#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hra n PRO 2 N 0.00 0.00 -3.67 0.03 -0.02 -1.26 -3.18 135.00 126.90 1hra n PRO 2 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 1hra n PRO 2 Cb 0.00 -0.37 -0.09 0.00 -0.02 0.00 0.00 33.50 33.03 1hra n PRO 2 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1hra s ARG 3 N 0.00 0.61 0.00 -0.52 0.52 -1.26 -3.66 118.95 114.63 1hra s ARG 3 Ca 0.00 0.93 0.00 0.00 -0.52 0.00 0.00 55.73 56.14 1hra s ARG 3 Cb 0.00 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.64 1hra s ARG 3 CO 0.00 -0.12 0.00 1.55 0.02 0.00 0.00 175.30 176.75 1hra n VAL 4 N 3.66 0.00 -4.95 3.52 3.14 -1.26 -5.12 118.33 117.32 1hra n VAL 4 Ca -0.18 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 60.87 1hra n VAL 4 Cb 0.57 -0.50 -0.14 0.00 -1.06 0.00 0.00 33.84 32.71 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 0.00 2.65 0.02 1.45 1.13 -1.26 -5.08 117.35 116.26 1hra s TYR 5 Ca 0.00 -0.25 -0.27 0.00 -1.41 0.00 0.00 57.07 55.13 1hra s TYR 5 Cb 0.00 -1.63 -0.15 0.00 -1.10 0.00 0.00 41.96 39.08 1hra s TYR 5 CO 0.00 0.11 1.19 0.87 -2.51 0.00 0.00 175.55 175.21 1hra h LYS 6 N 5.50 -0.94 -2.24 -3.49 1.79 -1.83 -2.92 116.57 112.43 1hra h LYS 6 Ca -0.44 0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.01 1hra h LYS 6 Cb 1.15 0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.99 1hra h LYS 6 CO 0.50 -0.63 -0.05 -2.30 -1.08 0.00 0.00 179.45 175.89 1hra n PRO 7 N -5.18 1.09 0.07 3.15 -0.02 -1.22 0.76 135.00 133.64 1hra n PRO 7 Ca -0.12 -0.44 -0.19 0.00 -2.02 0.00 0.00 63.50 60.73 1hra n PRO 7 Cb 0.39 -1.62 -0.14 0.00 -0.02 0.00 0.00 33.50 32.10 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 -3.50 0.30 0.00 0.00 7.35 0.48 -2.71 117.46 119.38 1hra n PHE 9 Ca -0.18 -0.15 0.00 0.00 -0.76 0.00 0.00 57.45 56.36 1hra n PHE 9 Cb 1.05 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.88 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 0.34 0.00 -2.13 -2.13 0.31 -1.26 -4.67 118.33 108.80 1hra n VAL 10 Ca 0.14 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.21 1hra n VAL 10 Cb 0.30 -0.69 0.02 0.00 -0.91 0.00 0.00 33.84 32.55 1hra n VAL 10 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hra n GLN 12 N -0.64 1.06 0.00 0.00 -0.06 -1.26 -4.78 117.38 111.71 1hra n GLN 12 Ca 0.44 -1.80 0.00 0.00 -2.00 0.00 0.00 57.00 53.64 1hra n GLN 12 Cb 0.81 -0.48 0.00 0.00 -4.06 0.00 0.00 30.24 26.51 1hra n GLN 12 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1hra n ASP 13 N -0.14 0.00 -4.73 1.69 8.00 0.23 -4.47 116.55 117.13 1hra n ASP 13 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1hra n ASP 13 Cb 0.77 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.84 1hra n ASP 13 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1hra s LYS 14 N 0.00 4.46 0.25 -1.24 3.01 -1.26 -3.88 119.74 121.08 1hra s LYS 14 Ca 0.00 1.87 0.02 0.00 -1.01 0.00 0.00 55.97 56.85 1hra s LYS 14 Cb 0.00 -3.27 -0.05 0.00 -1.01 0.00 0.00 37.83 33.50 1hra s LYS 14 CO 0.00 -0.17 0.05 -1.54 0.51 0.00 0.00 175.35 174.19 1hra s SER 15 N 0.50 1.60 0.00 2.83 1.04 -1.25 -2.14 113.70 116.27 1hra s SER 15 Ca 0.56 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1hra s SER 15 Cb -0.32 0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1hra s SER 15 CO 0.34 -0.62 0.00 -1.20 0.98 0.00 0.00 173.24 172.74 1hra n SER 16 N -0.46 0.00 -2.59 7.02 7.64 -0.04 -4.33 113.62 120.87 1hra n SER 16 Ca -0.03 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.80 1hra n SER 16 Cb 0.65 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.81 1hra n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hra n GLY 17 N -0.81 -5.24 3.56 0.23 0.00 -1.26 -4.66 105.19 97.00 1hra n GLY 17 Ca 0.00 1.62 -0.37 0.00 0.00 0.00 0.00 46.02 47.27 1hra n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hra s TYR 18 N -0.64 2.19 0.00 1.61 1.51 -1.26 -4.93 117.35 115.83 1hra s TYR 18 Ca -0.26 -0.11 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 1hra s TYR 18 Cb 0.02 -4.44 0.00 0.00 -0.11 0.00 0.00 41.96 37.42 1hra s TYR 18 CO 0.69 -1.97 0.00 0.72 -1.11 0.00 0.00 175.55 173.89 1hra n HIS 19 N 10.76 0.00 -3.93 2.71 8.25 -1.26 -4.91 115.22 126.83 1hra n HIS 19 Ca 0.27 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.43 1hra n HIS 19 Cb 0.50 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.46 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 2.92 0.00 4.41 -0.85 -1.26 -4.93 117.35 117.64 1hra s TYR 20 Ca 0.00 -2.37 0.00 0.00 -0.52 0.00 0.00 57.07 54.18 1hra s TYR 20 Cb 0.00 -2.27 0.00 0.00 0.38 0.00 0.00 41.96 40.07 1hra s TYR 20 CO 0.00 -0.89 0.00 0.41 -1.52 0.00 0.00 175.55 173.55 1hra n GLY 21 N 4.50 2.58 0.00 5.49 0.00 -1.26 -3.25 105.19 113.25 1hra n GLY 21 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.45 0.00 -4.07 1.61 3.14 -1.26 -4.84 118.33 112.47 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 -0.24 -0.15 0.00 -1.06 0.00 0.00 33.84 32.38 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 -0.19 3.59 0.20 6.55 0.15 -1.26 -4.85 113.70 117.90 1hra s SER 23 Ca 0.00 -0.74 0.11 0.00 0.70 0.00 0.00 55.95 56.01 1hra s SER 23 Cb 0.00 -1.54 -0.04 0.00 -1.71 0.00 0.00 66.02 62.72 1hra s SER 23 CO 0.00 -0.04 -0.18 0.00 1.20 0.00 0.00 173.24 174.22 1hra s ALA 24 N 1.29 2.72 -1.48 5.45 0.00 -1.00 -0.39 121.76 128.35 1hra s ALA 24 Ca 0.03 -1.62 0.17 0.00 0.00 0.00 0.00 51.96 50.54 1hra s ALA 24 Cb -0.15 -0.47 0.87 0.00 0.00 0.00 0.00 23.12 23.37 1hra s ALA 24 CO -0.10 0.41 1.49 0.00 0.00 0.00 0.00 175.76 177.57 1hra n GLU 26 N -1.26 0.00 -0.16 0.00 -0.58 -1.26 -4.04 120.64 113.34 1hra n GLU 26 Ca 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.80 1hra n GLU 26 Cb 0.13 -0.18 0.07 0.00 -0.57 0.00 0.00 31.44 30.89 1hra n GLU 26 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1hra h GLY 27 N 0.00 0.64 0.83 0.62 0.00 -1.90 -0.50 103.07 102.76 1hra h GLY 27 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1hra h GLY 27 CO 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 176.54 176.47 1hra h LYS 29 N -0.21 1.03 0.36 0.00 5.09 -1.82 0.20 116.57 121.23 1hra h LYS 29 Ca -0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 60.65 60.67 1hra h LYS 29 Cb 0.19 -0.23 -0.02 0.00 0.10 0.00 0.00 32.23 32.27 1hra h LYS 29 CO 0.01 0.68 -0.31 0.78 -2.09 0.00 0.00 179.45 178.52 1hra h GLY 30 N 1.06 -0.73 0.36 0.07 0.00 -0.84 -1.99 103.07 100.99 1hra h GLY 30 Ca 0.32 0.35 0.19 0.00 0.00 0.00 0.00 47.33 48.19 1hra h GLY 30 CO -0.08 -0.28 0.59 -2.75 0.00 0.00 0.00 176.54 174.02 1hra h PHE 31 N -0.68 0.54 0.16 5.60 3.04 -0.01 0.75 116.94 126.34 1hra h PHE 31 Ca -0.03 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1hra h PHE 31 Cb 0.60 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1hra h PHE 31 CO -0.16 0.15 -0.07 0.35 -2.02 0.00 0.00 178.31 176.56 1hra h PHE 32 N 0.42 -0.19 -0.44 0.41 3.57 -0.03 0.04 116.94 120.72 1hra h PHE 32 Ca 0.46 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.91 1hra h PHE 32 Cb 1.12 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1hra h PHE 32 CO -0.00 0.22 0.10 0.07 -2.23 0.00 0.00 178.31 176.46 1hra h ARG 33 N -0.92 0.65 0.08 1.11 0.11 -1.29 0.15 114.38 114.27 1hra h ARG 33 Ca -0.02 -0.12 0.01 0.00 0.10 0.00 0.00 59.98 59.95 1hra h ARG 33 Cb 0.50 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.46 1hra h ARG 33 CO 0.03 0.61 -0.12 -0.09 0.10 0.00 0.00 179.97 180.50 1hra h ARG 34 N 0.64 -0.24 0.18 0.08 2.43 -0.39 0.14 114.38 117.23 1hra h ARG 34 Ca 0.14 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1hra h ARG 34 Cb 0.25 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1hra h ARG 34 CO -0.00 -0.16 -0.09 0.77 -1.51 0.00 0.00 179.97 178.98 1hra h SER 35 N -0.24 -0.21 0.20 -3.80 0.02 -0.96 -1.50 113.55 107.05 1hra h SER 35 Ca 0.02 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1hra h SER 35 Cb 0.26 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1hra h SER 35 CO -0.06 -0.09 -0.09 0.40 -1.14 0.00 0.00 176.83 175.85 1hra h ILE 36 N -0.37 0.85 -0.38 3.27 2.04 -0.59 0.24 117.51 122.57 1hra h ILE 36 Ca -0.03 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 1hra h ILE 36 Cb 0.19 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1hra h ILE 36 CO 0.04 0.04 -0.07 -0.61 0.00 0.00 0.00 178.15 177.56 1hra h GLN 37 N -0.36 0.72 0.00 2.37 4.15 -0.59 -3.40 115.11 118.01 1hra h GLN 37 Ca -0.03 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1hra h GLN 37 Cb 0.27 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.92 1hra h GLN 37 CO 0.04 0.86 -0.83 0.36 -1.93 0.00 0.00 178.83 177.33 1hra n LYS 38 N -4.39 0.00 -1.63 1.69 2.85 -1.16 -3.98 118.16 111.54 1hra n LYS 38 Ca -0.01 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.19 1hra n LYS 38 Cb 0.34 -0.90 0.09 0.00 -0.65 0.00 0.00 35.03 33.90 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 -2.34 2.64 -4.32 -5.58 0.23 0.52 -5.03 115.26 101.38 1hra n ASN 39 Ca 0.00 -3.19 -0.34 0.00 -0.53 0.00 0.00 54.58 50.52 1hra n ASN 39 Cb 0.41 -0.42 -0.14 0.00 -2.08 0.00 0.00 39.78 37.55 1hra n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hra s MET 40 N -2.91 3.36 -0.06 -3.83 0.23 0.54 -4.72 119.30 111.92 1hra s MET 40 Ca 0.40 -0.65 -0.00 0.00 -1.03 0.00 0.00 55.69 54.40 1hra s MET 40 Cb 0.38 -2.86 0.02 0.00 -1.53 0.00 0.00 34.83 30.84 1hra s MET 40 CO -0.04 -0.06 -0.02 -1.50 -2.03 0.00 0.00 175.02 171.36 1hra s ILE 41 N 1.09 0.47 -0.18 3.16 2.07 -1.26 -4.98 121.20 121.58 1hra s ILE 41 Ca 0.01 -0.02 -0.27 0.00 -1.41 0.00 0.00 60.65 58.96 1hra s ILE 41 Cb -0.15 -0.56 0.07 0.00 0.13 0.00 0.00 42.46 41.96 1hra s ILE 41 CO -0.01 0.24 0.70 -0.72 -1.91 0.00 0.00 174.94 173.23 1hra s TYR 42 N 1.39 -0.73 -0.14 3.50 -0.85 -1.26 -4.99 117.35 114.27 1hra s TYR 42 Ca -0.04 1.60 0.14 0.00 -0.52 0.00 0.00 57.07 58.25 1hra s TYR 42 Cb -0.13 0.32 -0.21 0.00 0.38 0.00 0.00 41.96 42.32 1hra s TYR 42 CO -0.03 -0.46 0.36 -2.37 -1.52 0.00 0.00 175.55 171.53 1hra n THR 43 N 2.00 0.00 0.00 -3.49 5.66 -1.26 -5.01 114.28 112.19 1hra n THR 43 Ca -0.16 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 1hra n THR 43 Cb 0.56 0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 1hra n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hra n HIS 45 N 0.12 2.42 0.00 0.00 -0.00 -1.26 -4.52 115.22 111.99 1hra n HIS 45 Ca 0.00 -3.98 0.00 0.00 -0.00 0.00 0.00 57.72 53.74 1hra n HIS 45 Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 29.99 29.50 1hra n HIS 45 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1hra n ARG 46 N 1.07 0.00 -4.24 1.57 1.74 -1.26 -4.73 116.66 110.80 1hra n ARG 46 Ca 0.27 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.22 1hra n ARG 46 Cb 0.44 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.78 1hra n ARG 46 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1hra s ASP 47 N -0.03 0.81 -0.17 0.55 1.47 -1.26 -5.07 116.67 112.97 1hra s ASP 47 Ca 0.00 -1.30 0.06 0.00 1.18 0.00 0.00 52.55 52.49 1hra s ASP 47 Cb 0.00 0.22 0.42 0.00 -0.34 0.00 0.00 42.92 43.22 1hra s ASP 47 CO 0.00 -0.71 1.30 2.29 0.68 0.00 0.00 175.17 178.72 1hra n LYS 48 N -0.30 2.60 -0.11 2.11 2.85 -1.26 -1.62 118.16 122.43 1hra n LYS 48 Ca -0.02 -1.68 0.03 0.00 -1.05 0.00 0.00 58.31 55.59 1hra n LYS 48 Cb 0.65 -1.82 0.09 0.00 -0.65 0.00 0.00 35.03 33.30 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 0.07 2.54 -4.56 -5.58 6.94 -1.26 -4.96 115.26 108.45 1hra n ASN 49 Ca 0.21 -2.12 -0.50 0.00 -0.02 0.00 0.00 54.58 52.16 1hra n ASN 49 Cb 0.90 -0.16 -0.06 0.00 -2.36 0.00 0.00 39.78 38.11 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 6.18 4.70 -0.29 0.00 1.01 0.17 -4.75 120.40 127.43 1hra s VAL 51 Ca 1.03 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.92 1hra s VAL 51 Cb -0.77 -3.16 0.10 0.00 0.00 0.00 0.00 36.38 32.55 1hra s VAL 51 CO 0.50 0.39 0.13 0.27 0.00 0.00 0.00 175.10 176.39 1hra s ILE 52 N 0.95 0.03 0.00 2.22 -0.00 -1.26 -1.04 121.20 122.10 1hra s ILE 52 Ca 0.04 -0.82 0.00 0.00 -0.00 0.00 0.00 60.65 59.87 1hra s ILE 52 Cb -0.14 -1.05 0.00 0.00 -0.00 0.00 0.00 42.46 41.28 1hra s ILE 52 CO 0.03 -0.72 0.00 -0.46 -0.00 0.00 0.00 174.94 173.79 1hra n ASN 53 N 5.21 0.00 -2.66 4.36 6.94 -1.26 -4.66 115.26 123.19 1hra n ASN 53 Ca -0.06 0.00 -0.16 0.00 -0.02 0.00 0.00 54.58 54.34 1hra n ASN 53 Cb 0.42 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.85 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 1.94 0.00 -3.83 2.85 -1.19 -4.21 118.16 113.72 1hra n LYS 54 Ca 0.00 -3.73 0.04 0.00 -1.05 0.00 0.00 58.31 53.57 1hra n LYS 54 Cb 0.00 -1.64 0.01 0.00 -0.65 0.00 0.00 35.03 32.75 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 -0.17 0.00 -1.33 0.58 0.31 -1.21 -1.16 118.33 115.35 1hra n VAL 55 Ca 0.21 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1hra n VAL 55 Cb 0.74 1.12 0.00 0.00 -0.91 0.00 0.00 33.84 34.79 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 0.02 0.00 -2.73 2.52 -2.24 -1.26 -4.88 114.28 105.71 1hra n THR 56 Ca 0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.81 1hra n THR 56 Cb 0.18 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.40 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 -3.53 -3.73 -0.78 0.00 -0.20 -4.97 116.66 103.44 1hra n ARG 57 Ca 0.00 2.81 -0.26 0.00 -0.00 0.00 0.00 57.85 60.40 1hra n ARG 57 Cb 0.00 -5.11 0.05 0.00 -0.00 0.00 0.00 32.46 27.40 1hra n ARG 57 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1hra n ASN 58 N 0.91 -4.53 -4.38 2.89 4.13 -1.26 -5.06 115.26 107.96 1hra n ASN 58 Ca -0.07 -0.69 -0.30 0.00 1.68 0.00 0.00 54.58 55.20 1hra n ASN 58 Cb 0.13 -4.41 -0.14 0.00 -1.54 0.00 0.00 39.78 33.81 1hra n ASN 58 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1hra s ARG 59 N -6.31 1.90 0.35 3.52 6.06 -1.26 -0.65 118.95 122.56 1hra s ARG 59 Ca 0.48 -1.06 -0.15 0.00 -2.50 0.00 0.00 55.73 52.50 1hra s ARG 59 Cb -0.23 -2.05 0.04 0.00 0.06 0.00 0.00 34.95 32.78 1hra s ARG 59 CO 0.78 0.52 0.72 0.00 -2.50 0.00 0.00 175.30 174.83 1hra n GLN 61 N -0.51 0.00 -0.24 0.00 -0.00 -1.26 -4.12 117.38 111.24 1hra n GLN 61 Ca -0.06 0.00 0.05 0.00 -0.00 0.00 0.00 57.00 56.99 1hra n GLN 61 Cb 0.60 -0.18 0.18 0.00 -0.00 0.00 0.00 30.24 30.84 1hra n GLN 61 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 1hra h TYR 62 N 0.00 0.34 -0.62 2.61 5.03 -1.94 0.20 116.97 122.59 1hra h TYR 62 Ca 0.00 0.04 0.08 0.00 2.58 0.00 0.00 58.73 61.43 1hra h TYR 62 Cb 0.00 -0.04 -0.10 0.00 1.55 0.00 0.00 36.73 38.14 1hra h TYR 62 CO 0.00 -0.03 -0.51 0.00 -1.32 0.00 0.00 178.16 176.29 1hra n ARG 64 N -5.36 2.89 0.01 0.00 5.12 -0.70 -1.09 116.66 117.52 1hra n ARG 64 Ca 0.00 -1.78 -0.11 0.00 -1.93 0.00 0.00 57.85 54.03 1hra n ARG 64 Cb 0.33 -1.14 -0.06 0.00 -1.16 0.00 0.00 32.46 30.43 1hra n ARG 64 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1hra h LEU 65 N 1.08 0.09 -0.18 0.55 -0.00 -0.06 -1.72 115.31 115.07 1hra h LEU 65 Ca 0.00 -0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.68 1hra h LEU 65 Cb 0.62 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.23 1hra h LEU 65 CO 0.00 0.07 -0.92 1.56 -0.00 0.00 0.00 178.44 179.15 1hra h GLN 66 N 0.10 0.01 -0.07 1.13 7.50 -0.47 0.69 115.11 124.00 1hra h GLN 66 Ca 0.03 -0.02 -0.24 0.00 0.50 0.00 0.00 58.65 58.92 1hra h GLN 66 Cb -0.01 0.01 0.02 0.00 0.05 0.00 0.00 27.48 27.54 1hra h GLN 66 CO -0.01 0.92 -0.89 -0.22 -1.50 0.00 0.00 178.83 177.14 1hra h LYS 67 N 0.01 0.73 -0.84 1.46 3.64 -1.23 -1.92 116.57 118.42 1hra h LYS 67 Ca -0.01 -0.69 -0.02 0.00 -1.27 0.00 0.00 60.65 58.66 1hra h LYS 67 Cb 1.62 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 33.57 1hra h LYS 67 CO 0.12 1.28 0.46 0.00 -2.27 0.00 0.00 179.45 179.04 1hra h PHE 69 N 1.18 0.00 -0.20 0.00 0.04 0.39 -1.35 116.94 117.00 1hra h PHE 69 Ca 0.30 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.12 1hra h PHE 69 Cb 0.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1hra h PHE 69 CO 0.01 0.00 0.31 0.93 -0.60 0.00 0.00 178.31 178.96 1hra h GLU 70 N 0.00 0.00 -1.69 1.51 5.08 -0.58 -0.03 114.58 118.87 1hra h GLU 70 Ca 0.12 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.86 1hra h GLU 70 Cb 0.74 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.60 1hra h GLU 70 CO -0.00 0.00 -0.40 0.28 -1.00 0.00 0.00 179.01 177.89 1hra n VAL 71 N -3.46 2.72 0.00 3.13 0.31 -0.51 -5.01 118.33 115.51 1hra n VAL 71 Ca 0.02 -4.92 0.00 0.00 -0.01 0.00 0.00 64.34 59.43 1hra n VAL 71 Cb 0.43 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 -0.46 0.00 3.77 2.92 0.00 -0.03 -4.22 105.19 107.18 1hra n GLY 72 Ca 0.41 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 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 4.21 -0.84 1.61 -1.94 -1.26 -4.66 119.30 116.42 1hra s MET 73 Ca 0.00 1.66 0.01 0.00 -1.71 0.00 0.00 55.69 55.65 1hra s MET 73 Cb 0.00 -2.69 0.31 0.00 2.01 0.00 0.00 34.83 34.46 1hra s MET 73 CO 0.00 -0.14 1.28 0.43 -0.01 0.00 0.00 175.02 176.59 1hra n SER 74 N 0.18 5.62 -4.39 3.03 7.64 -1.20 -4.19 113.62 120.31 1hra n SER 74 Ca 0.04 -3.58 -0.44 0.00 1.01 0.00 0.00 58.87 55.90 1hra n SER 74 Cb 0.48 -0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 62.70 1hra n SER 74 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1hra s LYS 75 N -3.36 3.04 0.00 1.43 -0.14 -1.26 -4.92 119.74 114.53 1hra s LYS 75 Ca 0.40 -1.24 0.00 0.00 -1.36 0.00 0.00 55.97 53.77 1hra s LYS 75 Cb 0.17 -4.18 0.00 0.00 -1.68 0.00 0.00 37.83 32.14 1hra s LYS 75 CO -0.05 -1.27 0.00 -1.91 -0.76 0.00 0.00 175.35 171.36 1hra n GLU 76 N 5.81 0.00 -3.43 1.68 2.13 -1.26 -4.76 120.64 120.82 1hra n GLU 76 Ca -0.10 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.35 1hra n GLU 76 Cb 0.43 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.10 1hra n GLU 76 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1hra n SER 77 N 0.00 4.81 -4.38 4.31 3.41 -1.26 -5.03 113.62 115.48 1hra n SER 77 Ca 0.00 -3.23 -0.34 0.00 -0.26 0.00 0.00 58.87 55.03 1hra n SER 77 Cb 0.00 -1.08 -0.13 0.00 -0.26 0.00 0.00 64.21 62.73 1hra n SER 77 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1hra s VAL 78 N -1.86 3.53 -0.82 -3.33 0.11 -1.26 -0.95 120.40 115.81 1hra s VAL 78 Ca 0.31 -0.46 0.02 0.00 -2.93 0.00 0.00 61.98 58.91 1hra s VAL 78 Cb -0.01 -2.57 0.30 0.00 -1.53 0.00 0.00 36.38 32.57 1hra s VAL 78 CO -0.05 0.46 1.24 0.54 -3.33 0.00 0.00 175.10 173.95 1hra n ARG 79 N 4.22 3.90 0.00 1.54 1.74 -1.26 -2.90 116.66 123.90 1hra n ARG 79 Ca -0.18 -4.70 0.00 0.00 -0.77 0.00 0.00 57.85 52.20 1hra n ARG 79 Cb 0.52 -2.37 0.00 0.00 -1.02 0.00 0.00 32.46 29.59 1hra n ARG 79 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38