#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 -2.13 -4.46 -0.67 0.18 -1.26 -5.15 117.16 103.67 1hky n TYR 2 Ca 0.00 -1.95 0.00 0.00 1.88 0.00 0.00 57.90 57.83 1hky n TYR 2 Cb 0.00 0.83 0.00 0.00 -0.38 0.00 0.00 39.34 39.79 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 -0.54 0.00 0.00 -3.48 5.02 -1.26 -4.95 118.16 112.96 1hky n LYS 3 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1hky n LYS 3 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 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 -3.11 0.00 -0.42 4.39 2.03 -1.26 -5.16 116.55 113.02 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 -1.08 0.00 0.00 1.67 -0.08 -1.26 -5.13 116.55 110.66 1hky n ASP 5 Ca 0.00 -0.42 0.00 0.00 -1.51 0.00 0.00 54.79 52.86 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 -1.21 0.00 -4.26 1.67 -0.08 -1.26 -4.98 116.55 106.43 1hky n ASP 6 Ca 0.00 0.01 -0.33 0.00 -1.51 0.00 0.00 54.79 52.96 1hky n ASP 6 Cb 0.00 -0.01 -0.16 0.00 2.34 0.00 0.00 41.12 43.29 1hky n ASP 6 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1hky s ASP 7 N -1.07 3.48 0.84 1.67 -1.08 -1.26 -5.05 116.67 114.20 1hky s ASP 7 Ca 0.00 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 51.55 1hky s ASP 7 Cb 0.00 -1.51 0.00 0.00 -1.46 0.00 0.00 42.92 39.95 1hky s ASP 7 CO 0.00 0.13 0.00 0.29 0.52 0.00 0.00 175.17 176.11 1hky n LYS 8 N 3.76 0.00 -0.77 4.34 4.76 -1.26 -4.07 118.16 124.91 1hky n LYS 8 Ca -0.19 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.22 1hky n LYS 8 Cb 0.52 0.00 0.21 0.00 -1.84 0.00 0.00 35.03 33.93 1hky n LYS 8 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1hky n VAL 9 N -0.93 2.57 -2.46 -0.18 0.24 -1.26 -4.81 118.33 111.50 1hky n VAL 9 Ca 0.00 -2.46 -0.31 0.00 -2.04 0.00 0.00 64.34 59.53 1hky n VAL 9 Cb 0.00 -0.32 -0.02 0.00 -1.47 0.00 0.00 33.84 32.03 1hky n VAL 9 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1hky s LYS 10 N -3.16 3.77 0.00 7.34 1.02 -1.26 -4.94 119.74 122.52 1hky s LYS 10 Ca 0.45 0.67 0.00 0.00 0.02 0.00 0.00 55.97 57.11 1hky s LYS 10 Cb 0.40 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 1hky s LYS 10 CO 0.03 -0.25 0.00 1.47 -0.92 0.00 0.00 175.35 175.68 1hky n LEU 11 N -1.82 0.00 -4.77 3.17 -0.00 -1.26 -4.99 117.00 107.33 1hky n LEU 11 Ca 0.04 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.66 1hky n LEU 11 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.94 1hky n LEU 11 CO 0.50 0.00 0.90 0.42 -0.00 0.00 0.00 177.39 179.21 1hky s THR 12 N -1.00 2.96 -2.77 1.47 -4.23 -1.26 -4.94 115.64 105.88 1hky s THR 12 Ca 0.00 0.87 0.24 0.00 -1.18 0.00 0.00 61.69 61.62 1hky s THR 12 Cb 0.00 -3.52 0.16 0.00 1.34 0.00 0.00 72.50 70.48 1hky s THR 12 CO 0.00 0.14 1.24 0.00 -0.54 0.00 0.00 174.62 175.46 1hky s TYR 14 N -2.11 3.40 0.00 0.00 6.14 -1.26 -4.38 117.35 119.14 1hky s TYR 14 Ca 0.26 0.31 0.00 0.00 0.64 0.00 0.00 57.07 58.28 1hky s TYR 14 Cb 0.20 -2.12 0.00 0.00 0.42 0.00 0.00 41.96 40.45 1hky s TYR 14 CO 0.36 0.32 0.00 1.04 0.64 0.00 0.00 175.55 177.91 1hky n GLN 15 N 3.35 0.00 0.00 4.97 6.02 -0.76 -4.81 117.38 126.15 1hky n GLN 15 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1hky n GLN 15 Cb 0.52 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.61 1hky n GLN 15 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1hky n ASN 16 N 0.39 0.00 0.00 1.08 2.85 -1.25 -1.79 115.26 116.54 1hky n ASN 16 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1hky n ASN 16 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1hky n ASN 16 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1hky n GLY 17 N 0.00 0.93 3.24 8.20 0.00 -1.21 -5.00 105.19 111.35 1hky n GLY 17 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1hky n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hky s VAL 18 N 0.00 1.54 1.21 1.61 1.01 -1.26 -3.38 120.40 121.14 1hky s VAL 18 Ca 0.00 -1.31 -0.20 0.00 0.00 0.00 0.00 61.98 60.47 1hky s VAL 18 Cb 0.00 -1.39 0.30 0.00 0.00 0.00 0.00 36.38 35.30 1hky s VAL 18 CO 0.00 0.03 1.01 -1.54 0.00 0.00 0.00 175.10 174.61 1hky n SER 19 N 1.52 -2.33 -4.26 3.32 3.41 -1.26 -4.68 113.62 109.33 1hky n SER 19 Ca -0.19 -1.10 -0.25 0.00 -0.26 0.00 0.00 58.87 57.07 1hky n SER 19 Cb 0.54 -0.96 -0.14 0.00 -0.26 0.00 0.00 64.21 63.39 1hky n SER 19 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1hky s PHE 20 N -2.78 1.82 0.25 7.33 0.08 -1.26 -3.85 117.98 119.58 1hky s PHE 20 Ca 0.67 -0.38 -0.03 0.00 0.12 0.00 0.00 56.93 57.31 1hky s PHE 20 Cb -0.07 -1.08 -0.02 0.00 -0.57 0.00 0.00 43.02 41.28 1hky s PHE 20 CO 0.52 0.10 0.30 0.95 -0.10 0.00 0.00 175.22 176.99 1hky s THR 21 N -0.83 0.00 0.00 0.64 -4.23 -0.13 -4.89 115.64 106.20 1hky s THR 21 Ca 0.07 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1hky s THR 21 Cb -0.09 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1hky s THR 21 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1hky n GLY 22 N -0.39 2.11 2.89 3.99 0.00 -1.26 -1.26 105.19 111.26 1hky n GLY 22 Ca 0.02 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1hky n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hky n GLY 23 N 0.00 -2.47 2.99 -0.02 0.00 -1.03 -4.71 105.19 99.95 1hky n GLY 23 Ca 0.00 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 1hky n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hky s LYS 24 N -5.08 2.43 -0.37 1.61 -0.14 -1.26 -4.96 119.74 111.98 1hky s LYS 24 Ca 0.58 -2.91 -0.27 0.00 -1.36 0.00 0.00 55.97 52.01 1hky s LYS 24 Cb -0.05 -3.53 -0.05 0.00 -1.68 0.00 0.00 37.83 32.52 1hky s LYS 24 CO 0.44 -1.20 2.19 0.00 -0.76 0.00 0.00 175.35 176.02 1hky s ALA 25 N -0.73 2.30 -0.95 5.17 0.00 -1.26 -4.72 121.76 121.56 1hky s ALA 25 Ca 0.21 0.29 0.13 0.00 0.00 0.00 0.00 51.96 52.58 1hky s ALA 25 Cb -0.16 -4.19 0.55 0.00 0.00 0.00 0.00 23.12 19.32 1hky s ALA 25 CO -0.07 -3.48 1.41 0.44 0.00 0.00 0.00 175.76 174.05 1hky n ILE 26 N 7.74 1.16 -3.64 0.00 -0.00 -1.14 -4.71 119.36 118.77 1hky n ILE 26 Ca 0.30 0.30 -0.08 0.00 -0.00 0.00 0.00 62.75 63.27 1hky n ILE 26 Cb 0.49 -1.10 -0.07 0.00 -0.00 0.00 0.00 39.64 38.96 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 -3.10 -0.33 0.00 7.28 0.15 -1.26 -5.06 113.70 111.38 1hky s SER 27 Ca 0.06 0.62 0.04 0.00 0.70 0.00 0.00 55.95 57.36 1hky s SER 27 Cb 0.08 0.61 -0.01 0.00 -1.71 0.00 0.00 66.02 64.99 1hky s SER 27 CO 0.23 -0.13 -0.12 -1.61 1.20 0.00 0.00 173.24 172.80 1hky s GLU 28 N 0.03 0.97 -0.40 5.44 2.02 -1.26 -1.17 118.70 124.32 1hky s GLU 28 Ca 0.04 -0.50 0.04 0.00 0.02 0.00 0.00 54.97 54.57 1hky s GLU 28 Cb -0.04 -0.94 0.11 0.00 0.10 0.00 0.00 34.13 33.35 1hky s GLU 28 CO -0.08 0.25 0.12 0.00 0.02 0.00 0.00 175.26 175.57 1hky s ALA 29 N -0.40 2.99 -0.81 5.21 0.00 -0.05 -4.93 121.76 123.78 1hky s ALA 29 Ca 0.04 -2.76 -0.24 0.00 0.00 0.00 0.00 51.96 49.00 1hky s ALA 29 Cb -0.05 -2.02 -0.16 0.00 0.00 0.00 0.00 23.12 20.89 1hky s ALA 29 CO -0.00 -1.80 2.39 0.36 0.00 0.00 0.00 175.76 176.71 1hky n LYS 30 N 3.89 0.51 -4.15 0.00 0.00 -1.26 -0.69 118.16 116.46 1hky n LYS 30 Ca 0.04 -0.76 -0.14 0.00 -0.00 0.00 0.00 58.31 57.46 1hky n LYS 30 Cb 0.39 -3.44 -0.11 0.00 -0.00 0.00 0.00 35.03 31.87 1hky n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1hky s ALA 31 N 13.42 0.99 -2.70 0.58 0.00 -1.24 -4.90 121.76 127.90 1hky s ALA 31 Ca 0.97 -1.12 0.26 0.00 0.00 0.00 0.00 51.96 52.07 1hky s ALA 31 Cb -0.20 0.04 0.63 0.00 0.00 0.00 0.00 23.12 23.59 1hky s ALA 31 CO 0.13 -0.05 1.51 0.00 0.00 0.00 0.00 175.76 177.35 1hky n ALA 32 N 0.68 2.55 -3.37 0.00 0.00 -1.26 -2.21 120.51 116.90 1hky n ALA 32 Ca -0.17 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 1hky n ALA 32 Cb 0.57 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.02 -0.01 0.47 0.00 0.01 -1.26 -4.86 113.70 106.03 1hky s SER 33 Ca 0.33 0.10 0.16 0.00 1.31 0.00 0.00 55.95 57.85 1hky s SER 33 Cb 0.20 0.04 1.15 0.00 0.21 0.00 0.00 66.02 67.62 1hky s SER 33 CO 0.33 -0.08 2.03 0.28 0.41 0.00 0.00 173.24 176.21 1hky h SER 34 N 6.74 0.21 -0.76 2.44 0.02 -1.91 -1.81 113.55 118.48 1hky h SER 34 Ca -0.36 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 60.72 1hky h SER 34 Cb 1.16 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 63.58 1hky h SER 34 CO 0.47 0.13 0.35 -0.61 -1.14 0.00 0.00 176.83 176.04 1hky h GLN 35 N 0.24 0.53 -0.08 3.45 5.75 -1.99 0.21 115.11 123.22 1hky h GLN 35 Ca 0.20 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.61 1hky h GLN 35 Cb 0.48 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1hky h GLN 35 CO -0.04 0.35 -0.23 0.00 -2.65 0.00 0.00 178.83 176.27 1hky h ALA 36 N 1.50 1.48 0.00 3.38 0.00 -1.76 -1.57 119.26 122.29 1hky h ALA 36 Ca 0.40 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1hky h ALA 36 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1hky h ALA 36 CO -0.34 0.38 -0.29 0.00 0.00 0.00 0.00 179.25 179.00 1hky h GLN 38 N 0.00 0.34 -0.31 0.00 1.08 0.08 -1.19 115.11 115.11 1hky h GLN 38 Ca -0.00 -0.23 -0.12 0.00 -1.45 0.00 0.00 58.65 56.84 1hky h GLN 38 Cb 0.98 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1hky h GLN 38 CO 0.04 0.84 -0.31 0.93 -0.95 0.00 0.00 178.83 179.38 1hky h GLU 39 N -0.12 0.65 0.51 1.46 5.08 -1.47 -1.54 114.58 119.15 1hky h GLU 39 Ca -0.00 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1hky h GLU 39 Cb 0.85 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1hky h GLU 39 CO 0.05 0.88 -0.24 1.25 -1.00 0.00 0.00 179.01 179.95 1hky h LEU 40 N 0.55 -0.57 -2.49 1.33 7.12 -1.42 -2.69 115.31 117.13 1hky h LEU 40 Ca 0.06 -0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1hky h LEU 40 Cb 0.81 0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 41.09 1hky h LEU 40 CO 0.07 -0.23 0.01 0.00 -0.13 0.00 0.00 178.44 178.15 1hky h GLU 42 N 0.00 0.53 0.00 0.00 4.81 -1.05 -2.28 114.58 116.59 1hky h GLU 42 Ca 0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1hky h GLU 42 Cb 0.02 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1hky h GLU 42 CO -0.00 0.78 0.00 0.36 -0.73 0.00 0.00 179.01 179.42 1hky n LYS 43 N -4.08 0.13 -3.41 1.92 -0.00 -0.35 -4.77 118.16 107.60 1hky n LYS 43 Ca -0.01 0.27 -0.21 0.00 -0.00 0.00 0.00 58.31 58.36 1hky n LYS 43 Cb 0.45 -1.71 -0.00 0.00 -0.00 0.00 0.00 35.03 33.77 1hky n LYS 43 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1hky s ASP 44 N -3.80 6.02 0.00 -5.58 -1.08 -0.86 -5.03 116.67 106.34 1hky s ASP 44 Ca 0.08 0.04 0.01 0.00 -0.52 0.00 0.00 52.55 52.16 1hky s ASP 44 Cb 0.11 -1.48 -0.00 0.00 -1.46 0.00 0.00 42.92 40.09 1hky s ASP 44 CO 0.42 -0.44 0.31 0.00 0.52 0.00 0.00 175.17 175.98 1hky n ALA 45 N -1.74 2.33 -0.09 3.66 0.00 -1.26 -4.56 120.51 118.84 1hky n ALA 45 Ca -0.02 -0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.24 1hky n ALA 45 Cb 0.58 -0.04 0.23 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.44 2.57 -3.48 0.00 5.02 -1.26 -4.94 118.16 115.62 1hky n LYS 46 Ca 0.00 -2.31 -0.37 0.00 -2.02 0.00 0.00 58.31 53.62 1hky n LYS 46 Cb 0.02 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.52 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 3.39 0.00 -3.66 0.00 0.63 -1.18 -4.95 116.66 110.89 1hky n ARG 48 Ca -0.11 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.53 1hky n ARG 48 Cb 0.52 -0.60 -0.13 0.00 0.45 0.00 0.00 32.46 32.70 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 -1.42 1.66 0.76 -0.14 0.08 -0.46 -4.62 117.98 113.85 1hky s PHE 49 Ca 0.00 -2.15 -0.11 0.00 0.12 0.00 0.00 56.93 54.78 1hky s PHE 49 Cb 0.00 -1.65 0.05 0.00 -0.57 0.00 0.00 43.02 40.85 1hky s PHE 49 CO 0.00 -0.81 1.08 -0.59 -0.10 0.00 0.00 175.22 174.81 1hky s PHE 50 N 0.68 2.86 -0.29 0.36 -0.71 -1.24 -1.80 117.98 117.83 1hky s PHE 50 Ca 0.17 1.33 0.04 0.00 -1.04 0.00 0.00 56.93 57.42 1hky s PHE 50 Cb -0.23 -3.02 0.19 0.00 -1.21 0.00 0.00 43.02 38.75 1hky s PHE 50 CO -0.03 -1.62 0.53 0.99 -1.34 0.00 0.00 175.22 173.75 1hky s THR 51 N -3.05 -0.88 0.47 -4.49 2.01 0.19 -2.49 115.64 107.40 1hky s THR 51 Ca 0.60 -0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.45 1hky s THR 51 Cb -0.15 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 1hky s THR 51 CO 0.55 -0.09 0.78 -0.22 -0.69 0.00 0.00 174.62 174.95 1hky s LEU 52 N 2.74 3.66 0.00 4.42 2.96 0.15 -0.77 118.68 131.84 1hky s LEU 52 Ca 0.11 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.97 1hky s LEU 52 Cb -0.11 -3.89 0.00 0.00 0.50 0.00 0.00 46.19 42.69 1hky s LEU 52 CO -0.27 -0.55 0.00 0.00 -1.32 0.00 0.00 176.35 174.21 1hky n ALA 53 N -2.12 0.00 0.34 5.97 0.00 0.72 -0.56 120.51 124.86 1hky n ALA 53 Ca 0.01 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.65 1hky n ALA 53 Cb 0.55 0.00 1.09 0.00 0.00 0.00 0.00 19.45 21.09 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 -3.34 113.55 109.16 1hky h SER 54 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1hky h SER 54 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1hky h SER 54 CO 0.00 0.00 -0.04 0.61 -0.53 0.00 0.00 176.83 176.87 1hky n GLY 55 N -1.13 -0.48 3.59 5.77 0.00 -1.26 -4.82 105.19 106.87 1hky n GLY 55 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 0.52 0.25 1.61 2.20 -0.94 -3.67 119.74 119.72 1hky s LYS 56 Ca 0.01 1.27 -0.06 0.00 -0.36 0.00 0.00 55.97 56.82 1hky s LYS 56 Cb 0.03 0.73 -0.06 0.00 -1.51 0.00 0.00 37.83 37.02 1hky s LYS 56 CO -0.01 -0.17 0.53 0.00 -0.36 0.00 0.00 175.35 175.33 1hky s SER 58 N -2.83 0.02 0.12 0.00 0.01 0.05 -0.87 113.70 110.20 1hky s SER 58 Ca 0.44 0.67 -0.05 0.00 1.31 0.00 0.00 55.95 58.32 1hky s SER 58 Cb -0.11 1.17 -0.05 0.00 0.21 0.00 0.00 66.02 67.24 1hky s SER 58 CO 0.27 -0.26 0.36 -1.48 0.41 0.00 0.00 173.24 172.54 1hky s LEU 59 N 2.56 4.29 -0.06 2.44 2.34 -0.32 0.57 118.68 130.51 1hky s LEU 59 Ca 0.04 0.59 -0.00 0.00 0.06 0.00 0.00 54.13 54.82 1hky s LEU 59 Cb -0.13 -3.20 0.03 0.00 -0.56 0.00 0.00 46.19 42.32 1hky s LEU 59 CO -0.13 0.09 -0.02 -0.36 -1.06 0.00 0.00 176.35 174.87 1hky s PHE 60 N -1.59 0.69 0.00 3.48 0.08 -0.75 -2.89 117.98 117.01 1hky s PHE 60 Ca 0.39 -0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.25 1hky s PHE 60 Cb -0.12 -0.71 0.00 0.00 -0.57 0.00 0.00 43.02 41.61 1hky s PHE 60 CO 0.23 -0.25 0.00 0.00 -0.10 0.00 0.00 175.22 175.10 1hky n ALA 61 N 4.56 0.00 -1.64 5.36 0.00 -1.21 -1.35 120.51 126.24 1hky n ALA 61 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.01 1hky n ALA 61 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.57 4.32 0.02 0.00 -1.08 -1.26 -4.69 116.67 112.41 1hky s ASP 62 Ca 0.00 0.46 -0.01 0.00 -0.52 0.00 0.00 52.55 52.48 1hky s ASP 62 Cb 0.00 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1hky s ASP 62 CO 0.00 -3.26 0.05 -0.67 0.52 0.00 0.00 175.17 171.81 1hky n ASP 63 N 16.71 -0.13 -0.17 -0.34 -0.08 -1.26 -5.07 116.55 126.21 1hky n ASP 63 Ca 0.40 -1.11 0.00 0.00 -1.51 0.00 0.00 54.79 52.57 1hky n ASP 63 Cb 0.49 0.22 0.00 0.00 2.34 0.00 0.00 41.12 44.18 1hky n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hky n ALA 64 N -2.85 1.01 1.20 -1.67 0.00 -1.26 -4.94 120.51 112.00 1hky n ALA 64 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.46 1hky n ALA 64 Cb 0.04 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.57 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 0.00 2.57 -2.81 0.00 0.00 -1.26 -4.83 120.51 114.18 1hky n ALA 65 Ca 0.00 -0.35 -0.36 0.00 0.00 0.00 0.00 53.44 52.73 1hky n ALA 65 Cb 0.33 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.91 4.10 0.12 0.00 2.34 -1.26 -2.48 118.68 120.60 1hky s LEU 66 Ca 0.12 0.34 -0.04 0.00 0.06 0.00 0.00 54.13 54.61 1hky s LEU 66 Cb 0.07 -1.99 -0.03 0.00 -0.56 0.00 0.00 46.19 43.69 1hky s LEU 66 CO 0.07 0.38 0.12 -0.13 -1.06 0.00 0.00 176.35 175.73 1hky s ARG 67 N -0.87 0.93 0.97 1.48 0.52 -0.39 -4.90 118.95 116.68 1hky s ARG 67 Ca 0.14 -1.28 -0.12 0.00 -0.52 0.00 0.00 55.73 53.95 1hky s ARG 67 Cb -0.12 0.28 0.17 0.00 0.52 0.00 0.00 34.95 35.81 1hky s ARG 67 CO 0.03 -0.28 1.09 -1.25 0.02 0.00 0.00 175.30 174.91 1hky s PRO 68 N -3.98 0.64 0.00 3.54 0.04 -1.26 -0.96 135.00 133.01 1hky s PRO 68 Ca 0.17 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1hky s PRO 68 Cb 0.06 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1hky s PRO 68 CO -0.02 -2.64 0.00 -2.37 0.04 0.00 0.00 177.00 172.01 1hky n THR 69 N -4.15 0.00 -3.45 1.26 5.66 -1.25 -4.75 114.28 107.60 1hky n THR 69 Ca 0.06 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.07 1hky n THR 69 Cb 0.56 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.29 1hky n THR 69 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1hky s LYS 70 N -0.12 0.29 0.16 1.09 1.02 -1.26 -5.06 119.74 115.86 1hky s LYS 70 Ca 0.00 0.67 -0.25 0.00 0.02 0.00 0.00 55.97 56.41 1hky s LYS 70 Cb 0.00 0.33 0.06 0.00 -0.52 0.00 0.00 37.83 37.70 1hky s LYS 70 CO 0.00 -0.09 0.93 0.45 -0.92 0.00 0.00 175.35 175.72 1hky s SER 71 N 2.16 -0.20 0.00 2.83 0.15 -1.26 -4.64 113.70 112.74 1hky s SER 71 Ca -0.04 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1hky s SER 71 Cb -0.05 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1hky s SER 71 CO -0.17 -0.94 0.55 -0.67 1.20 0.00 0.00 173.24 173.21 1hky n ASP 72 N -0.46 0.00 0.00 5.45 -0.08 -1.25 -4.70 116.55 115.51 1hky n ASP 72 Ca -0.06 -1.28 0.00 0.00 -1.51 0.00 0.00 54.79 51.94 1hky n ASP 72 Cb 0.61 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 44.01 1hky n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1hky n GLY 73 N 0.00 0.94 3.77 0.27 0.00 -1.25 -5.07 105.19 103.85 1hky n GLY 73 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 2.88 -0.28 4.61 0.00 -1.22 -4.25 121.76 123.50 1hky s ALA 74 Ca 0.00 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 1hky s ALA 74 Cb 0.00 -3.38 0.09 0.00 0.00 0.00 0.00 23.12 19.83 1hky s ALA 74 CO 0.00 -0.70 0.07 0.08 0.00 0.00 0.00 175.76 175.21 1hky s VAL 75 N -1.62 0.80 0.33 0.00 1.01 0.28 -3.29 120.40 117.91 1hky s VAL 75 Ca 0.67 -1.15 0.07 0.00 0.00 0.00 0.00 61.98 61.57 1hky s VAL 75 Cb -0.27 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1hky s VAL 75 CO 0.32 -0.52 0.30 -0.94 0.00 0.00 0.00 175.10 174.26 1hky s SER 76 N 1.68 5.35 -0.06 3.32 1.04 -0.74 -0.68 113.70 123.62 1hky s SER 76 Ca 0.06 -0.46 -0.15 0.00 0.48 0.00 0.00 55.95 55.88 1hky s SER 76 Cb -0.17 -1.02 0.03 0.00 0.10 0.00 0.00 66.02 64.96 1hky s SER 76 CO -0.20 -0.34 0.35 -0.83 0.98 0.00 0.00 173.24 173.21 1hky s GLY 77 N -3.99 -0.22 -0.11 7.32 0.00 -1.04 -1.83 107.32 107.45 1hky s GLY 77 Ca 0.41 0.61 0.17 0.00 0.00 0.00 0.00 44.72 45.90 1hky s GLY 77 CO 0.27 0.41 1.54 0.70 0.00 0.00 0.00 173.10 176.02 1hky n ASN 78 N 1.75 4.37 -2.67 1.64 4.13 -1.26 -3.73 115.26 119.48 1hky n ASN 78 Ca -0.19 -2.51 -0.03 0.00 1.68 0.00 0.00 54.58 53.53 1hky n ASN 78 Cb 0.56 -0.52 -0.03 0.00 -1.54 0.00 0.00 39.78 38.25 1hky n ASN 78 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1hky n LYS 79 N 0.70 -4.05 -2.74 3.52 4.81 -1.26 -4.72 118.16 114.43 1hky n LYS 79 Ca 0.23 3.12 -0.01 0.00 -0.87 0.00 0.00 58.31 60.78 1hky n LYS 79 Cb 0.83 -4.98 -0.00 0.00 0.02 0.00 0.00 35.03 30.90 1hky n LYS 79 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1hky n ARG 80 N 1.38 -3.46 -3.17 1.64 0.63 -1.26 -4.95 116.66 107.47 1hky n ARG 80 Ca -0.25 2.77 -0.34 0.00 -0.92 0.00 0.00 57.85 59.10 1hky n ARG 80 Cb 0.41 -5.12 -0.04 0.00 0.45 0.00 0.00 32.46 28.16 1hky n ARG 80 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hky n ILE 82 N 0.85 1.34 -2.91 0.00 0.13 -1.26 -4.71 119.36 112.81 1hky n ILE 82 Ca 0.30 -0.73 -0.43 0.00 -1.10 0.00 0.00 62.75 60.78 1hky n ILE 82 Cb 0.37 -0.84 -0.03 0.00 -0.84 0.00 0.00 39.64 38.30 1hky n ILE 82 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 1hky s LEU 83 N -5.88 4.71 -0.18 9.51 1.02 -1.26 -4.84 118.68 121.76 1hky s LEU 83 Ca -0.04 -1.39 -0.14 0.00 0.02 0.00 0.00 54.13 52.59 1hky s LEU 83 Cb 0.08 -2.40 -0.08 0.00 0.02 0.00 0.00 46.19 43.81 1hky s LEU 83 CO 0.82 -1.28 -0.14 0.18 0.02 0.00 0.00 176.35 175.94 1hky n LEU 84 N 7.19 1.86 0.00 1.79 4.77 -1.26 -5.06 117.00 126.29 1hky n LEU 84 Ca 0.05 0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 56.40 1hky n LEU 84 Cb 0.46 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 1hky n LEU 84 CO 0.59 -0.15 -0.07 -0.62 -1.33 0.00 0.00 177.39 175.81 1hky n GLU 85 N -4.50 0.47 0.00 3.23 1.02 -1.26 -5.21 120.64 114.38 1hky n GLU 85 Ca -0.19 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 55.03 1hky n GLU 85 Cb 0.48 1.32 0.00 0.00 -0.02 0.00 0.00 31.44 33.21 1hky n GLU 85 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91