#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hky s TYR 2 N 0.00 2.31 0.00 1.24 -0.85 -1.26 -4.78 117.35 114.01 1hky s TYR 2 Ca 0.00 1.49 0.00 0.00 -0.52 0.00 0.00 57.07 58.04 1hky s TYR 2 Cb 0.00 -3.57 0.00 0.00 0.38 0.00 0.00 41.96 38.77 1hky s TYR 2 CO 0.00 -2.46 0.00 1.63 -1.52 0.00 0.00 175.55 173.20 1hky n LYS 3 N -1.56 0.00 0.00 -3.49 5.02 -1.26 -4.74 118.16 112.14 1hky n LYS 3 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1hky n LYS 3 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 1hky n LYS 3 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1hky n ASP 4 N -3.15 4.45 0.00 4.39 9.92 -1.26 -5.07 116.55 125.83 1hky n ASP 4 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1hky n ASP 4 Cb 0.00 0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 1hky n ASP 4 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1hky n ASP 5 N -2.26 0.00 0.00 -2.24 2.03 -1.26 -5.05 116.55 107.78 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 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 -0.90 0.00 0.00 1.67 -0.08 -1.26 -5.08 116.55 110.90 1hky n ASP 6 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1hky n ASP 6 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1hky n ASP 6 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1hky n ASP 7 N -0.74 0.00 -0.44 1.67 9.92 -1.26 -4.91 116.55 120.79 1hky n ASP 7 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1hky n ASP 7 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1hky n ASP 7 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1hky n LYS 8 N 0.00 0.00 -3.48 -1.24 4.76 -1.26 -4.66 118.16 112.27 1hky n LYS 8 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1hky n LYS 8 Cb 0.00 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 1hky n LYS 8 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1hky s VAL 9 N 0.00 0.30 -0.34 -0.18 -7.23 -1.26 -5.10 120.40 106.58 1hky s VAL 9 Ca 0.00 -1.89 -0.13 0.00 -1.81 0.00 0.00 61.98 58.15 1hky s VAL 9 Cb 0.00 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.70 1hky s VAL 9 CO 0.00 -1.00 0.24 -0.54 -0.31 0.00 0.00 175.10 173.49 1hky s LYS 10 N 0.90 3.49 0.00 4.82 1.02 -1.26 -4.88 119.74 123.83 1hky s LYS 10 Ca 0.19 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1hky s LYS 10 Cb -0.21 -3.81 0.00 0.00 -0.52 0.00 0.00 37.83 33.29 1hky s LYS 10 CO -0.01 -0.45 0.00 1.28 -0.92 0.00 0.00 175.35 175.25 1hky n LEU 11 N 5.11 1.21 -4.93 3.17 4.77 -1.26 -5.07 117.00 119.99 1hky n LEU 11 Ca -0.13 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.56 1hky n LEU 11 Cb 0.50 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.77 1hky n LEU 11 CO 0.37 0.20 0.86 0.42 -1.33 0.00 0.00 177.39 177.91 1hky s THR 12 N -1.89 2.01 -0.10 -5.08 -4.23 -1.26 -5.09 115.64 100.00 1hky s THR 12 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 1hky s THR 12 Cb 0.00 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.88 1hky s THR 12 CO 0.00 0.00 -0.09 0.00 -0.54 0.00 0.00 174.62 173.99 1hky n TYR 14 N 4.64 -1.51 -3.49 0.00 4.11 -1.26 -4.91 117.16 114.73 1hky n TYR 14 Ca -0.15 -2.07 -0.15 0.00 -0.00 0.00 0.00 57.90 55.52 1hky n TYR 14 Cb 0.50 -0.47 -0.05 0.00 -0.00 0.00 0.00 39.34 39.33 1hky n TYR 14 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.86 175.72 1hky s GLN 15 N -4.29 1.10 2.11 -3.48 0.74 0.40 -4.96 119.66 111.29 1hky s GLN 15 Ca 0.43 -0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.84 1hky s GLN 15 Cb -0.03 0.52 0.00 0.00 1.10 0.00 0.00 33.01 34.59 1hky s GLN 15 CO 0.28 -0.40 0.00 0.09 -0.55 0.00 0.00 175.29 174.70 1hky n ASN 16 N 0.44 -3.48 -0.84 6.67 3.02 -1.26 -2.07 115.26 117.74 1hky n ASN 16 Ca -0.18 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.33 1hky n ASN 16 Cb 0.60 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.72 1hky n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hky n GLY 17 N 0.00 0.22 3.08 7.41 0.00 -1.26 -4.66 105.19 109.98 1hky n GLY 17 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1hky n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hky s VAL 18 N 0.00 0.80 1.12 1.61 -7.23 -1.18 -4.39 120.40 111.13 1hky s VAL 18 Ca 0.00 -0.85 -0.16 0.00 -1.81 0.00 0.00 61.98 59.16 1hky s VAL 18 Cb 0.00 -0.76 0.25 0.00 0.56 0.00 0.00 36.38 36.43 1hky s VAL 18 CO 0.00 -0.07 1.10 -0.94 -0.31 0.00 0.00 175.10 174.88 1hky s SER 19 N -1.03 1.58 0.12 4.85 1.04 -0.54 -4.54 113.70 115.19 1hky s SER 19 Ca -0.01 0.86 0.07 0.00 0.48 0.00 0.00 55.95 57.35 1hky s SER 19 Cb -0.07 -1.29 -0.04 0.00 0.10 0.00 0.00 66.02 64.72 1hky s SER 19 CO 0.01 -3.74 -0.17 -0.36 0.98 0.00 0.00 173.24 169.95 1hky s PHE 20 N -2.98 1.61 0.28 5.02 0.08 -1.26 -3.71 117.98 117.02 1hky s PHE 20 Ca 0.69 -0.48 -0.18 0.00 0.12 0.00 0.00 56.93 57.08 1hky s PHE 20 Cb -0.14 -0.85 0.01 0.00 -0.57 0.00 0.00 43.02 41.48 1hky s PHE 20 CO 0.57 0.21 0.64 -0.08 -0.10 0.00 0.00 175.22 176.46 1hky s THR 21 N -1.73 0.00 0.00 0.64 -1.32 0.67 -4.91 115.64 108.98 1hky s THR 21 Ca 0.09 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.42 1hky s THR 21 Cb -0.07 -2.15 0.00 0.00 -1.51 0.00 0.00 72.50 68.77 1hky s THR 21 CO 0.04 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 1hky n GLY 22 N -0.44 1.64 3.54 6.08 0.00 -1.26 -0.91 105.19 113.84 1hky n GLY 22 Ca -0.03 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.27 1.54 -0.77 -0.02 0.00 -0.21 -4.76 107.32 102.83 1hky s GLY 23 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 44.72 43.92 1hky s GLY 23 CO 0.00 0.08 0.63 0.54 0.00 0.00 0.00 173.10 174.35 1hky s LYS 24 N -5.20 2.98 -0.16 2.90 -0.14 -1.26 -4.93 119.74 113.93 1hky s LYS 24 Ca 0.69 -2.92 -0.29 0.00 -1.36 0.00 0.00 55.97 52.10 1hky s LYS 24 Cb -0.13 -3.88 -0.06 0.00 -1.68 0.00 0.00 37.83 32.09 1hky s LYS 24 CO 0.57 -1.23 2.08 0.00 -0.76 0.00 0.00 175.35 176.01 1hky s ALA 25 N -0.73 3.00 -1.20 5.17 0.00 -1.26 -4.81 121.76 121.93 1hky s ALA 25 Ca 0.22 0.86 0.13 0.00 0.00 0.00 0.00 51.96 53.17 1hky s ALA 25 Cb -0.13 -3.99 0.58 0.00 0.00 0.00 0.00 23.12 19.58 1hky s ALA 25 CO -0.08 -2.40 1.36 0.44 0.00 0.00 0.00 175.76 175.08 1hky n ILE 26 N 7.05 0.93 -3.64 0.00 -0.00 -1.12 -4.71 119.36 117.87 1hky n ILE 26 Ca 0.26 0.23 -0.05 0.00 -0.00 0.00 0.00 62.75 63.19 1hky n ILE 26 Cb 0.44 -1.02 -0.07 0.00 -0.00 0.00 0.00 39.64 38.99 1hky n ILE 26 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1hky s SER 27 N -2.80 -0.20 0.01 7.28 0.15 -1.25 -5.06 113.70 111.82 1hky s SER 27 Ca 0.09 0.38 0.05 0.00 0.70 0.00 0.00 55.95 57.17 1hky s SER 27 Cb 0.08 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.76 1hky s SER 27 CO 0.21 -0.07 -0.15 -1.61 1.20 0.00 0.00 173.24 172.81 1hky s GLU 28 N 0.04 1.16 -0.34 5.44 2.02 -1.26 -1.30 118.70 124.45 1hky s GLU 28 Ca 0.06 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.44 1hky s GLU 28 Cb -0.05 -1.15 0.10 0.00 0.10 0.00 0.00 34.13 33.13 1hky s GLU 28 CO -0.12 0.30 0.06 0.00 0.02 0.00 0.00 175.26 175.53 1hky s ALA 29 N -0.54 2.77 -0.80 5.21 0.00 -0.30 -4.93 121.76 123.17 1hky s ALA 29 Ca 0.05 -2.48 -0.24 0.00 0.00 0.00 0.00 51.96 49.29 1hky s ALA 29 Cb -0.07 -1.94 -0.16 0.00 0.00 0.00 0.00 23.12 20.95 1hky s ALA 29 CO 0.00 -1.70 2.39 1.63 0.00 0.00 0.00 175.76 178.08 1hky n LYS 30 N 4.27 0.51 -3.97 0.00 5.02 -1.26 -0.66 118.16 122.07 1hky n LYS 30 Ca 0.03 -0.71 -0.09 0.00 -2.02 0.00 0.00 58.31 55.53 1hky n LYS 30 Cb 0.42 -3.35 -0.10 0.00 -0.02 0.00 0.00 35.03 31.97 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 12.94 0.09 -2.53 7.82 0.00 -1.23 -4.90 121.76 133.95 1hky s ALA 31 Ca 0.98 -0.60 0.26 0.00 0.00 0.00 0.00 51.96 52.60 1hky s ALA 31 Cb -0.23 0.17 0.58 0.00 0.00 0.00 0.00 23.12 23.65 1hky s ALA 31 CO 0.15 -0.21 1.47 0.00 0.00 0.00 0.00 175.76 177.17 1hky n ALA 32 N 1.28 2.71 -3.21 0.00 0.00 -1.26 -1.46 120.51 118.57 1hky n ALA 32 Ca -0.22 -0.55 -0.18 0.00 0.00 0.00 0.00 53.44 52.49 1hky n ALA 32 Cb 0.56 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.12 0.83 0.45 0.00 0.01 -1.26 -4.81 113.70 106.80 1hky s SER 33 Ca 0.30 -0.12 0.13 0.00 1.31 0.00 0.00 55.95 57.57 1hky s SER 33 Cb 0.20 -0.27 1.04 0.00 0.21 0.00 0.00 66.02 67.20 1hky s SER 33 CO 0.37 0.01 2.04 0.28 0.41 0.00 0.00 173.24 176.35 1hky h SER 34 N 6.60 0.31 -0.89 2.44 0.02 -1.92 -1.98 113.55 118.13 1hky h SER 34 Ca -0.34 -0.00 0.16 0.00 -0.84 0.00 0.00 61.79 60.77 1hky h SER 34 Cb 1.17 -0.07 -0.10 0.00 0.14 0.00 0.00 62.40 63.54 1hky h SER 34 CO 0.49 0.21 0.47 -0.61 -1.14 0.00 0.00 176.83 176.25 1hky h GLN 35 N 0.36 0.61 -0.60 3.45 -0.00 -1.99 0.14 115.11 117.07 1hky h GLN 35 Ca 0.18 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.65 58.71 1hky h GLN 35 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.57 1hky h GLN 35 CO -0.04 0.40 0.05 0.00 0.00 0.00 0.00 178.83 179.24 1hky h ALA 36 N 1.60 0.95 0.00 3.38 0.00 -1.79 -2.06 119.26 121.34 1hky h ALA 36 Ca 0.50 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1hky h ALA 36 Cb 0.75 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1hky h ALA 36 CO -0.39 0.64 -0.15 0.00 0.00 0.00 0.00 179.25 179.35 1hky h GLN 38 N 0.00 0.29 -0.22 0.00 1.08 -0.20 -1.50 115.11 114.56 1hky h GLN 38 Ca -0.00 -0.20 -0.15 0.00 -1.45 0.00 0.00 58.65 56.85 1hky h GLN 38 Cb 0.58 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 1hky h GLN 38 CO 0.02 0.80 -0.50 0.93 -0.95 0.00 0.00 178.83 179.14 1hky h GLU 39 N -0.18 0.61 0.64 1.46 4.39 -1.33 -1.78 114.58 118.39 1hky h GLU 39 Ca -0.00 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.31 1hky h GLU 39 Cb 0.81 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1hky h GLU 39 CO 0.04 0.96 -0.31 1.25 -1.16 0.00 0.00 179.01 179.80 1hky h LEU 40 N 0.48 -0.73 -2.27 1.33 7.12 -1.32 -2.76 115.31 117.16 1hky h LEU 40 Ca 0.02 -0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 1hky h LEU 40 Cb 1.04 0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 41.36 1hky h LEU 40 CO 0.10 -0.40 -0.00 0.00 -0.13 0.00 0.00 178.44 178.00 1hky h GLU 42 N 0.00 0.55 0.00 0.00 4.81 -1.11 -1.36 114.58 117.48 1hky h GLU 42 Ca -0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1hky h GLU 42 Cb 0.01 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1hky h GLU 42 CO 0.00 0.61 0.00 1.63 -0.73 0.00 0.00 179.01 180.52 1hky n LYS 43 N -4.24 0.19 -2.84 1.92 5.02 -0.46 -4.80 118.16 112.96 1hky n LYS 43 Ca 0.01 0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 56.17 1hky n LYS 43 Cb 0.28 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 1hky n LYS 43 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1hky s ASP 44 N -2.76 5.60 -0.06 4.39 2.15 -0.51 -5.03 116.67 120.45 1hky s ASP 44 Ca 0.17 0.16 0.09 0.00 0.43 0.00 0.00 52.55 53.40 1hky s ASP 44 Cb 0.15 -1.26 0.14 0.00 -0.30 0.00 0.00 42.92 41.65 1hky s ASP 44 CO 0.38 -0.89 1.02 0.00 -0.17 0.00 0.00 175.17 175.52 1hky n ALA 45 N -2.19 2.02 -0.79 3.66 0.00 -1.26 -4.65 120.51 117.30 1hky n ALA 45 Ca 0.04 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.77 1hky n ALA 45 Cb 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.80 0.62 -3.12 0.00 4.76 -1.26 -5.01 118.16 113.36 1hky n LYS 46 Ca 0.07 -0.70 -0.45 0.00 -2.87 0.00 0.00 58.31 54.37 1hky n LYS 46 Cb 0.54 -0.61 -0.04 0.00 -1.84 0.00 0.00 35.03 33.08 1hky n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hky h ARG 48 N 9.07 0.00 -4.54 0.00 3.08 -1.76 -3.48 114.38 116.74 1hky h ARG 48 Ca -0.25 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.57 1hky h ARG 48 Cb 1.08 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.98 1hky h ARG 48 CO 1.08 0.39 -0.59 -0.06 -1.07 0.00 0.00 179.97 179.72 1hky s PHE 49 N -2.82 1.13 0.03 3.04 0.08 0.28 -4.22 117.98 115.51 1hky s PHE 49 Ca -0.03 -1.35 -0.07 0.00 0.12 0.00 0.00 56.93 55.60 1hky s PHE 49 Cb 0.08 -0.52 -0.00 0.00 -0.57 0.00 0.00 43.02 42.01 1hky s PHE 49 CO 0.81 -0.66 0.13 -0.59 -0.10 0.00 0.00 175.22 174.82 1hky s PHE 50 N -4.14 0.12 -0.28 0.36 -0.71 -1.25 -1.28 117.98 110.79 1hky s PHE 50 Ca 0.38 -0.35 0.01 0.00 -1.04 0.00 0.00 56.93 55.94 1hky s PHE 50 Cb 0.07 -0.09 0.16 0.00 -1.21 0.00 0.00 43.02 41.95 1hky s PHE 50 CO 0.12 -0.36 0.44 0.99 -1.34 0.00 0.00 175.22 175.06 1hky s THR 51 N -2.29 -0.70 0.49 -4.49 2.01 0.11 -2.26 115.64 108.52 1hky s THR 51 Ca -0.07 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 1hky s THR 51 Cb -0.03 -0.95 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 1hky s THR 51 CO -0.03 -0.19 0.74 -0.22 -0.69 0.00 0.00 174.62 174.23 1hky s LEU 52 N 2.60 3.53 0.00 4.42 2.96 0.46 -0.42 118.68 132.22 1hky s LEU 52 Ca 0.11 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 1hky s LEU 52 Cb -0.13 -3.31 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1hky s LEU 52 CO -0.26 -0.80 0.00 0.00 -1.32 0.00 0.00 176.35 173.97 1hky n ALA 53 N -2.23 0.00 -0.03 5.97 0.00 0.85 -0.76 120.51 124.31 1hky n ALA 53 Ca 0.02 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.68 1hky n ALA 53 Cb 0.57 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.72 1hky n ALA 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hky h SER 54 N 0.00 0.00 0.00 0.00 4.64 -1.63 -3.34 113.55 113.21 1hky h SER 54 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1hky h SER 54 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1hky h SER 54 CO 0.00 0.00 -0.14 0.61 -0.87 0.00 0.00 176.83 176.43 1hky n GLY 55 N -1.65 0.24 3.64 -0.77 0.00 -1.25 -4.67 105.19 100.72 1hky n GLY 55 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 0.03 0.65 0.15 1.61 2.20 -0.54 -3.47 119.74 120.37 1hky s LYS 56 Ca 0.02 1.32 0.01 0.00 -0.36 0.00 0.00 55.97 56.96 1hky s LYS 56 Cb 0.11 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.84 1hky s LYS 56 CO -0.03 -0.17 0.30 0.00 -0.36 0.00 0.00 175.35 175.09 1hky s SER 58 N -3.11 -0.04 0.04 0.00 0.01 0.44 -1.14 113.70 109.89 1hky s SER 58 Ca 0.36 0.62 -0.09 0.00 1.31 0.00 0.00 55.95 58.14 1hky s SER 58 Cb -0.11 1.25 -0.05 0.00 0.21 0.00 0.00 66.02 67.31 1hky s SER 58 CO 0.28 -0.26 0.35 -1.48 0.41 0.00 0.00 173.24 172.54 1hky s LEU 59 N 2.58 4.37 -0.06 2.44 2.34 -0.42 0.08 118.68 130.01 1hky s LEU 59 Ca 0.06 0.71 0.02 0.00 0.06 0.00 0.00 54.13 54.98 1hky s LEU 59 Cb -0.14 -2.82 0.02 0.00 -0.56 0.00 0.00 46.19 42.69 1hky s LEU 59 CO -0.14 0.22 -0.09 -0.36 -1.06 0.00 0.00 176.35 174.92 1hky s PHE 60 N -1.33 1.18 0.00 3.48 0.08 -0.41 -2.77 117.98 118.21 1hky s PHE 60 Ca 0.30 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.93 1hky s PHE 60 Cb -0.14 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 1hky s PHE 60 CO 0.17 -0.26 0.16 0.00 -0.10 0.00 0.00 175.22 175.19 1hky n ALA 61 N 3.98 -0.02 -3.17 5.36 0.00 -1.25 -0.55 120.51 124.85 1hky n ALA 61 Ca -0.23 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.24 1hky n ALA 61 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 1hky n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1hky s ASP 62 N -1.52 -1.31 0.00 0.00 -1.08 -1.26 -4.41 116.67 107.08 1hky s ASP 62 Ca 0.00 0.50 0.00 0.00 -0.52 0.00 0.00 52.55 52.53 1hky s ASP 62 Cb 0.00 2.01 0.00 0.00 -1.46 0.00 0.00 42.92 43.47 1hky s ASP 62 CO 0.00 -0.28 0.00 -0.67 0.52 0.00 0.00 175.17 174.74 1hky n ASP 63 N 5.42 0.00 -1.02 -0.34 2.03 -1.26 -5.02 116.55 116.36 1hky n ASP 63 Ca 0.01 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.19 1hky n ASP 63 Cb 0.52 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 1hky n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hky n ALA 64 N -0.62 -0.20 -0.20 -1.67 0.00 -1.26 -4.80 120.51 111.75 1hky n ALA 64 Ca 0.00 0.21 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1hky n ALA 64 Cb 0.00 -1.84 0.30 0.00 0.00 0.00 0.00 19.45 17.91 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 1.22 2.92 -2.89 0.00 0.00 -1.26 -4.92 120.51 115.58 1hky n ALA 65 Ca -0.13 -1.28 -0.34 0.00 0.00 0.00 0.00 53.44 51.68 1hky n ALA 65 Cb 0.61 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.53 4.38 0.10 0.00 2.34 -1.26 -1.05 118.68 121.66 1hky s LEU 66 Ca 0.43 0.39 -0.09 0.00 0.06 0.00 0.00 54.13 54.92 1hky s LEU 66 Cb 0.27 -2.51 -0.00 0.00 -0.56 0.00 0.00 46.19 43.39 1hky s LEU 66 CO 0.22 0.29 0.20 -0.13 -1.06 0.00 0.00 176.35 175.87 1hky s ARG 67 N -1.74 0.90 1.19 1.48 0.52 -0.09 -4.88 118.95 116.33 1hky s ARG 67 Ca 0.25 -1.00 -0.18 0.00 -0.52 0.00 0.00 55.73 54.28 1hky s ARG 67 Cb -0.13 0.35 0.28 0.00 0.52 0.00 0.00 34.95 35.97 1hky s ARG 67 CO 0.15 -0.29 1.08 -1.25 0.02 0.00 0.00 175.30 175.02 1hky s PRO 68 N -3.88 -1.08 0.00 3.54 0.04 -1.26 -0.23 135.00 132.13 1hky s PRO 68 Ca 0.07 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.21 1hky s PRO 68 Cb 0.05 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.99 1hky s PRO 68 CO -0.09 -3.65 0.00 -2.37 0.04 0.00 0.00 177.00 170.93 1hky n THR 69 N -4.75 0.00 -3.82 1.26 5.66 -1.24 -4.68 114.28 106.71 1hky n THR 69 Ca 0.11 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.06 1hky n THR 69 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 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 -0.98 1.54 -0.47 1.09 2.20 -1.26 -5.04 119.74 116.82 1hky s LYS 70 Ca 0.00 -0.92 0.06 0.00 -0.36 0.00 0.00 55.97 54.75 1hky s LYS 70 Cb 0.00 0.47 0.22 0.00 -1.51 0.00 0.00 37.83 37.01 1hky s LYS 70 CO 0.00 -0.71 0.50 -1.13 -0.36 0.00 0.00 175.35 173.65 1hky n SER 71 N -0.86 0.88 -3.46 1.43 3.41 -1.26 -1.46 113.62 112.29 1hky n SER 71 Ca -0.05 -2.78 -0.30 0.00 -0.26 0.00 0.00 58.87 55.47 1hky n SER 71 Cb 0.60 -0.63 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 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 1.78 4.47 -0.47 4.04 2.03 -1.26 -4.76 116.55 122.37 1hky n ASP 72 Ca 0.25 -3.49 -0.05 0.00 0.52 0.00 0.00 54.79 52.02 1hky n ASP 72 Cb 0.48 -0.78 -0.02 0.00 -0.72 0.00 0.00 41.12 40.09 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 0.74 0.55 3.85 0.27 0.00 -1.26 -3.48 105.19 105.86 1hky n GLY 73 Ca 0.30 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.22 3.73 0.21 4.61 0.00 -1.26 -3.69 121.76 123.14 1hky s ALA 74 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.70 1hky s ALA 74 Cb 0.00 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 1hky s ALA 74 CO 0.00 0.52 -0.07 0.08 0.00 0.00 0.00 175.76 176.29 1hky s VAL 75 N -1.15 1.29 0.16 0.00 1.01 0.06 -3.13 120.40 118.65 1hky s VAL 75 Ca 0.25 -2.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.03 1hky s VAL 75 Cb -0.15 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1hky s VAL 75 CO 0.13 -0.50 0.34 -0.94 0.00 0.00 0.00 175.10 174.14 1hky s SER 76 N -3.29 -0.04 0.38 3.32 1.04 -0.88 -0.41 113.70 113.82 1hky s SER 76 Ca 0.24 -0.73 -0.16 0.00 0.48 0.00 0.00 55.95 55.78 1hky s SER 76 Cb 0.03 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.67 1hky s SER 76 CO 0.06 -0.92 0.78 -0.83 0.98 0.00 0.00 173.24 173.31 1hky s GLY 77 N -2.93 0.35 0.04 7.32 0.00 -0.96 -0.45 107.32 110.70 1hky s GLY 77 Ca 0.13 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1hky s GLY 77 CO -0.02 -0.30 0.03 0.70 0.00 0.00 0.00 173.10 173.51 1hky n ASN 78 N -1.34 0.11 -0.12 1.64 3.02 -1.26 -3.89 115.26 113.42 1hky n ASN 78 Ca -0.08 -1.27 -0.11 0.00 -0.03 0.00 0.00 54.58 53.09 1hky n ASN 78 Cb 0.60 0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.94 1hky n ASN 78 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1hky h LYS 79 N 0.00 0.64 -7.35 3.52 3.64 -2.01 -3.44 116.57 111.57 1hky h LYS 79 Ca -0.03 -0.21 -0.49 0.00 -1.27 0.00 0.00 60.65 58.66 1hky h LYS 79 Cb 0.15 -0.06 0.14 0.00 -0.41 0.00 0.00 32.23 32.05 1hky h LYS 79 CO 0.05 0.75 0.27 0.50 -2.27 0.00 0.00 179.45 178.75 1hky s ARG 80 N -4.99 1.53 -0.51 1.90 3.52 -1.26 -5.05 118.95 114.09 1hky s ARG 80 Ca -0.13 0.83 0.07 0.00 -0.13 0.00 0.00 55.73 56.37 1hky s ARG 80 Cb 0.09 -1.84 0.20 0.00 -1.56 0.00 0.00 34.95 31.85 1hky s ARG 80 CO 0.78 -2.06 0.77 0.00 -0.81 0.00 0.00 175.30 173.99 1hky s ILE 82 N 0.83 5.21 0.00 0.00 -4.36 -1.26 -4.99 121.20 116.63 1hky s ILE 82 Ca 0.30 -0.20 0.02 0.00 -0.26 0.00 0.00 60.65 60.52 1hky s ILE 82 Cb 0.06 -3.40 0.03 0.00 1.25 0.00 0.00 42.46 40.40 1hky s ILE 82 CO -0.10 0.37 0.83 -0.11 0.24 0.00 0.00 174.94 176.16 1hky n LEU 83 N 1.14 0.02 -4.81 0.37 0.00 -1.26 -5.09 117.00 107.37 1hky n LEU 83 Ca -0.13 -1.14 -0.35 0.00 0.00 0.00 0.00 56.01 54.40 1hky n LEU 83 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.88 1hky n LEU 83 CO 0.41 0.62 0.60 -0.76 0.00 0.00 0.00 177.39 178.26 1hky s LEU 84 N 0.00 4.14 0.49 -1.96 1.43 -1.26 -5.05 118.68 116.46 1hky s LEU 84 Ca 0.03 1.68 -0.17 0.00 -1.03 0.00 0.00 54.13 54.63 1hky s LEU 84 Cb 0.03 -4.21 -0.08 0.00 0.03 0.00 0.00 46.19 41.96 1hky s LEU 84 CO -0.01 -0.20 0.96 -1.61 0.23 0.00 0.00 176.35 175.72 1hky s GLU 85 N -2.63 3.99 0.00 1.70 2.02 -1.26 -5.31 118.70 117.21 1hky s GLU 85 Ca 0.55 0.94 0.00 0.00 0.02 0.00 0.00 54.97 56.48 1hky s GLU 85 Cb -0.13 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.93 1hky s GLU 85 CO 0.18 -0.20 0.10 -3.47 0.02 0.00 0.00 175.26 171.89