#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hra s PRO 2 N 0.00 4.51 -0.31 0.03 0.04 -1.26 -4.73 135.00 133.28 1hra s PRO 2 Ca 0.00 1.84 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 1hra s PRO 2 Cb 0.00 -3.25 0.10 0.00 0.04 0.00 0.00 34.50 31.40 1hra s PRO 2 CO 0.00 -0.06 0.13 1.03 0.04 0.00 0.00 177.00 178.14 1hra s ARG 3 N -0.24 0.46 0.00 4.56 0.52 -1.26 -3.76 118.95 119.22 1hra s ARG 3 Ca 0.52 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 1hra s ARG 3 Cb -0.32 -1.53 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1hra s ARG 3 CO 0.36 -1.03 0.00 1.55 0.02 0.00 0.00 175.30 176.20 1hra n VAL 4 N 4.92 0.00 -5.08 3.52 3.14 -1.26 -5.02 118.33 118.56 1hra n VAL 4 Ca -0.02 0.03 -0.31 0.00 -2.96 0.00 0.00 64.34 61.07 1hra n VAL 4 Cb 0.41 -0.38 -0.15 0.00 -1.06 0.00 0.00 33.84 32.67 1hra n VAL 4 CO 0.00 0.00 0.00 -0.72 -6.46 0.00 0.00 176.83 169.65 1hra s TYR 5 N -0.06 2.45 0.02 1.45 1.13 -1.26 -5.08 117.35 116.00 1hra s TYR 5 Ca 0.00 -0.34 -0.12 0.00 -1.41 0.00 0.00 57.07 55.20 1hra s TYR 5 Cb 0.00 -1.52 -0.06 0.00 -1.10 0.00 0.00 41.96 39.28 1hra s TYR 5 CO 0.00 0.07 1.18 0.87 -2.51 0.00 0.00 175.55 175.17 1hra h LYS 6 N 5.26 -0.36 -2.91 -3.49 1.79 -1.86 -1.67 116.57 113.33 1hra h LYS 6 Ca -0.45 0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 57.83 1hra h LYS 6 Cb 1.14 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.85 1hra h LYS 6 CO 0.48 -0.24 1.15 -2.30 -1.08 0.00 0.00 179.45 177.45 1hra n PRO 7 N -3.26 1.48 -0.07 3.15 -0.02 -1.17 -0.04 135.00 135.08 1hra n PRO 7 Ca -0.04 -0.93 -0.17 0.00 -2.02 0.00 0.00 63.50 60.33 1hra n PRO 7 Cb 0.16 -2.06 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 1hra n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hra n PHE 9 N -3.26 0.64 0.00 0.00 7.35 0.93 -3.25 117.46 119.86 1hra n PHE 9 Ca -0.37 -0.29 0.00 0.00 -0.76 0.00 0.00 57.45 56.03 1hra n PHE 9 Cb 1.04 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 40.81 1hra n PHE 9 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1hra n VAL 10 N 0.61 0.00 -3.29 -2.13 0.31 -1.26 -4.72 118.33 107.85 1hra n VAL 10 Ca 0.14 0.00 -0.47 0.00 -0.01 0.00 0.00 64.34 64.00 1hra n VAL 10 Cb 0.41 -0.44 -0.02 0.00 -0.91 0.00 0.00 33.84 32.88 1hra n VAL 10 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hra s GLN 12 N 0.55 3.53 0.00 0.00 2.00 -0.68 -3.58 119.66 121.48 1hra s GLN 12 Ca 0.18 -1.72 0.00 0.00 -2.00 0.00 0.00 55.36 51.82 1hra s GLN 12 Cb -0.12 -4.79 0.00 0.00 0.80 0.00 0.00 33.01 28.91 1hra s GLN 12 CO -0.08 -1.72 0.00 -0.25 -0.50 0.00 0.00 175.29 172.74 1hra n ASP 13 N 6.42 0.00 -4.76 6.67 8.00 0.94 -4.69 116.55 129.13 1hra n ASP 13 Ca 0.19 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.30 1hra n ASP 13 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 1hra n ASP 13 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1hra s LYS 14 N 0.00 4.67 0.17 -1.24 2.47 -1.23 -3.90 119.74 120.67 1hra s LYS 14 Ca 0.00 1.59 0.01 0.00 -1.56 0.00 0.00 55.97 56.01 1hra s LYS 14 Cb 0.00 -3.10 -0.04 0.00 -1.46 0.00 0.00 37.83 33.22 1hra s LYS 14 CO 0.00 0.30 0.03 -1.54 0.16 0.00 0.00 175.35 174.31 1hra s SER 15 N -1.16 0.89 -0.19 1.43 1.04 -1.23 -2.68 113.70 111.79 1hra s SER 15 Ca 0.45 -1.22 -0.33 0.00 0.48 0.00 0.00 55.95 55.33 1hra s SER 15 Cb -0.27 0.19 0.14 0.00 0.10 0.00 0.00 66.02 66.18 1hra s SER 15 CO 0.34 -0.65 1.20 -0.44 0.98 0.00 0.00 173.24 174.67 1hra s SER 16 N -3.15 -0.15 -0.41 7.02 0.01 -0.68 -2.99 113.70 113.35 1hra s SER 16 Ca 0.26 0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.61 1hra s SER 16 Cb 0.07 0.15 0.17 0.00 0.21 0.00 0.00 66.02 66.62 1hra s SER 16 CO 0.05 -0.23 0.37 -0.83 0.41 0.00 0.00 173.24 173.01 1hra s GLY 17 N -1.90 0.79 -0.06 3.44 0.00 -1.26 -3.42 107.32 104.92 1hra s GLY 17 Ca 0.08 -2.06 -0.30 0.00 0.00 0.00 0.00 44.72 42.44 1hra s GLY 17 CO -0.05 2.34 0.78 -0.47 0.00 0.00 0.00 173.10 175.70 1hra s TYR 18 N 0.35 -0.54 0.00 1.90 5.04 -1.26 -5.16 117.35 117.69 1hra s TYR 18 Ca 0.30 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.76 1hra s TYR 18 Cb -0.01 0.45 0.00 0.00 0.35 0.00 0.00 41.96 42.75 1hra s TYR 18 CO -0.15 -0.55 0.00 0.72 -1.34 0.00 0.00 175.55 174.23 1hra n HIS 19 N 0.63 0.00 -3.95 4.97 8.25 -1.26 -4.96 115.22 118.90 1hra n HIS 19 Ca -0.15 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.00 1hra n HIS 19 Cb 0.58 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.54 1hra n HIS 19 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1hra s TYR 20 N 0.00 2.72 0.00 4.41 -0.85 -1.26 -4.94 117.35 117.43 1hra s TYR 20 Ca 0.00 -2.10 0.00 0.00 -0.52 0.00 0.00 57.07 54.45 1hra s TYR 20 Cb 0.00 -1.93 0.00 0.00 0.38 0.00 0.00 41.96 40.41 1hra s TYR 20 CO 0.00 -0.84 0.00 0.41 -1.52 0.00 0.00 175.55 173.60 1hra n GLY 21 N 4.57 1.75 0.00 5.49 0.00 -1.26 -3.17 105.19 112.56 1hra n GLY 21 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1hra n GLY 21 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1hra n VAL 22 N 0.00 0.00 -4.21 1.61 3.14 -1.26 -4.92 118.33 112.68 1hra n VAL 22 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 1hra n VAL 22 Cb 0.00 -0.32 -0.16 0.00 -1.06 0.00 0.00 33.84 32.29 1hra n VAL 22 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1hra s SER 23 N 0.24 3.11 0.18 6.55 0.15 -1.26 -4.86 113.70 117.81 1hra s SER 23 Ca 0.00 -0.64 0.10 0.00 0.70 0.00 0.00 55.95 56.11 1hra s SER 23 Cb 0.00 -1.46 -0.04 0.00 -1.71 0.00 0.00 66.02 62.80 1hra s SER 23 CO 0.00 0.01 -0.21 0.00 1.20 0.00 0.00 173.24 174.25 1hra s ALA 24 N 1.21 2.23 -1.81 5.45 0.00 -1.07 -0.05 121.76 127.73 1hra s ALA 24 Ca 0.03 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1hra s ALA 24 Cb -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1hra s ALA 24 CO -0.11 0.31 0.70 0.00 0.00 0.00 0.00 175.76 176.66 1hra n GLU 26 N -0.38 0.00 -0.07 0.00 -0.00 -1.16 -3.51 120.64 115.51 1hra n GLU 26 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 57.09 1hra n GLU 26 Cb 0.04 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.44 31.35 1hra n GLU 26 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1hra h GLY 27 N 0.00 0.22 1.10 -1.84 0.00 -1.87 -1.95 103.07 98.73 1hra h GLY 27 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 1hra h GLY 27 CO 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 176.54 176.39 1hra h LYS 29 N 0.95 1.11 0.35 0.00 5.09 -1.82 0.14 116.57 122.39 1hra h LYS 29 Ca 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 1hra h LYS 29 Cb 0.63 -0.20 -0.01 0.00 0.10 0.00 0.00 32.23 32.75 1hra h LYS 29 CO 0.04 0.86 -0.22 0.78 -2.09 0.00 0.00 179.45 178.82 1hra h GLY 30 N 1.09 -0.57 0.36 0.07 0.00 -0.96 -2.09 103.07 100.98 1hra h GLY 30 Ca 0.27 0.25 0.20 0.00 0.00 0.00 0.00 47.33 48.05 1hra h GLY 30 CO -0.04 -0.22 0.58 -2.75 0.00 0.00 0.00 176.54 174.11 1hra h PHE 31 N -0.55 0.41 0.10 5.60 3.57 -0.43 0.21 116.94 125.85 1hra h PHE 31 Ca -0.03 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1hra h PHE 31 Cb 0.46 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1hra h PHE 31 CO -0.10 0.11 -0.05 0.35 -2.23 0.00 0.00 178.31 176.39 1hra h PHE 32 N 0.31 -0.12 -0.60 0.41 3.57 -0.03 -0.02 116.94 120.46 1hra h PHE 32 Ca 0.44 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.87 1hra h PHE 32 Cb 1.22 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 1hra h PHE 32 CO -0.00 0.39 0.10 0.07 -2.23 0.00 0.00 178.31 176.64 1hra h ARG 33 N -0.80 0.98 -0.92 1.11 0.11 -1.37 0.18 114.38 113.66 1hra h ARG 33 Ca -0.01 -0.24 0.09 0.00 0.10 0.00 0.00 59.98 59.91 1hra h ARG 33 Cb 0.57 -0.12 -0.07 0.00 1.11 0.00 0.00 29.97 31.46 1hra h ARG 33 CO 0.02 0.90 0.59 -0.09 0.10 0.00 0.00 179.97 181.50 1hra h ARG 34 N 0.92 0.92 0.00 0.08 1.12 -0.55 0.15 114.38 117.02 1hra h ARG 34 Ca 0.19 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 59.00 1hra h ARG 34 Cb 0.40 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 1hra h ARG 34 CO 0.01 0.61 0.00 0.43 -3.11 0.00 0.00 179.97 177.91 1hra n SER 35 N -4.53 0.00 -0.04 -3.80 7.64 -0.06 -3.51 113.62 109.32 1hra n SER 35 Ca 0.16 0.36 -0.09 0.00 1.01 0.00 0.00 58.87 60.31 1hra n SER 35 Cb 0.29 -0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 1hra n SER 35 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1hra h ILE 36 N 0.00 0.94 -0.47 0.44 2.04 -0.19 0.37 117.51 120.63 1hra h ILE 36 Ca 0.00 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1hra h ILE 36 Cb 0.00 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1hra h ILE 36 CO 0.00 0.03 0.13 -0.61 0.00 0.00 0.00 178.15 177.70 1hra h GLN 37 N 0.16 0.70 0.00 2.37 4.15 -0.69 -3.39 115.11 118.41 1hra h GLN 37 Ca 0.09 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1hra h GLN 37 Cb 0.07 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1hra h GLN 37 CO -0.10 0.63 0.00 0.36 -1.93 0.00 0.00 178.83 177.79 1hra n LYS 38 N -4.31 0.00 -3.21 1.69 2.85 -1.02 -4.12 118.16 110.04 1hra n LYS 38 Ca 0.03 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.04 1hra n LYS 38 Cb 0.20 -0.27 -0.06 0.00 -0.65 0.00 0.00 35.03 34.25 1hra n LYS 38 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1hra n ASN 39 N -3.24 2.67 -3.56 -5.58 0.23 0.12 -4.94 115.26 100.96 1hra n ASN 39 Ca 0.00 -3.27 -0.35 0.00 -0.53 0.00 0.00 54.58 50.43 1hra n ASN 39 Cb 0.00 -0.63 -0.02 0.00 -2.08 0.00 0.00 39.78 37.05 1hra n ASN 39 CO 0.00 0.00 0.00 1.15 -0.93 0.00 0.00 177.26 177.48 1hra n MET 40 N 0.61 4.00 -3.72 -3.83 0.00 -0.81 -4.50 117.12 108.87 1hra n MET 40 Ca 0.27 -4.68 -0.35 0.00 0.00 0.00 0.00 57.70 52.95 1hra n MET 40 Cb 0.47 -2.39 -0.09 0.00 0.00 0.00 0.00 33.22 31.22 1hra n MET 40 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1hra s ILE 41 N -3.42 3.79 0.00 3.17 2.07 -1.26 -4.80 121.20 120.74 1hra s ILE 41 Ca 0.39 -3.40 0.00 0.00 -1.41 0.00 0.00 60.65 56.22 1hra s ILE 41 Cb 0.15 -3.43 0.00 0.00 0.13 0.00 0.00 42.46 39.31 1hra s ILE 41 CO -0.03 -0.95 0.00 0.00 -1.91 0.00 0.00 174.94 172.05 1hra n TYR 42 N 2.94 -0.00 0.00 3.50 0.18 -1.26 -5.01 117.16 117.51 1hra n TYR 42 Ca 0.13 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.91 1hra n TYR 42 Cb 0.37 0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.38 1hra n TYR 42 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1hra n THR 43 N -2.51 0.00 -0.10 -3.48 -1.04 -1.26 -3.25 114.28 102.63 1hra n THR 43 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 1hra n THR 43 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1hra n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hra s HIS 45 N -2.40 2.06 0.00 0.00 2.46 -1.20 -1.95 115.29 114.25 1hra s HIS 45 Ca -0.29 -1.96 0.00 0.00 0.47 0.00 0.00 55.06 53.28 1hra s HIS 45 Cb 0.11 -1.92 0.00 0.00 -0.13 0.00 0.00 32.58 30.64 1hra s HIS 45 CO 0.37 -0.89 0.00 0.54 -2.47 0.00 0.00 174.74 172.29 1hra n ARG 46 N 4.74 0.00 -4.07 2.88 1.74 -1.26 -4.91 116.66 115.78 1hra n ARG 46 Ca -0.01 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.85 1hra n ARG 46 Cb 0.42 -0.34 -0.06 0.00 -1.02 0.00 0.00 32.46 31.46 1hra n ARG 46 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1hra n ASP 47 N -2.22 1.26 -0.44 0.55 5.68 -1.26 -5.06 116.55 115.05 1hra n ASP 47 Ca 0.00 -2.86 0.14 0.00 -0.50 0.00 0.00 54.79 51.57 1hra n ASP 47 Cb 0.00 0.87 0.54 0.00 -1.14 0.00 0.00 41.12 41.39 1hra n ASP 47 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1hra n LYS 48 N -0.80 1.58 -0.78 0.11 2.85 -1.26 -2.87 118.16 117.00 1hra n LYS 48 Ca -0.05 -0.88 -0.03 0.00 -1.05 0.00 0.00 58.31 56.29 1hra n LYS 48 Cb 0.53 -1.48 0.20 0.00 -0.65 0.00 0.00 35.03 33.63 1hra n LYS 48 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1hra n ASN 49 N 0.06 2.31 -4.68 -5.58 6.94 -1.26 -4.84 115.26 108.22 1hra n ASN 49 Ca 0.19 -3.82 -0.42 0.00 -0.02 0.00 0.00 54.58 50.50 1hra n ASN 49 Cb 0.34 -0.62 -0.03 0.00 -2.36 0.00 0.00 39.78 37.11 1hra n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hra s VAL 51 N 2.89 3.44 -0.24 0.00 1.01 0.29 -4.57 120.40 123.21 1hra s VAL 51 Ca 0.62 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1hra s VAL 51 Cb -0.28 -2.41 0.12 0.00 0.00 0.00 0.00 36.38 33.80 1hra s VAL 51 CO 0.23 0.57 0.30 0.27 0.00 0.00 0.00 175.10 176.47 1hra s ILE 52 N -0.37 -0.45 0.00 2.22 -0.00 -1.26 -1.16 121.20 120.18 1hra s ILE 52 Ca 0.05 -0.19 0.00 0.00 -0.00 0.00 0.00 60.65 60.50 1hra s ILE 52 Cb -0.12 -0.81 0.00 0.00 -0.00 0.00 0.00 42.46 41.53 1hra s ILE 52 CO 0.02 -0.24 0.00 -0.46 -0.00 0.00 0.00 174.94 174.26 1hra n ASN 53 N 5.33 0.00 -3.17 4.36 6.94 -1.25 -4.59 115.26 122.89 1hra n ASN 53 Ca -0.04 0.00 -0.19 0.00 -0.02 0.00 0.00 54.58 54.33 1hra n ASN 53 Cb 0.49 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.88 1hra n ASN 53 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1hra n LYS 54 N 0.00 1.19 0.00 -3.83 2.85 -1.25 -1.68 118.16 115.44 1hra n LYS 54 Ca 0.00 -3.52 0.03 0.00 -1.05 0.00 0.00 58.31 53.77 1hra n LYS 54 Cb 0.00 -1.73 -0.02 0.00 -0.65 0.00 0.00 35.03 32.64 1hra n LYS 54 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1hra n VAL 55 N 0.32 0.00 -1.95 0.58 0.31 -1.26 -4.39 118.33 111.94 1hra n VAL 55 Ca 0.25 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1hra n VAL 55 Cb 0.62 1.05 0.00 0.00 -0.91 0.00 0.00 33.84 34.60 1hra n VAL 55 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1hra n THR 56 N -0.67 0.00 -2.47 2.52 -2.24 -1.26 -5.11 114.28 105.05 1hra n THR 56 Ca 0.02 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1hra n THR 56 Cb 0.13 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1hra n THR 56 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1hra n ARG 57 N 0.00 -2.75 -3.87 -0.78 1.85 -0.31 -4.95 116.66 105.86 1hra n ARG 57 Ca 0.00 2.30 -0.29 0.00 -1.00 0.00 0.00 57.85 58.86 1hra n ARG 57 Cb 0.00 -4.51 0.03 0.00 -1.05 0.00 0.00 32.46 26.94 1hra n ARG 57 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1hra n ASN 58 N 0.51 -5.06 -4.34 2.89 4.13 -1.26 -5.05 115.26 107.08 1hra n ASN 58 Ca 0.01 -0.74 -0.29 0.00 1.68 0.00 0.00 54.58 55.23 1hra n ASN 58 Cb 0.02 -4.07 -0.14 0.00 -1.54 0.00 0.00 39.78 34.05 1hra n ASN 58 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hra s ARG 59 N -6.57 1.59 0.00 3.52 1.70 -1.26 -0.55 118.95 117.37 1hra s ARG 59 Ca 0.65 -1.17 0.00 0.00 -0.47 0.00 0.00 55.73 54.74 1hra s ARG 59 Cb -0.32 -1.86 0.00 0.00 -0.57 0.00 0.00 34.95 32.20 1hra s ARG 59 CO 0.81 0.47 0.00 0.00 -1.08 0.00 0.00 175.30 175.50 1hra n GLN 61 N 0.00 0.00 -0.26 0.00 6.02 -1.26 -4.52 117.38 117.36 1hra n GLN 61 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1hra n GLN 61 Cb 0.00 -0.13 0.19 0.00 1.02 0.00 0.00 30.24 31.32 1hra n GLN 61 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1hra h TYR 62 N 0.00 0.60 -0.58 1.08 5.03 -1.77 0.18 116.97 121.52 1hra h TYR 62 Ca 0.00 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.40 1hra h TYR 62 Cb 0.00 -0.15 -0.07 0.00 1.55 0.00 0.00 36.73 38.06 1hra h TYR 62 CO 0.00 0.13 -0.37 0.00 -1.32 0.00 0.00 178.16 176.60 1hra h ARG 64 N -0.04 0.00 -0.45 0.00 0.11 -1.34 0.23 114.38 112.90 1hra h ARG 64 Ca 0.09 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.24 1hra h ARG 64 Cb 0.28 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.30 1hra h ARG 64 CO -0.56 0.06 0.12 -0.07 0.10 0.00 0.00 179.97 179.62 1hra h LEU 65 N 0.00 0.09 0.05 0.08 -0.00 -0.02 -0.06 115.31 115.45 1hra h LEU 65 Ca -0.01 0.06 -0.30 0.00 -0.00 0.00 0.00 57.88 57.64 1hra h LEU 65 Cb 1.07 0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 41.77 1hra h LEU 65 CO 0.01 0.08 -1.61 1.56 -0.00 0.00 0.00 178.44 178.48 1hra h GLN 66 N 0.27 0.11 -0.30 1.13 7.50 -0.32 0.61 115.11 124.12 1hra h GLN 66 Ca 0.22 -0.19 -0.02 0.00 0.50 0.00 0.00 58.65 59.16 1hra h GLN 66 Cb 0.25 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 1hra h GLN 66 CO -0.25 0.84 0.10 0.87 -1.50 0.00 0.00 178.83 178.89 1hra h LYS 67 N 0.03 0.46 -0.36 1.46 1.57 -0.61 -0.79 116.57 118.33 1hra h LYS 67 Ca -0.26 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.33 1hra h LYS 67 Cb 1.99 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 34.21 1hra h LYS 67 CO 0.11 0.50 -0.18 0.00 -0.57 0.00 0.00 179.45 179.31 1hra h PHE 69 N 0.61 0.00 -0.42 0.00 0.04 0.34 -0.70 116.94 116.81 1hra h PHE 69 Ca 0.10 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.99 1hra h PHE 69 Cb 0.64 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 1hra h PHE 69 CO 0.03 0.00 0.50 0.93 -0.60 0.00 0.00 178.31 179.17 1hra h GLU 70 N 0.00 0.00 -1.89 1.51 5.08 -0.81 0.21 114.58 118.68 1hra h GLU 70 Ca 0.11 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.87 1hra h GLU 70 Cb 0.55 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.39 1hra h GLU 70 CO -0.00 0.00 -0.58 0.28 -1.00 0.00 0.00 179.01 177.71 1hra n VAL 71 N -3.59 2.83 0.00 3.13 0.31 -0.27 -5.03 118.33 115.71 1hra n VAL 71 Ca 0.08 -5.23 0.00 0.00 -0.01 0.00 0.00 64.34 59.18 1hra n VAL 71 Cb 0.67 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1hra n VAL 71 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hra n GLY 72 N -0.37 0.00 3.83 2.92 0.00 0.06 -4.43 105.19 107.20 1hra n GLY 72 Ca 0.36 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 1hra n GLY 72 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hra s MET 73 N 0.00 4.07 -0.83 1.61 -1.94 -1.26 -4.56 119.30 116.38 1hra s MET 73 Ca 0.00 1.08 0.02 0.00 -1.71 0.00 0.00 55.69 55.08 1hra s MET 73 Cb 0.00 -2.15 0.32 0.00 2.01 0.00 0.00 34.83 35.00 1hra s MET 73 CO 0.00 -0.17 1.36 0.45 -0.01 0.00 0.00 175.02 176.65 1hra n SER 74 N -1.04 5.84 -4.31 3.03 2.88 -1.19 -3.83 113.62 115.00 1hra n SER 74 Ca 0.07 -3.63 -0.46 0.00 -1.33 0.00 0.00 58.87 53.52 1hra n SER 74 Cb 0.54 -0.91 -0.05 0.00 -0.75 0.00 0.00 64.21 63.04 1hra n SER 74 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1hra s LYS 75 N -3.64 3.08 0.00 -1.46 -0.14 -1.26 -4.92 119.74 111.40 1hra s LYS 75 Ca 0.42 -1.86 0.00 0.00 -1.36 0.00 0.00 55.97 53.16 1hra s LYS 75 Cb 0.20 -4.30 0.00 0.00 -1.68 0.00 0.00 37.83 32.05 1hra s LYS 75 CO -0.09 -1.31 0.00 -1.91 -0.76 0.00 0.00 175.35 171.28 1hra n GLU 76 N 4.98 0.00 -3.66 1.68 4.07 -1.25 -4.75 120.64 121.71 1hra n GLU 76 Ca -0.08 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.66 1hra n GLU 76 Cb 0.41 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.72 1hra n GLU 76 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1hra s SER 77 N -0.12 5.90 -0.14 4.31 0.15 -1.26 -5.04 113.70 117.50 1hra s SER 77 Ca 0.00 -3.76 -0.01 0.00 0.70 0.00 0.00 55.95 52.88 1hra s SER 77 Cb 0.00 -1.88 -0.02 0.00 -1.71 0.00 0.00 66.02 62.41 1hra s SER 77 CO 0.00 -0.17 -0.09 0.54 1.20 0.00 0.00 173.24 174.72 1hra s VAL 78 N -1.39 3.37 -0.72 4.45 0.11 -1.26 -1.38 120.40 123.58 1hra s VAL 78 Ca 0.27 -0.55 -0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1hra s VAL 78 Cb -0.07 -2.44 0.18 0.00 -1.53 0.00 0.00 36.38 32.52 1hra s VAL 78 CO -0.13 0.51 0.55 -0.60 -3.33 0.00 0.00 175.10 172.10 1hra s ARG 79 N 0.34 2.73 0.00 1.54 3.52 -1.26 -3.25 118.95 122.57 1hra s ARG 79 Ca -0.08 -2.95 0.00 0.00 -0.13 0.00 0.00 55.73 52.56 1hra s ARG 79 Cb -0.15 -3.71 0.00 0.00 -1.56 0.00 0.00 34.95 29.53 1hra s ARG 79 CO 0.05 -1.22 0.29 0.27 -0.81 0.00 0.00 175.30 173.88