56 Cb 0.04 0.68 -0.05 0.00 -1.51 0.00 0.00 37.83 36.98 1hky s LYS 56 CO -0.01 -0.18 0.37 0.00 -0.36 0.00 0.00 175.35 175.17 1hky s SER 58 N -2.55 0.37 -0.08 0.00 0.01 -0.05 -1.01 113.70 110.40 1hky s SER 58 Ca 0.40 0.50 -0.12 0.00 1.31 0.00 0.00 55.95 58.04 1hky s SER 58 Cb -0.12 0.83 -0.05 0.00 0.21 0.00 0.00 66.02 66.90 1hky s SER 58 CO 0.26 -0.26 0.28 -1.48 0.41 0.00 0.00 173.24 172.45 1hky s LEU 59 N 2.46 4.39 -0.13 2.44 2.34 -0.02 0.13 118.68 130.28 1hky s LEU 59 Ca 0.03 0.68 0.00 0.00 0.06 0.00 0.00 54.13 54.90 1hky s LEU 59 Cb -0.13 -2.35 0.02 0.00 -0.56 0.00 0.00 46.19 43.18 1hky s LEU 59 CO -0.11 0.31 -0.12 -0.36 -1.06 0.00 0.00 176.35 175.01 1hky s PHE 60 N -0.72 1.93 0.00 3.48 0.40 -0.60 -2.14 117.98 120.33 1hky s PHE 60 Ca 0.19 -1.05 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 1hky s PHE 60 Cb -0.14 -1.47 0.00 0.00 0.51 0.00 0.00 43.02 41.92 1hky s PHE 60 CO 0.08 -0.61 0.01 0.00 0.70 0.00 0.00 175.22 175.40 1hky n ALA 61 N 4.80 0.00 -1.91 5.36 0.00 -1.24 -1.31 120.51 126.21 1hky n ALA 61 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.99 1hky n ALA 61 Cb 0.50 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.13 1hky n ALA 61 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1hky s ASP 62 N -1.27 3.22 -0.70 0.00 1.47 -1.26 -4.63 116.67 113.49 1hky s ASP 62 Ca 0.00 0.34 -0.27 0.00 1.18 0.00 0.00 52.55 53.80 1hky s ASP 62 Cb 0.00 -0.44 0.02 0.00 -0.34 0.00 0.00 42.92 42.16 1hky s ASP 62 CO 0.00 -2.68 1.40 -1.81 0.68 0.00 0.00 175.17 172.76 1hky s ASP 63 N -4.83 5.99 -0.19 2.11 1.11 -1.26 -4.83 116.67 114.77 1hky s ASP 63 Ca 0.73 -0.26 0.09 0.00 0.18 0.00 0.00 52.55 53.29 1hky s ASP 63 Cb -0.05 -2.55 0.56 0.00 1.07 0.00 0.00 42.92 41.95 1hky s ASP 63 CO 0.53 -1.93 1.41 0.00 1.18 0.00 0.00 175.17 176.35 1hky n ALA 64 N 10.03 3.63 -2.48 5.23 0.00 -1.26 -4.87 120.51 130.79 1hky n ALA 64 Ca 0.07 -1.42 -0.19 0.00 0.00 0.00 0.00 53.44 51.89 1hky n ALA 64 Cb 0.50 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 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 0.30 -0.69 -1.99 0.00 0.00 -1.26 -4.28 120.51 112.59 1hky n ALA 65 Ca 0.22 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 1hky n ALA 65 Cb 0.97 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 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 -6.02 4.37 0.25 0.00 2.34 -1.26 -4.51 118.68 113.84 1hky s LEU 66 Ca 0.03 2.52 0.05 0.00 0.06 0.00 0.00 54.13 56.80 1hky s LEU 66 Cb -0.02 -3.59 -0.03 0.00 -0.56 0.00 0.00 46.19 42.00 1hky s LEU 66 CO 0.04 -0.79 0.37 -0.13 -1.06 0.00 0.00 176.35 174.78 1hky s ARG 67 N 1.32 3.41 1.23 1.48 0.52 0.24 -4.89 118.95 122.27 1hky s ARG 67 Ca 0.69 -0.79 -0.21 0.00 -0.52 0.00 0.00 55.73 54.91 1hky s ARG 67 Cb -0.41 -2.88 0.30 0.00 0.52 0.00 0.00 34.95 32.48 1hky s ARG 67 CO 0.31 0.39 1.13 -1.25 0.02 0.00 0.00 175.30 175.90 1hky s PRO 68 N -4.00 -1.47 0.00 3.54 0.04 -1.26 -1.26 135.00 130.58 1hky s PRO 68 Ca 0.35 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1hky s PRO 68 Cb -0.09 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.87 1hky s PRO 68 CO 0.29 -3.85 0.00 0.25 0.04 0.00 0.00 177.00 173.73 1hky n THR 69 N -4.83 0.00 0.81 1.26 -2.24 -1.21 -4.50 114.28 103.56 1hky n THR 69 Ca 0.15 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.02 1hky n THR 69 Cb 0.60 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.84 1hky n THR 69 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1hky n LYS 70 N 0.00 1.55 -1.19 -0.78 4.76 -1.26 -4.96 118.16 116.28 1hky n LYS 70 Ca 0.00 -0.98 -0.33 0.00 -2.87 0.00 0.00 58.31 54.13 1hky n LYS 70 Cb 0.00 -1.35 0.12 0.00 -1.84 0.00 0.00 35.03 31.96 1hky n LYS 70 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1hky s SER 71 N -2.03 3.80 0.00 4.39 0.01 -1.26 -4.97 113.70 113.65 1hky s SER 71 Ca 0.16 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.71 1hky s SER 71 Cb 0.15 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1hky s SER 71 CO 0.43 -2.52 0.00 -0.67 0.41 0.00 0.00 173.24 170.89 1hky n ASP 72 N -3.22 2.67 0.13 2.44 2.03 -1.26 -4.72 116.55 114.62 1hky n ASP 72 Ca 0.13 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.57 1hky n ASP 72 Cb 0.51 0.24 0.41 0.00 -0.72 0.00 0.00 41.12 41.56 1hky n ASP 72 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1hky h GLY 73 N 0.00 0.00 -0.93 0.27 0.00 -1.98 -3.46 103.07 96.97 1hky h GLY 73 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 1hky h GLY 73 CO 0.00 0.00 0.12 0.00 0.00 0.00 0.00 176.54 176.66 1hky s ALA 74 N -3.19 0.38 -0.20 3.60 0.00 -1.26 -4.62 121.76 116.47 1hky s ALA 74 Ca 0.08 -0.40 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 1hky s ALA 74 Cb 0.11 -3.12 0.06 0.00 0.00 0.00 0.00 23.12 20.17 1hky s ALA 74 CO 0.56 -3.31 0.50 0.54 0.00 0.00 0.00 175.76 174.06 1hky s VAL 75 N -2.81 -0.01 0.23 0.00 0.11 -0.14 -4.49 120.40 113.30 1hky s VAL 75 Ca 0.67 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.78 1hky s VAL 75 Cb -0.19 -0.72 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 1hky s VAL 75 CO 0.60 0.01 0.03 -0.94 -3.33 0.00 0.00 175.10 171.47 1hky s SER 76 N 0.95 1.57 0.00 3.54 1.04 -1.00 -0.15 113.70 119.64 1hky s SER 76 Ca -0.05 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.11 1hky s SER 76 Cb -0.06 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1hky s SER 76 CO -0.08 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1hky n GLY 77 N -0.41 -0.95 0.10 7.32 0.00 -1.06 -3.12 105.19 107.06 1hky n GLY 77 Ca -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1hky n GLY 77 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hky n ASN 78 N 0.33 0.00 0.00 1.61 3.02 -1.26 -2.68 115.26 116.28 1hky n ASN 78 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1hky n ASN 78 Cb 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1hky n ASN 78 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1hky n LYS 79 N -1.18 0.00 -2.23 3.52 3.00 -1.26 -4.62 118.16 115.39 1hky n LYS 79 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.13 1hky n LYS 79 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.12 1hky n LYS 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1hky n ARG 80 N -1.93 0.10 -3.25 1.64 1.74 -1.26 -5.04 116.66 108.65 1hky n ARG 80 Ca 0.00 -2.23 -0.04 0.00 -0.77 0.00 0.00 57.85 54.81 1hky n ARG 80 Cb 0.00 -0.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.91 1hky n ARG 80 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hky n ILE 82 N 4.44 3.65 -4.34 0.00 -6.64 -1.26 -4.87 119.36 110.34 1hky n ILE 82 Ca 0.11 -2.69 -0.18 0.00 -1.77 0.00 0.00 62.75 58.21 1hky n ILE 82 Cb 0.53 -1.92 -0.14 0.00 -1.44 0.00 0.00 39.64 36.68 1hky n ILE 82 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 1hky s LEU 83 N -1.22 2.09 0.44 7.28 2.96 -1.26 -5.16 118.68 123.80 1hky s LEU 83 Ca 0.62 -0.29 0.08 0.00 -0.22 0.00 0.00 54.13 54.32 1hky s LEU 83 Cb 0.31 -0.48 -0.01 0.00 0.50 0.00 0.00 46.19 46.51 1hky s LEU 83 CO -0.11 0.06 0.41 -0.76 -1.32 0.00 0.00 176.35 174.63 1hky s LEU 84 N -0.62 3.33 -0.45 -0.68 1.43 -1.26 -4.96 118.68 115.46 1hky s LEU 84 Ca 0.02 -0.78 -0.19 0.00 -1.03 0.00 0.00 54.13 52.15 1hky s LEU 84 Cb -0.05 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1hky s LEU 84 CO 0.00 -0.74 0.56 -1.61 0.23 0.00 0.00 176.35 174.80 1hky s GLU 85 N -4.19 3.17 0.00 1.70 2.02 -1.26 -5.03 118.70 115.12 1hky s GLU 85 Ca 0.48 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.82 1hky s GLU 85 Cb -0.04 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 30.20 1hky s GLU 85 CO 0.28 -1.01 0.00 -0.25 0.02 0.00 0.00 175.26 174.30