#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 0.44 -3.74 0.03 -0.02 -1.26 -4.61 135.00 125.84 1hra n PRO 2 Ca 0.00 0.16 -0.27 0.00 -2.02 0.00 0.00 63.50 61.38 1hra n PRO 2 Cb 0.00 -1.72 -0.17 0.00 -0.02 0.00 0.00 33.50 31.59 1hra n PRO 2 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1hra s ARG 3 N 1.89 0.64 0.00 -0.52 3.52 -1.26 -1.31 118.95 121.91 1hra s ARG 3 Ca 0.96 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 56.27 1hra s ARG 3 Cb -1.25 -1.85 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1hra s ARG 3 CO 0.66 -0.56 0.00 0.28 -0.81 0.00 0.00 175.30 174.87 1hra n VAL 4 N 5.08 0.00 -4.41 7.11 0.31 -1.26 -5.08 118.33 120.08 1hra n VAL 4 Ca -0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.01 1hra n VAL 4 Cb 0.48 -0.19 -0.09 0.00 -0.91 0.00 0.00 33.84 33.13 1hra n VAL 4 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1hra s TYR 5 N 0.10 2.45 0.00 3.52 -0.85 -1.26 -5.09 117.35 116.22 1hra s TYR 5 Ca 0.00 -0.32 0.00 0.00 -0.52 0.00 0.00 57.07 56.23 1hra s TYR 5 Cb 0.00 -1.13 0.00 0.00 0.38 0.00 0.00 41.96 41.21 1hra s TYR 5 CO 0.00 0.65 0.37 0.36 -1.52 0.00 0.00 175.55 175.42 1hra n LYS 6 N -0.75 0.00 -0.36 -3.49 0.00 -1.26 -2.33 118.16 109.97 1hra n LYS 6 Ca -0.05 0.05 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1hra n LYS 6 Cb 0.60 -0.89 -0.01 0.00 -0.00 0.00 0.00 35.03 34.73 1hra n LYS 6 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1hra n PRO 7 N -0.66 0.72 0.12 -1.58 -0.02 -1.21 0.11 135.00 132.47 1hra n PRO 7 Ca 0.00 -0.07 -0.22 0.00 -2.02 0.00 0.00 63.50 61.19 1hra n PRO 7 Cb 0.00 -1.25 -0.14 0.00 -0.02 0.00 0.00 33.50 32.09 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 -3.72 0.01 0.00 0.00 -0.00 0.32 -1.58 117.46 112.49 1hra n PHE 9 Ca -0.14 -0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.31 1hra n PHE 9 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.51 1hra n PHE 9 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1hra n VAL 10 N -0.54 0.00 -2.18 -2.13 0.31 -1.26 -4.56 118.33 107.97 1hra n VAL 10 Ca 0.22 -0.06 -0.25 0.00 -0.01 0.00 0.00 64.34 64.23 1hra n VAL 10 Cb 0.20 0.43 0.01 0.00 -0.91 0.00 0.00 33.84 33.58 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 -0.63 0.91 0.00 0.00 -0.06 -1.25 -4.73 117.38 111.62 1hra n GLN 12 Ca 0.42 -1.72 0.00 0.00 -2.00 0.00 0.00 57.00 53.71 1hra n GLN 12 Cb 0.85 -0.74 0.00 0.00 -4.06 0.00 0.00 30.24 26.29 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 0.21 0.00 -4.89 1.69 8.00 0.30 -4.46 116.55 117.39 1hra n ASP 13 Ca 0.02 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.19 1hra n ASP 13 Cb 0.73 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.78 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 3.57 0.49 -1.24 2.20 -1.24 -4.07 119.74 119.45 1hra s LYS 14 Ca 0.00 -0.14 0.02 0.00 -0.36 0.00 0.00 55.97 55.50 1hra s LYS 14 Cb 0.00 -3.01 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 1hra s LYS 14 CO 0.00 0.60 0.01 -1.54 -0.36 0.00 0.00 175.35 174.05 1hra s SER 15 N -2.02 4.02 0.00 1.43 1.04 -1.26 -1.74 113.70 115.17 1hra s SER 15 Ca 0.32 -1.60 0.00 0.00 0.48 0.00 0.00 55.95 55.15 1hra s SER 15 Cb -0.13 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1hra s SER 15 CO 0.20 -0.77 0.00 -1.20 0.98 0.00 0.00 173.24 172.45 1hra n SER 16 N -1.20 0.00 0.00 7.02 7.64 0.11 -1.92 113.62 125.27 1hra n SER 16 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1hra n SER 16 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 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 -0.94 -1.44 3.55 0.23 0.00 -1.26 -4.58 105.19 100.75 1hra n GLY 17 Ca 0.00 0.61 -0.34 0.00 0.00 0.00 0.00 46.02 46.29 1hra n GLY 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hra s TYR 18 N 0.00 3.06 0.00 1.61 5.04 -1.26 -5.17 117.35 120.63 1hra s TYR 18 Ca 0.00 -0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 1hra s TYR 18 Cb 0.00 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 40.41 1hra s TYR 18 CO 0.00 0.12 0.30 0.72 -1.34 0.00 0.00 175.55 175.35 1hra n HIS 19 N 3.11 0.00 -3.70 4.97 8.25 -1.26 -4.89 115.22 121.69 1hra n HIS 19 Ca -0.18 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.99 1hra n HIS 19 Cb 0.53 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.59 1.55 0.00 4.41 -0.85 -1.26 -4.98 117.35 115.62 1hra s TYR 20 Ca 0.00 -1.70 0.00 0.00 -0.52 0.00 0.00 57.07 54.85 1hra s TYR 20 Cb 0.00 -1.62 0.00 0.00 0.38 0.00 0.00 41.96 40.72 1hra s TYR 20 CO 0.00 -0.86 0.00 0.41 -1.52 0.00 0.00 175.55 173.58 1hra n GLY 21 N 4.75 2.55 0.00 5.49 0.00 -1.26 -3.13 105.19 113.59 1hra n GLY 21 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.10 0.00 -4.00 1.61 3.14 -1.26 -4.87 118.33 112.85 1hra n VAL 22 Ca 0.00 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 1hra n VAL 22 Cb 0.00 -0.53 -0.15 0.00 -1.06 0.00 0.00 33.84 32.10 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 -0.18 4.36 0.14 6.55 0.15 -1.26 -4.92 113.70 118.55 1hra s SER 23 Ca 0.00 -1.10 0.09 0.00 0.70 0.00 0.00 55.95 55.64 1hra s SER 23 Cb 0.00 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.65 1hra s SER 23 CO 0.00 -0.16 -0.16 0.00 1.20 0.00 0.00 173.24 174.11 1hra s ALA 24 N 1.24 2.75 0.11 5.45 0.00 -0.90 -0.52 121.76 129.88 1hra s ALA 24 Ca -0.03 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.21 1hra s ALA 24 Cb -0.18 -0.64 -0.06 0.00 0.00 0.00 0.00 23.12 22.24 1hra s ALA 24 CO -0.05 0.54 1.08 0.00 0.00 0.00 0.00 175.76 177.34 1hra h GLU 26 N 5.88 0.52 0.09 0.00 5.08 -1.63 0.38 114.58 124.90 1hra h GLU 26 Ca -0.43 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1hra h GLU 26 Cb 1.21 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 1hra h GLU 26 CO 0.75 0.35 -0.27 0.78 -1.00 0.00 0.00 179.01 179.62 1hra h GLY 27 N 0.54 -0.48 0.99 -3.84 0.00 -1.91 -1.36 103.07 97.00 1hra h GLY 27 Ca 0.25 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1hra h GLY 27 CO -0.07 -0.22 0.02 0.00 0.00 0.00 0.00 176.54 176.27 1hra h LYS 29 N 0.03 0.20 0.38 0.00 3.11 -0.34 0.40 116.57 120.34 1hra h LYS 29 Ca 0.01 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 1hra h LYS 29 Cb 0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.18 1hra h LYS 29 CO -0.00 0.13 -0.33 0.78 -2.81 0.00 0.00 179.45 177.21 1hra h GLY 30 N 0.20 -0.80 0.28 5.01 0.00 -0.78 -2.58 103.07 104.41 1hra h GLY 30 Ca 0.35 0.38 0.21 0.00 0.00 0.00 0.00 47.33 48.27 1hra h GLY 30 CO -0.49 -0.29 0.60 -2.75 0.00 0.00 0.00 176.54 173.61 1hra h PHE 31 N -0.72 0.51 0.13 5.60 3.04 0.01 -0.39 116.94 125.12 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 0.64 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.99 1hra h PHE 31 CO -0.18 0.13 -0.06 0.35 -2.02 0.00 0.00 178.31 176.53 1hra h PHE 32 N 0.38 -0.16 -0.53 0.41 3.57 0.17 -0.32 116.94 120.46 1hra h PHE 32 Ca 0.47 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.88 1hra h PHE 32 Cb 1.21 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 1hra h PHE 32 CO -0.00 0.30 -0.03 0.07 -2.23 0.00 0.00 178.31 176.42 1hra h ARG 33 N -0.77 0.93 -1.00 1.11 0.11 -1.36 0.92 114.38 114.32 1hra h ARG 33 Ca -0.02 -0.29 0.10 0.00 0.10 0.00 0.00 59.98 59.88 1hra h ARG 33 Cb 0.54 -0.09 -0.08 0.00 1.11 0.00 0.00 29.97 31.45 1hra h ARG 33 CO 0.03 0.94 0.63 -0.09 0.10 0.00 0.00 179.97 181.58 1hra h ARG 34 N 0.85 1.01 0.00 0.08 1.12 -0.63 0.19 114.38 117.01 1hra h ARG 34 Ca 0.15 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.96 1hra h ARG 34 Cb 0.54 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 30.27 1hra h ARG 34 CO 0.03 0.67 0.00 0.43 -3.11 0.00 0.00 179.97 177.99 1hra n SER 35 N -4.57 0.00 -0.02 -3.80 7.64 -0.17 -3.60 113.62 109.09 1hra n SER 35 Ca 0.18 0.45 -0.09 0.00 1.01 0.00 0.00 58.87 60.41 1hra n SER 35 Cb 0.30 -0.35 -0.04 0.00 -1.01 0.00 0.00 64.21 63.12 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 0.89 -0.21 0.44 2.04 -0.30 0.35 117.51 120.72 1hra h ILE 36 Ca 0.00 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1hra h ILE 36 Cb 0.00 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1hra h ILE 36 CO 0.00 0.01 -0.03 -0.61 0.00 0.00 0.00 178.15 177.52 1hra h GLN 37 N 0.05 0.32 0.00 2.37 4.15 -0.57 -3.39 115.11 118.04 1hra h GLN 37 Ca 0.07 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1hra h GLN 37 Cb 0.09 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1hra h GLN 37 CO -0.12 0.37 0.00 0.36 -1.93 0.00 0.00 178.83 177.51 1hra n LYS 38 N -4.33 0.00 -2.88 1.69 2.85 -1.01 -4.21 118.16 110.26 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 -0.20 -0.02 0.00 -0.65 0.00 0.00 35.03 34.38 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 -3.12 3.21 -4.00 -5.58 0.23 0.12 -4.95 115.26 101.17 1hra n ASN 39 Ca 0.00 -3.40 -0.39 0.00 -0.53 0.00 0.00 54.58 50.26 1hra n ASN 39 Cb 0.00 -0.55 -0.02 0.00 -2.08 0.00 0.00 39.78 37.12 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 -0.13 3.57 -3.93 -3.83 0.00 -0.77 -4.66 117.12 107.36 1hra n MET 40 Ca 0.28 -4.54 -0.30 0.00 0.00 0.00 0.00 57.70 53.14 1hra n MET 40 Cb 0.57 -2.45 -0.14 0.00 0.00 0.00 0.00 33.22 31.20 1hra n MET 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1hra s ILE 41 N -2.15 2.68 0.00 3.17 1.01 -1.26 -4.84 121.20 119.81 1hra s ILE 41 Ca 0.32 -3.44 0.00 0.00 0.00 0.00 0.00 60.65 57.52 1hra s ILE 41 Cb 0.01 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.64 1hra s ILE 41 CO -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 174.94 174.11 1hra n TYR 42 N 2.96 0.00 0.00 3.97 0.18 -1.26 -4.99 117.16 118.02 1hra n TYR 42 Ca 0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.85 1hra n TYR 42 Cb 0.33 0.25 0.00 0.00 -0.38 0.00 0.00 39.34 39.53 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 -1.92 0.00 -0.13 -3.48 -1.04 -1.26 -3.18 114.28 103.27 1hra n THR 43 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1hra n THR 43 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 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 -2.47 1.98 0.00 0.00 2.46 -1.19 -1.61 115.29 114.46 1hra s HIS 45 Ca -0.36 -2.36 0.00 0.00 0.47 0.00 0.00 55.06 52.81 1hra s HIS 45 Cb 0.14 -1.89 0.00 0.00 -0.13 0.00 0.00 32.58 30.70 1hra s HIS 45 CO 0.45 -0.80 0.00 0.54 -2.47 0.00 0.00 174.74 172.46 1hra n ARG 46 N 3.71 0.00 -4.28 2.88 1.74 -1.26 -4.96 116.66 114.49 1hra n ARG 46 Ca 0.07 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.99 1hra n ARG 46 Cb 0.35 -0.07 -0.09 0.00 -1.02 0.00 0.00 32.46 31.63 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 -1.20 1.12 -0.14 0.55 1.47 -1.26 -5.06 116.67 112.15 1hra s ASP 47 Ca 0.00 -1.54 0.12 0.00 1.18 0.00 0.00 52.55 52.31 1hra s ASP 47 Cb 0.00 0.41 0.61 0.00 -0.34 0.00 0.00 42.92 43.60 1hra s ASP 47 CO 0.00 -0.90 1.46 2.29 0.68 0.00 0.00 175.17 178.69 1hra n LYS 48 N -0.49 3.64 -0.49 2.11 2.85 -1.26 -2.68 118.16 121.84 1hra n LYS 48 Ca 0.03 -2.36 0.07 0.00 -1.05 0.00 0.00 58.31 55.00 1hra n LYS 48 Cb 0.65 -1.95 0.17 0.00 -0.65 0.00 0.00 35.03 33.25 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 0.64 1.82 -4.67 -5.58 6.94 -1.26 -4.84 115.26 108.31 1hra n ASN 49 Ca 0.21 -3.51 -0.43 0.00 -0.02 0.00 0.00 54.58 50.83 1hra n ASN 49 Cb 0.87 -0.48 -0.02 0.00 -2.36 0.00 0.00 39.78 37.79 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 2.96 3.09 -0.37 0.00 1.01 -0.34 -4.53 120.40 122.21 1hra s VAL 51 Ca 0.53 -0.83 0.13 0.00 0.00 0.00 0.00 61.98 61.82 1hra s VAL 51 Cb -0.21 -2.25 0.43 0.00 0.00 0.00 0.00 36.38 34.35 1hra s VAL 51 CO 0.16 0.51 0.97 -0.38 0.00 0.00 0.00 175.10 176.36 1hra n ILE 52 N 2.04 1.36 -3.75 2.22 2.08 -1.26 -1.23 119.36 120.81 1hra n ILE 52 Ca -0.17 -3.83 -0.27 0.00 0.56 0.00 0.00 62.75 59.04 1hra n ILE 52 Cb 0.52 -0.05 -0.17 0.00 -0.75 0.00 0.00 39.64 39.20 1hra n ILE 52 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1hra s ASN 53 N -3.19 2.79 -0.65 4.38 4.22 -1.26 -3.93 114.94 117.30 1hra s ASN 53 Ca 0.35 -0.75 0.04 0.00 -2.14 0.00 0.00 52.86 50.36 1hra s ASN 53 Cb 0.43 -0.60 0.35 0.00 1.28 0.00 0.00 41.25 42.70 1hra s ASN 53 CO -0.04 -0.29 1.15 2.29 -2.04 0.00 0.00 177.10 178.17 1hra n LYS 54 N 5.04 3.65 0.00 3.55 2.85 -0.43 -4.58 118.16 128.25 1hra n LYS 54 Ca -0.09 -4.76 0.03 0.00 -1.05 0.00 0.00 58.31 52.44 1hra n LYS 54 Cb 0.47 -2.28 0.02 0.00 -0.65 0.00 0.00 35.03 32.59 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 -0.25 0.00 0.00 0.58 0.31 -1.26 -4.95 118.33 112.76 1hra n VAL 55 Ca 0.35 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1hra n VAL 55 Cb 0.39 1.12 0.00 0.00 -0.91 0.00 0.00 33.84 34.44 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 0.29 0.00 -2.43 2.52 -2.24 -1.26 -5.10 114.28 106.05 1hra n THR 56 Ca 0.03 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.79 1hra n THR 56 Cb 0.15 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.19 -3.10 -0.78 0.00 -0.37 -4.96 116.66 105.27 1hra n ARG 57 Ca 0.00 1.96 -0.22 0.00 -0.00 0.00 0.00 57.85 59.58 1hra n ARG 57 Cb 0.00 -4.36 0.02 0.00 -0.00 0.00 0.00 32.46 28.12 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 0.12 -5.41 -4.30 2.89 4.13 -1.26 -5.06 115.26 106.37 1hra n ASN 58 Ca 0.04 -0.30 -0.32 0.00 1.68 0.00 0.00 54.58 55.68 1hra n ASN 58 Cb 0.15 -4.40 -0.16 0.00 -1.54 0.00 0.00 39.78 33.84 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 -5.77 2.86 0.13 3.52 6.06 -1.26 -1.20 118.95 123.28 1hra s ARG 59 Ca 0.32 -0.83 -0.06 0.00 -2.50 0.00 0.00 55.73 52.66 1hra s ARG 59 Cb -0.15 -2.32 0.02 0.00 0.06 0.00 0.00 34.95 32.56 1hra s ARG 59 CO 0.40 0.32 0.30 0.00 -2.50 0.00 0.00 175.30 173.82 1hra n GLN 61 N -0.21 0.00 -0.18 0.00 6.02 -1.26 -4.26 117.38 117.50 1hra n GLN 61 Ca -0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.95 1hra n GLN 61 Cb 0.21 -0.27 0.08 0.00 1.02 0.00 0.00 30.24 31.29 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 0.33 -0.91 1.08 5.03 -1.68 0.17 116.97 120.99 1hra h TYR 62 Ca 0.00 0.03 0.13 0.00 2.58 0.00 0.00 58.73 61.47 1hra h TYR 62 Cb 0.00 -0.06 -0.14 0.00 1.55 0.00 0.00 36.73 38.08 1hra h TYR 62 CO 0.00 0.09 -0.39 0.00 -1.32 0.00 0.00 178.16 176.54 1hra n ARG 64 N -5.30 1.42 -0.08 0.00 5.12 -0.35 -0.47 116.66 116.99 1hra n ARG 64 Ca 0.08 -1.17 -0.08 0.00 -1.93 0.00 0.00 57.85 54.74 1hra n ARG 64 Cb 0.34 -1.28 -0.01 0.00 -1.16 0.00 0.00 32.46 30.36 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 2.53 0.24 0.16 0.55 -0.00 0.53 -2.70 115.31 116.63 1hra h LEU 65 Ca 0.00 0.01 -0.33 0.00 -0.00 0.00 0.00 57.88 57.56 1hra h LEU 65 Cb 0.60 -0.04 0.01 0.00 -0.00 0.00 0.00 40.66 41.23 1hra h LEU 65 CO 0.00 0.18 -1.65 1.56 -0.00 0.00 0.00 178.44 178.53 1hra h GLN 66 N 0.32 0.35 -0.62 1.13 1.08 -0.29 0.68 115.11 117.76 1hra h GLN 66 Ca 0.12 -0.59 -0.09 0.00 -1.45 0.00 0.00 58.65 56.64 1hra h GLN 66 Cb 0.03 0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1hra h GLN 66 CO -0.08 1.24 0.03 -0.22 -0.95 0.00 0.00 178.83 178.86 1hra h LYS 67 N 0.09 1.08 -0.24 1.46 1.63 -0.93 0.28 116.57 119.94 1hra h LYS 67 Ca -0.30 -0.32 -0.13 0.00 -0.85 0.00 0.00 60.65 59.05 1hra h LYS 67 Cb 2.07 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 33.59 1hra h LYS 67 CO 0.18 1.03 -0.39 0.00 -3.45 0.00 0.00 179.45 176.82 1hra h PHE 69 N 0.47 0.00 -0.15 0.00 0.04 0.58 -0.82 116.94 117.06 1hra h PHE 69 Ca 0.04 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.86 1hra h PHE 69 Cb 0.89 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 1hra h PHE 69 CO 0.04 0.00 0.38 0.93 -0.60 0.00 0.00 178.31 179.06 1hra h GLU 70 N 0.00 0.00 -1.67 1.51 5.08 -0.72 0.29 114.58 119.08 1hra h GLU 70 Ca 0.02 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.76 1hra h GLU 70 Cb 0.08 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.93 1hra h GLU 70 CO -0.00 0.00 -0.49 0.28 -1.00 0.00 0.00 179.01 177.80 1hra n VAL 71 N -3.19 2.65 0.00 3.13 0.31 -0.31 -5.03 118.33 115.88 1hra n VAL 71 Ca 0.02 -4.96 0.00 0.00 -0.01 0.00 0.00 64.34 59.39 1hra n VAL 71 Cb 0.48 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 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 -0.45 0.00 3.85 2.92 0.00 0.09 -4.27 105.19 107.32 1hra n GLY 72 Ca 0.40 0.00 -0.33 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 3.98 -0.80 1.61 -1.94 -1.26 -4.36 119.30 116.52 1hra s MET 73 Ca 0.00 0.60 0.02 0.00 -1.71 0.00 0.00 55.69 54.61 1hra s MET 73 Cb 0.00 -2.49 0.30 0.00 2.01 0.00 0.00 34.83 34.65 1hra s MET 73 CO 0.00 0.20 1.19 0.45 -0.01 0.00 0.00 175.02 176.85 1hra n SER 74 N -0.27 5.32 -4.37 3.03 2.88 -1.19 -4.05 113.62 114.97 1hra n SER 74 Ca 0.03 -3.57 -0.45 0.00 -1.33 0.00 0.00 58.87 53.55 1hra n SER 74 Cb 0.53 -0.87 -0.06 0.00 -0.75 0.00 0.00 64.21 63.06 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 -3.25 3.02 0.00 -1.46 -0.14 -1.26 -4.92 119.74 111.73 1hra s LYS 75 Ca 0.41 -1.36 0.00 0.00 -1.36 0.00 0.00 55.97 53.65 1hra s LYS 75 Cb 0.18 -4.20 0.00 0.00 -1.68 0.00 0.00 37.83 32.12 1hra s LYS 75 CO -0.05 -1.26 0.00 -1.91 -0.76 0.00 0.00 175.35 171.37 1hra n GLU 76 N 5.63 0.00 -3.50 1.68 2.13 -1.26 -4.77 120.64 120.56 1hra n GLU 76 Ca -0.11 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.30 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 -1.54 -0.41 0.00 0.00 177.13 175.18 1hra s SER 77 N 0.07 6.54 -0.19 4.31 1.04 -1.26 -5.03 113.70 119.19 1hra s SER 77 Ca 0.00 -3.52 -0.03 0.00 0.48 0.00 0.00 55.95 52.88 1hra s SER 77 Cb 0.00 -2.05 -0.01 0.00 0.10 0.00 0.00 66.02 64.05 1hra s SER 77 CO 0.00 -0.27 -0.06 0.54 0.98 0.00 0.00 173.24 174.43 1hra s VAL 78 N -1.09 3.45 -0.40 5.02 0.11 -1.26 -0.93 120.40 125.30 1hra s VAL 78 Ca 0.27 -0.49 -0.04 0.00 -2.93 0.00 0.00 61.98 58.79 1hra s VAL 78 Cb -0.09 -2.53 0.10 0.00 -1.53 0.00 0.00 36.38 32.32 1hra s VAL 78 CO -0.10 0.46 0.19 -0.13 -3.33 0.00 0.00 175.10 172.19 1hra s ARG 79 N 0.98 2.15 0.00 1.54 0.52 -1.26 -3.12 118.95 119.77 1hra s ARG 79 Ca -0.00 -1.70 0.00 0.00 -0.52 0.00 0.00 55.73 53.51 1hra s ARG 79 Cb -0.15 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.75 1hra s ARG 79 CO 0.00 -1.01 0.47 -1.71 0.02 0.00 0.00 175.30 173.08