#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 2.26 -0.55 0.03 0.02 -1.26 -4.89 135.00 130.60 1hra s PRO 2 Ca 0.00 0.46 0.00 0.00 0.02 0.00 0.00 61.00 61.48 1hra s PRO 2 Cb 0.00 -4.73 0.14 0.00 0.02 0.00 0.00 34.50 29.94 1hra s PRO 2 CO 0.00 -3.44 0.33 1.03 -0.33 0.00 0.00 177.00 174.59 1hra s ARG 3 N 7.70 2.24 0.07 5.54 0.52 -1.26 -4.17 118.95 129.59 1hra s ARG 3 Ca 0.80 -2.50 -0.17 0.00 -0.52 0.00 0.00 55.73 53.35 1hra s ARG 3 Cb -0.12 -3.53 -0.14 0.00 0.52 0.00 0.00 34.95 31.68 1hra s ARG 3 CO 0.12 -1.13 1.31 -0.24 0.02 0.00 0.00 175.30 175.38 1hra h VAL 4 N 5.50 1.34 0.00 3.52 3.04 -1.96 -3.49 116.25 124.20 1hra h VAL 4 Ca -0.05 -1.66 0.00 0.00 -1.01 0.00 0.00 66.70 63.99 1hra h VAL 4 Cb 0.94 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 32.15 1hra h VAL 4 CO 0.69 0.51 0.00 -1.22 -1.01 0.00 0.00 177.57 176.54 1hra n TYR 5 N -4.26 0.00 0.00 3.17 4.01 -1.26 -5.00 117.16 113.82 1hra n TYR 5 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1hra n TYR 5 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 1hra n TYR 5 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1hra n LYS 6 N 0.00 0.00 -0.35 -0.72 0.00 -0.30 -4.29 118.16 112.50 1hra n LYS 6 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1hra n LYS 6 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1hra n LYS 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1hra n PRO 7 N -0.82 0.86 0.00 -1.58 -0.04 -1.12 -1.38 135.00 130.92 1hra n PRO 7 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1hra n PRO 7 Cb 0.00 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1hra n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hra n PHE 9 N -1.82 1.37 0.00 0.00 7.35 0.50 -3.90 117.46 120.96 1hra n PHE 9 Ca 0.00 -0.72 0.00 0.00 -0.76 0.00 0.00 57.45 55.97 1hra n PHE 9 Cb 0.24 -0.45 0.00 0.00 0.35 0.00 0.00 39.48 39.62 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 0.06 0.00 -3.85 -2.13 0.31 -1.08 -4.42 118.33 107.22 1hra n VAL 10 Ca 0.22 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.25 1hra n VAL 10 Cb 0.92 -0.35 -0.14 0.00 -0.91 0.00 0.00 33.84 33.36 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 0.32 0.53 0.39 0.00 2.00 -0.79 -3.81 119.66 118.30 1hra s GLN 12 Ca 0.16 1.00 0.00 0.00 -2.00 0.00 0.00 55.36 54.52 1hra s GLN 12 Cb -0.24 0.44 0.00 0.00 0.80 0.00 0.00 33.01 34.01 1hra s GLN 12 CO -0.04 -0.55 0.00 -0.40 -0.50 0.00 0.00 175.29 173.81 1hra n ASP 13 N 5.42 -8.87 0.00 6.67 5.68 -1.15 -4.58 116.55 119.72 1hra n ASP 13 Ca -0.03 1.35 0.00 0.00 -0.50 0.00 0.00 54.79 55.61 1hra n ASP 13 Cb 0.51 -4.99 0.00 0.00 -1.14 0.00 0.00 41.12 35.49 1hra n ASP 13 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1hra n LYS 14 N 0.32 0.00 -4.07 0.11 4.81 -1.26 -4.40 118.16 113.67 1hra n LYS 14 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 1hra n LYS 14 Cb 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.90 1hra n LYS 14 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1hra s SER 15 N -1.00 0.48 0.59 3.14 1.04 -1.26 -1.15 113.70 115.54 1hra s SER 15 Ca 0.00 -0.07 -0.18 0.00 0.48 0.00 0.00 55.95 56.18 1hra s SER 15 Cb 0.00 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1hra s SER 15 CO 0.00 0.02 1.16 -0.55 0.98 0.00 0.00 173.24 174.85 1hra s SER 16 N 0.09 5.35 0.19 7.02 0.15 -1.25 -5.02 113.70 120.23 1hra s SER 16 Ca -0.01 2.23 -0.31 0.00 0.70 0.00 0.00 55.95 58.56 1hra s SER 16 Cb -0.04 -2.58 -0.10 0.00 -1.71 0.00 0.00 66.02 61.59 1hra s SER 16 CO -0.00 -1.48 1.57 -0.83 1.20 0.00 0.00 173.24 173.70 1hra s GLY 17 N -1.86 1.66 0.20 9.45 0.00 -1.26 -4.72 107.32 110.79 1hra s GLY 17 Ca 0.74 1.40 0.06 0.00 0.00 0.00 0.00 44.72 46.91 1hra s GLY 17 CO 0.32 2.60 0.14 -0.19 0.00 0.00 0.00 173.10 175.98 1hra s TYR 18 N 0.92 3.10 0.00 1.90 1.51 -1.26 -4.94 117.35 118.59 1hra s TYR 18 Ca 0.69 -0.06 0.00 0.00 -1.01 0.00 0.00 57.07 56.68 1hra s TYR 18 Cb -0.44 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 1hra s TYR 18 CO 0.34 0.52 0.00 0.72 -1.11 0.00 0.00 175.55 176.02 1hra n HIS 19 N -0.64 0.00 -3.64 2.71 8.25 -1.26 -5.05 115.22 115.59 1hra n HIS 19 Ca -0.08 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.99 1hra n HIS 19 Cb 0.56 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.59 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 0.68 3.47 0.00 4.41 -0.85 -1.26 -4.85 117.35 118.96 1hra s TYR 20 Ca 0.00 -2.59 0.00 0.00 -0.52 0.00 0.00 57.07 53.96 1hra s TYR 20 Cb 0.00 -3.32 0.00 0.00 0.38 0.00 0.00 41.96 39.02 1hra s TYR 20 CO 0.00 -0.87 0.00 0.41 -1.52 0.00 0.00 175.55 173.57 1hra n GLY 21 N 3.54 2.52 0.00 5.49 0.00 -1.26 -3.46 105.19 112.02 1hra n GLY 21 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.74 0.00 -4.56 1.61 3.14 -1.26 -4.99 118.33 111.53 1hra n VAL 22 Ca 0.00 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.07 1hra n VAL 22 Cb 0.00 -0.42 -0.17 0.00 -1.06 0.00 0.00 33.84 32.20 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 0.10 2.94 0.02 6.55 0.15 -1.26 -4.80 113.70 117.39 1hra s SER 23 Ca 0.00 -0.56 0.07 0.00 0.70 0.00 0.00 55.95 56.16 1hra s SER 23 Cb 0.00 -1.35 -0.02 0.00 -1.71 0.00 0.00 66.02 62.94 1hra s SER 23 CO 0.00 0.05 -0.22 0.00 1.20 0.00 0.00 173.24 174.27 1hra s ALA 24 N 0.92 1.88 -0.18 5.45 0.00 -0.82 -0.37 121.76 128.62 1hra s ALA 24 Ca -0.06 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1hra s ALA 24 Cb -0.15 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1hra s ALA 24 CO -0.03 0.44 0.85 0.00 0.00 0.00 0.00 175.76 177.02 1hra n GLU 26 N 0.44 0.00 -0.18 0.00 4.71 -1.26 -3.90 120.64 120.45 1hra n GLU 26 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 1hra n GLU 26 Cb 0.42 0.00 0.06 0.00 -1.01 0.00 0.00 31.44 30.91 1hra n GLU 26 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1hra h GLY 27 N 0.00 0.76 1.15 0.62 0.00 -1.98 -2.93 103.07 100.69 1hra h GLY 27 Ca 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 1hra h GLY 27 CO 0.00 0.12 -0.31 0.00 0.00 0.00 0.00 176.54 176.35 1hra h LYS 29 N 0.79 1.24 0.33 0.00 5.09 -1.77 0.20 116.57 122.45 1hra h LYS 29 Ca 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 60.65 60.66 1hra h LYS 29 Cb 0.89 -0.24 0.00 0.00 0.10 0.00 0.00 32.23 32.98 1hra h LYS 29 CO 0.08 0.91 -0.16 0.78 -2.09 0.00 0.00 179.45 178.97 1hra h GLY 30 N 1.25 -0.47 0.32 0.07 0.00 -1.21 -2.51 103.07 100.53 1hra h GLY 30 Ca 0.31 0.17 0.21 0.00 0.00 0.00 0.00 47.33 48.02 1hra h GLY 30 CO -0.05 -0.17 0.59 -2.75 0.00 0.00 0.00 176.54 174.16 1hra h PHE 31 N -0.51 0.45 0.07 5.60 3.04 -0.43 0.53 116.94 125.69 1hra h PHE 31 Ca -0.05 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 1hra h PHE 31 Cb 0.38 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.76 1hra h PHE 31 CO -0.04 0.12 -0.03 0.35 -2.02 0.00 0.00 178.31 176.69 1hra h PHE 32 N 0.34 -0.09 0.13 0.41 3.57 -0.19 0.65 116.94 121.76 1hra h PHE 32 Ca 0.45 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.96 1hra h PHE 32 Cb 1.22 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1hra h PHE 32 CO -0.00 0.41 -0.18 -0.09 -2.23 0.00 0.00 178.31 176.23 1hra h ARG 33 N -0.65 -0.34 -0.36 1.11 2.43 -1.26 0.82 114.38 116.12 1hra h ARG 33 Ca -0.01 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1hra h ARG 33 Cb 0.54 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.09 1hra h ARG 33 CO 0.02 -0.23 -0.16 -0.09 -1.51 0.00 0.00 179.97 178.00 1hra h ARG 34 N -0.36 -0.09 0.09 0.20 9.65 -0.48 0.29 114.38 123.69 1hra h ARG 34 Ca 0.02 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1hra h ARG 34 Cb 0.36 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1hra h ARG 34 CO -0.08 -0.06 -0.05 0.77 2.80 0.00 0.00 179.97 183.36 1hra h SER 35 N -0.09 -0.11 -0.19 -3.80 0.02 -0.90 -0.74 113.55 107.75 1hra h SER 35 Ca 0.18 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1hra h SER 35 Cb 0.37 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1hra h SER 35 CO -0.42 -0.05 0.08 0.40 -1.14 0.00 0.00 176.83 175.70 1hra h ILE 36 N -0.19 1.15 -0.44 3.27 2.04 -0.35 0.23 117.51 123.23 1hra h ILE 36 Ca -0.01 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1hra h ILE 36 Cb 0.10 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1hra h ILE 36 CO 0.02 0.15 0.10 -0.61 0.00 0.00 0.00 178.15 177.81 1hra h GLN 37 N 0.15 0.70 0.00 2.37 4.15 -0.40 -3.42 115.11 118.67 1hra h GLN 37 Ca 0.06 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1hra h GLN 37 Cb 0.16 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1hra h GLN 37 CO -0.01 0.71 -0.65 0.36 -1.93 0.00 0.00 178.83 177.32 1hra n LYS 38 N -4.52 0.00 -2.65 1.69 2.85 -1.12 -4.26 118.16 110.16 1hra n LYS 38 Ca 0.00 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.04 1hra n LYS 38 Cb 0.22 -0.36 -0.00 0.00 -0.65 0.00 0.00 35.03 34.24 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 -2.92 3.61 -4.21 -5.58 0.23 0.58 -5.00 115.26 101.96 1hra n ASN 39 Ca 0.00 -3.42 -0.39 0.00 -0.53 0.00 0.00 54.58 50.24 1hra n ASN 39 Cb 0.33 -0.50 -0.10 0.00 -2.08 0.00 0.00 39.78 37.42 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 -3.35 2.41 -0.22 -3.83 0.23 0.12 -4.45 119.30 110.21 1hra s MET 40 Ca 0.42 -1.65 -0.01 0.00 -1.03 0.00 0.00 55.69 53.43 1hra s MET 40 Cb 0.39 -3.77 0.06 0.00 -1.53 0.00 0.00 34.83 29.99 1hra s MET 40 CO -0.12 -1.06 -0.01 -1.50 -2.03 0.00 0.00 175.02 170.29 1hra s ILE 41 N 1.33 1.16 -0.07 3.16 2.07 -1.26 -5.00 121.20 122.58 1hra s ILE 41 Ca 0.05 -1.01 -0.29 0.00 -1.41 0.00 0.00 60.65 57.98 1hra s ILE 41 Cb -0.24 -1.53 0.11 0.00 0.13 0.00 0.00 42.46 40.92 1hra s ILE 41 CO -0.01 -0.17 0.90 -0.72 -1.91 0.00 0.00 174.94 173.04 1hra s TYR 42 N 1.56 -0.40 0.00 3.50 -0.85 -1.26 -5.00 117.35 114.90 1hra s TYR 42 Ca -0.03 0.49 0.00 0.00 -0.52 0.00 0.00 57.07 57.00 1hra s TYR 42 Cb -0.18 0.49 0.00 0.00 0.38 0.00 0.00 41.96 42.65 1hra s TYR 42 CO -0.08 -0.48 0.00 -2.37 -1.52 0.00 0.00 175.55 171.11 1hra n THR 43 N 0.28 0.00 -4.20 -3.49 5.66 -1.26 -4.94 114.28 106.32 1hra n THR 43 Ca -0.11 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.59 1hra n THR 43 Cb 0.60 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.29 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 0.76 2.57 0.00 0.00 1.44 -1.26 -3.95 115.22 114.77 1hra n HIS 45 Ca -0.12 -4.06 0.00 0.00 -2.01 0.00 0.00 57.72 51.53 1hra n HIS 45 Cb 0.52 -0.47 0.00 0.00 0.12 0.00 0.00 29.99 30.16 1hra n HIS 45 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1hra n ARG 46 N 1.50 0.00 -4.30 -1.40 1.74 -1.26 -4.81 116.66 108.13 1hra n ARG 46 Ca 0.25 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.15 1hra n ARG 46 Cb 0.41 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.76 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 -0.81 1.39 -0.13 0.55 1.47 -1.25 -5.06 116.67 112.82 1hra s ASP 47 Ca 0.00 -1.61 0.15 0.00 1.18 0.00 0.00 52.55 52.27 1hra s ASP 47 Cb 0.00 0.46 0.66 0.00 -0.34 0.00 0.00 42.92 43.70 1hra s ASP 47 CO 0.00 -0.94 1.55 2.29 0.68 0.00 0.00 175.17 178.74 1hra n LYS 48 N -0.55 3.71 -0.77 2.11 0.00 -1.26 -2.70 118.16 118.69 1hra n LYS 48 Ca 0.03 -2.59 0.06 0.00 -0.00 0.00 0.00 58.31 55.81 1hra n LYS 48 Cb 0.64 -1.93 0.15 0.00 -0.00 0.00 0.00 35.03 33.90 1hra n LYS 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1hra n ASN 49 N 0.85 1.54 0.00 -5.58 6.94 -1.26 -4.90 115.26 112.85 1hra n ASN 49 Ca 0.23 -3.33 0.00 0.00 -0.02 0.00 0.00 54.58 51.46 1hra n ASN 49 Cb 0.88 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1hra n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hra n VAL 51 N -0.38 0.00 -3.77 0.00 0.31 -0.19 -4.83 118.33 109.48 1hra n VAL 51 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1hra n VAL 51 Cb 0.00 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.77 1hra n VAL 51 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1hra s ILE 52 N 2.20 -0.06 0.00 2.52 -1.09 -1.26 -5.03 121.20 118.48 1hra s ILE 52 Ca 0.00 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1hra s ILE 52 Cb 0.00 -0.10 0.00 0.00 -1.58 0.00 0.00 42.46 40.78 1hra s ILE 52 CO 0.00 0.09 0.00 -0.46 -1.23 0.00 0.00 174.94 173.34 1hra n ASN 53 N 4.20 0.00 -3.19 3.58 6.94 -1.26 -4.62 115.26 120.92 1hra n ASN 53 Ca -0.28 0.00 -0.25 0.00 -0.02 0.00 0.00 54.58 54.04 1hra n ASN 53 Cb 0.50 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.87 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 2.05 0.00 -3.83 2.85 -1.26 -4.50 118.16 113.47 1hra n LYS 54 Ca 0.00 -4.17 0.00 0.00 -1.05 0.00 0.00 58.31 53.09 1hra n LYS 54 Cb 0.00 -1.93 0.00 0.00 -0.65 0.00 0.00 35.03 32.45 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 0.53 0.00 -2.42 0.58 0.31 -1.26 -5.10 118.33 110.98 1hra n VAL 55 Ca 0.27 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1hra n VAL 55 Cb 0.48 1.04 0.00 0.00 -0.91 0.00 0.00 33.84 34.45 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 -0.28 0.00 -2.58 2.52 -2.24 -1.26 -5.11 114.28 105.32 1hra n THR 56 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1hra n THR 56 Cb 0.01 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.23 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 -3.45 -3.15 -0.78 1.85 -1.26 -4.96 116.66 104.91 1hra n ARG 57 Ca 0.00 2.75 -0.22 0.00 -1.00 0.00 0.00 57.85 59.38 1hra n ARG 57 Cb 0.00 -4.96 0.01 0.00 -1.05 0.00 0.00 32.46 26.46 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 0.85 -4.72 -4.46 2.89 4.13 -1.26 -5.07 115.26 107.61 1hra n ASN 58 Ca -0.09 -0.30 -0.31 0.00 1.68 0.00 0.00 54.58 55.56 1hra n ASN 58 Cb 0.14 -3.87 -0.12 0.00 -1.54 0.00 0.00 39.78 34.39 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 -5.80 2.09 0.13 3.52 6.06 -1.26 -1.02 118.95 122.67 1hra s ARG 59 Ca 0.33 -0.97 -0.04 0.00 -2.50 0.00 0.00 55.73 52.54 1hra s ARG 59 Cb -0.16 -2.20 0.02 0.00 0.06 0.00 0.00 34.95 32.66 1hra s ARG 59 CO 0.40 0.54 0.25 0.00 -2.50 0.00 0.00 175.30 174.00 1hra n GLN 61 N -0.19 0.00 -0.25 0.00 -0.00 -1.26 -4.15 117.38 111.53 1hra n GLN 61 Ca -0.02 0.00 0.06 0.00 -0.00 0.00 0.00 57.00 57.03 1hra n GLN 61 Cb 0.21 -0.13 0.19 0.00 -0.00 0.00 0.00 30.24 30.50 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 -0.57 2.61 5.03 -1.94 0.29 116.97 122.74 1hra h TYR 62 Ca 0.00 0.04 0.06 0.00 2.58 0.00 0.00 58.73 61.41 1hra h TYR 62 Cb 0.00 -0.04 -0.09 0.00 1.55 0.00 0.00 36.73 38.16 1hra h TYR 62 CO 0.00 -0.05 -0.52 0.00 -1.32 0.00 0.00 178.16 176.27 1hra n ARG 64 N -5.12 2.14 0.08 0.00 5.12 -0.22 -0.43 116.66 118.22 1hra n ARG 64 Ca -0.01 -1.85 -0.13 0.00 -1.93 0.00 0.00 57.85 53.93 1hra n ARG 64 Cb 0.29 -1.30 -0.07 0.00 -1.16 0.00 0.00 32.46 30.22 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 2.48 -0.10 0.09 0.55 -0.00 0.06 -2.64 115.31 115.75 1hra h LEU 65 Ca 0.00 0.01 -0.26 0.00 -0.00 0.00 0.00 57.88 57.63 1hra h LEU 65 Cb 0.70 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.38 1hra h LEU 65 CO 0.00 -0.07 -1.21 1.56 -0.00 0.00 0.00 178.44 178.71 1hra h GLN 66 N -0.11 0.19 -0.09 1.13 7.50 -0.41 0.61 115.11 123.93 1hra h GLN 66 Ca -0.01 -0.33 -0.22 0.00 0.50 0.00 0.00 58.65 58.59 1hra h GLN 66 Cb 0.09 0.12 0.01 0.00 0.05 0.00 0.00 27.48 27.75 1hra h GLN 66 CO 0.01 1.14 -0.83 -0.22 -1.50 0.00 0.00 178.83 177.43 1hra h LYS 67 N 0.05 0.63 -0.28 1.46 3.64 -0.90 -1.61 116.57 119.57 1hra h LYS 67 Ca -0.11 -0.56 -0.10 0.00 -1.27 0.00 0.00 60.65 58.61 1hra h LYS 67 Cb 1.92 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.86 1hra h LYS 67 CO 0.18 1.18 -0.25 0.00 -2.27 0.00 0.00 179.45 178.28 1hra h PHE 69 N 0.48 0.00 -0.08 0.00 0.04 0.28 -0.91 116.94 116.74 1hra h PHE 69 Ca 0.07 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.86 1hra h PHE 69 Cb 0.70 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 1hra h PHE 69 CO 0.03 0.00 0.29 0.93 -0.60 0.00 0.00 178.31 178.96 1hra h GLU 70 N 0.00 0.00 -1.53 1.51 5.08 -0.81 0.34 114.58 119.16 1hra h GLU 70 Ca 0.10 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.85 1hra h GLU 70 Cb 0.66 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.51 1hra h GLU 70 CO -0.00 0.00 -0.47 0.28 -1.00 0.00 0.00 179.01 177.82 1hra n VAL 71 N -3.14 2.56 0.00 3.13 0.31 -0.35 -5.02 118.33 115.83 1hra n VAL 71 Ca -0.00 -4.79 0.00 0.00 -0.01 0.00 0.00 64.34 59.54 1hra n VAL 71 Cb 0.37 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 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 -0.51 0.00 3.80 2.92 0.00 0.11 -4.52 105.19 106.99 1hra n GLY 72 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 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 4.41 -0.86 1.61 -1.94 -1.26 -4.82 119.30 116.44 1hra s MET 73 Ca 0.00 1.23 0.01 0.00 -1.71 0.00 0.00 55.69 55.22 1hra s MET 73 Cb 0.00 -2.51 0.32 0.00 2.01 0.00 0.00 34.83 34.65 1hra s MET 73 CO 0.00 0.13 1.42 0.43 -0.01 0.00 0.00 175.02 177.00 1hra n SER 74 N -0.01 6.07 -4.30 3.03 7.64 -1.22 -3.89 113.62 120.93 1hra n SER 74 Ca 0.04 -3.64 -0.45 0.00 1.01 0.00 0.00 58.87 55.83 1hra n SER 74 Cb 0.52 -0.95 -0.05 0.00 -1.01 0.00 0.00 64.21 62.72 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 -3.75 2.96 0.00 1.43 -0.14 -1.26 -4.93 119.74 114.05 1hra s LYS 75 Ca 0.41 -1.78 0.00 0.00 -1.36 0.00 0.00 55.97 53.25 1hra s LYS 75 Cb 0.20 -4.25 0.00 0.00 -1.68 0.00 0.00 37.83 32.10 1hra s LYS 75 CO -0.10 -1.31 0.00 -1.91 -0.76 0.00 0.00 175.35 171.27 1hra n GLU 76 N 5.10 0.00 -3.39 1.68 4.07 -1.25 -4.81 120.64 122.04 1hra n GLU 76 Ca -0.11 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.62 1hra n GLU 76 Cb 0.41 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.75 1hra n GLU 76 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1hra n SER 77 N 0.00 4.88 -4.48 4.31 3.41 -1.26 -5.04 113.62 115.44 1hra n SER 77 Ca 0.00 -3.27 -0.33 0.00 -0.26 0.00 0.00 58.87 55.01 1hra n SER 77 Cb 0.00 -1.07 -0.13 0.00 -0.26 0.00 0.00 64.21 62.76 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 -2.01 3.43 -0.43 -3.33 0.11 -1.26 -3.41 120.40 113.50 1hra s VAL 78 Ca 0.32 -0.55 0.04 0.00 -2.93 0.00 0.00 61.98 58.85 1hra s VAL 78 Cb 0.01 -2.42 0.46 0.00 -1.53 0.00 0.00 36.38 32.90 1hra s VAL 78 CO -0.03 0.55 1.54 0.54 -3.33 0.00 0.00 175.10 174.37 1hra n ARG 79 N 2.87 3.05 0.00 1.54 1.74 -1.26 -3.21 116.66 121.40 1hra n ARG 79 Ca -0.18 -3.72 0.00 0.00 -0.77 0.00 0.00 57.85 53.18 1hra n ARG 79 Cb 0.53 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 1hra n ARG 79 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38