#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 0.72 -0.70 0.03 0.02 -1.26 -4.55 135.00 129.27 1hra s PRO 2 Ca 0.00 0.07 -0.27 0.00 0.02 0.00 0.00 61.00 60.82 1hra s PRO 2 Cb 0.00 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.73 1hra s PRO 2 CO 0.00 -2.44 1.44 0.50 -0.33 0.00 0.00 177.00 176.17 1hra s ARG 3 N -5.45 3.05 0.00 5.54 3.00 -1.26 -4.77 118.95 119.06 1hra s ARG 3 Ca 0.67 0.03 0.00 0.00 -1.00 0.00 0.00 55.73 55.43 1hra s ARG 3 Cb -0.11 -4.23 0.00 0.00 0.00 0.00 0.00 34.95 30.61 1hra s ARG 3 CO 0.53 -2.29 0.00 1.55 0.00 0.00 0.00 175.30 175.09 1hra n VAL 4 N 6.63 0.00 -4.25 7.11 3.14 -1.26 -5.10 118.33 124.59 1hra n VAL 4 Ca 0.08 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.17 1hra n VAL 4 Cb 0.50 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.18 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 0.16 2.67 -0.06 1.45 -0.85 -1.26 -5.04 117.35 114.41 1hra s TYR 5 Ca 0.00 -0.19 -0.10 0.00 -0.52 0.00 0.00 57.07 56.25 1hra s TYR 5 Cb 0.00 -1.38 -0.03 0.00 0.38 0.00 0.00 41.96 40.92 1hra s TYR 5 CO 0.00 0.43 -0.20 0.36 -1.52 0.00 0.00 175.55 174.62 1hra n LYS 6 N 0.59 0.31 -0.25 -3.49 0.00 0.90 -1.12 118.16 115.10 1hra n LYS 6 Ca -0.13 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1hra n LYS 6 Cb 0.53 -1.04 0.00 0.00 -0.00 0.00 0.00 35.03 34.52 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 -4.05 0.84 -0.00 -1.58 -0.04 -1.13 -2.46 135.00 126.58 1hra n PRO 7 Ca -0.08 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1hra n PRO 7 Cb 0.30 -1.08 -0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 -2.19 0.92 0.00 0.00 7.35 0.10 -3.97 117.46 119.68 1hra n PHE 9 Ca -0.00 -0.35 0.00 0.00 -0.76 0.00 0.00 57.45 56.34 1hra n PHE 9 Cb 0.50 -0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.12 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 0.46 0.00 -3.48 -2.13 0.31 -1.20 -4.72 118.33 107.57 1hra n VAL 10 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.05 1hra n VAL 10 Cb 0.61 -0.70 -0.07 0.00 -0.91 0.00 0.00 33.84 32.77 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 1.21 3.51 0.00 0.00 2.00 -0.70 -2.85 119.66 122.83 1hra s GLN 12 Ca 0.07 -2.74 0.00 0.00 -2.00 0.00 0.00 55.36 50.69 1hra s GLN 12 Cb -0.25 -4.28 0.00 0.00 0.80 0.00 0.00 33.01 29.28 1hra s GLN 12 CO -0.01 -1.26 0.00 -0.40 -0.50 0.00 0.00 175.29 173.13 1hra n ASP 13 N 3.41 0.00 0.00 6.67 5.68 -0.27 -4.35 116.55 127.69 1hra n ASP 13 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.45 1hra n ASP 13 Cb 0.42 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 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 -0.68 0.00 -3.60 0.11 4.81 -1.26 -4.37 118.16 113.18 1hra n LYS 14 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 1hra n LYS 14 Cb 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 34.88 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 1.45 2.23 -1.25 3.14 1.04 -1.26 -0.07 113.70 118.98 1hra s SER 15 Ca 0.00 -0.56 -0.07 0.00 0.48 0.00 0.00 55.95 55.79 1hra s SER 15 Cb 0.00 -0.17 0.19 0.00 0.10 0.00 0.00 66.02 66.14 1hra s SER 15 CO 0.00 -0.35 1.90 -1.54 0.98 0.00 0.00 173.24 174.23 1hra n SER 16 N 5.28 5.88 0.00 7.02 3.41 -1.26 -4.82 113.62 129.13 1hra n SER 16 Ca -0.07 -3.19 0.00 0.00 -0.26 0.00 0.00 58.87 55.35 1hra n SER 16 Cb 0.49 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 1hra n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hra n GLY 17 N 2.27 -0.43 3.43 5.00 0.00 -1.26 -4.59 105.19 109.61 1hra n GLY 17 Ca 0.41 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 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 2.39 0.00 1.61 5.04 -1.26 -5.15 117.35 119.98 1hra s TYR 18 Ca 0.00 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 1hra s TYR 18 Cb 0.00 -1.28 0.00 0.00 0.35 0.00 0.00 41.96 41.03 1hra s TYR 18 CO 0.00 0.36 0.00 0.72 -1.34 0.00 0.00 175.55 175.29 1hra n HIS 19 N 0.84 0.00 -3.08 4.97 8.25 -1.26 -4.95 115.22 119.99 1hra n HIS 19 Ca -0.17 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.84 1hra n HIS 19 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 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 3.14 0.00 4.41 -0.85 -1.26 -4.74 117.35 118.05 1hra s TYR 20 Ca 0.00 -1.24 0.00 0.00 -0.52 0.00 0.00 57.07 55.31 1hra s TYR 20 Cb 0.00 -4.08 0.00 0.00 0.38 0.00 0.00 41.96 38.26 1hra s TYR 20 CO 0.00 -1.33 0.00 0.41 -1.52 0.00 0.00 175.55 173.11 1hra n GLY 21 N 5.11 2.50 0.00 5.49 0.00 -1.26 -3.46 105.19 113.56 1hra n GLY 21 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.53 0.00 -3.93 1.61 3.14 -1.26 -4.96 118.33 112.40 1hra n VAL 22 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 1hra n VAL 22 Cb 0.00 -0.27 -0.14 0.00 -1.06 0.00 0.00 33.84 32.36 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 0.25 4.28 0.05 6.55 0.15 -1.26 -4.84 113.70 118.87 1hra s SER 23 Ca 0.00 -0.59 0.08 0.00 0.70 0.00 0.00 55.95 56.15 1hra s SER 23 Cb 0.00 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.58 1hra s SER 23 CO 0.00 -0.07 -0.24 0.00 1.20 0.00 0.00 173.24 174.14 1hra s ALA 24 N 1.42 2.03 -1.03 5.45 0.00 -0.59 0.01 121.76 129.04 1hra s ALA 24 Ca 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1hra s ALA 24 Cb -0.15 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1hra s ALA 24 CO -0.04 0.47 0.49 0.00 0.00 0.00 0.00 175.76 176.68 1hra n GLU 26 N 0.01 0.00 -0.29 0.00 1.02 -1.26 -3.90 120.64 116.22 1hra n GLU 26 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1hra n GLU 26 Cb 0.23 0.00 0.16 0.00 -0.02 0.00 0.00 31.44 31.81 1hra n GLU 26 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1hra h GLY 27 N 0.00 1.26 1.39 0.62 0.00 -1.98 -2.37 103.07 101.98 1hra h GLY 27 Ca 0.00 -0.32 -0.19 0.00 0.00 0.00 0.00 47.33 46.82 1hra h GLY 27 CO 0.00 0.14 -0.68 0.00 0.00 0.00 0.00 176.54 176.01 1hra h LYS 29 N 0.44 0.81 0.91 0.00 5.09 -1.78 0.15 116.57 122.19 1hra h LYS 29 Ca -0.02 -0.14 -0.04 0.00 0.09 0.00 0.00 60.65 60.54 1hra h LYS 29 Cb 1.26 -0.14 0.00 0.00 0.10 0.00 0.00 32.23 33.46 1hra h LYS 29 CO 0.13 0.69 -0.49 0.78 -2.09 0.00 0.00 179.45 178.48 1hra h GLY 30 N 0.94 -1.38 -0.49 0.07 0.00 -1.11 -2.62 103.07 98.48 1hra h GLY 30 Ca 0.18 0.53 0.33 0.00 0.00 0.00 0.00 47.33 48.38 1hra h GLY 30 CO -0.01 -0.49 0.77 -2.75 0.00 0.00 0.00 176.54 174.07 1hra h PHE 31 N -1.28 0.48 0.28 5.60 3.04 -0.43 0.15 116.94 124.77 1hra h PHE 31 Ca -0.12 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.83 1hra h PHE 31 Cb 1.00 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.38 1hra h PHE 31 CO -0.05 -0.02 -0.13 0.35 -2.02 0.00 0.00 178.31 176.43 1hra h PHE 32 N 0.22 -0.35 -0.62 0.41 3.57 -0.33 -0.32 116.94 119.52 1hra h PHE 32 Ca 0.66 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 62.10 1hra h PHE 32 Cb 2.00 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 40.83 1hra h PHE 32 CO -0.00 0.01 0.18 0.07 -2.23 0.00 0.00 178.31 176.33 1hra h ARG 33 N -0.85 0.96 0.00 1.11 0.11 -1.27 0.57 114.38 115.00 1hra h ARG 33 Ca -0.04 -0.20 0.00 0.00 0.10 0.00 0.00 59.98 59.84 1hra h ARG 33 Cb 0.51 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.45 1hra h ARG 33 CO 0.06 0.84 0.00 0.54 0.10 0.00 0.00 179.97 181.51 1hra n ARG 34 N -4.27 0.13 -0.03 0.08 5.12 0.02 -0.55 116.66 117.16 1hra n ARG 34 Ca 0.05 0.21 -0.04 0.00 -1.93 0.00 0.00 57.85 56.14 1hra n ARG 34 Cb 0.22 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.01 1hra n ARG 34 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1hra n SER 35 N -1.33 0.99 0.03 0.55 7.64 -0.17 -4.72 113.62 116.62 1hra n SER 35 Ca 0.05 0.16 -0.11 0.00 1.01 0.00 0.00 58.87 59.98 1hra n SER 35 Cb 0.10 -0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.73 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 -0.42 0.83 -0.53 0.44 2.04 -0.32 0.19 117.51 119.75 1hra h ILE 36 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1hra h ILE 36 Cb 0.42 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1hra h ILE 36 CO 0.00 0.00 0.17 -0.61 0.00 0.00 0.00 178.15 177.71 1hra h GLN 37 N -0.08 0.78 0.00 2.37 4.15 -0.75 -3.39 115.11 118.19 1hra h GLN 37 Ca 0.04 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1hra h GLN 37 Cb 0.14 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1hra h GLN 37 CO -0.09 0.67 0.00 0.36 -1.93 0.00 0.00 178.83 177.84 1hra n LYS 38 N -4.31 0.00 -2.47 1.69 2.85 -1.09 -4.17 118.16 110.66 1hra n LYS 38 Ca 0.04 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.17 1hra n LYS 38 Cb 0.19 -0.39 0.03 0.00 -0.65 0.00 0.00 35.03 34.21 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 -3.45 3.16 -4.33 -5.58 2.04 0.60 -5.01 115.26 102.71 1hra n ASN 39 Ca 0.00 -2.92 -0.39 0.00 -0.44 0.00 0.00 54.58 50.83 1hra n ASN 39 Cb 0.00 -0.43 -0.12 0.00 -2.53 0.00 0.00 39.78 36.70 1hra n ASN 39 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1hra s MET 40 N -3.63 2.74 -0.12 -3.83 0.23 -0.73 -4.83 119.30 109.12 1hra s MET 40 Ca 0.38 -1.12 -0.01 0.00 -1.03 0.00 0.00 55.69 53.92 1hra s MET 40 Cb 0.38 -3.59 0.03 0.00 -1.53 0.00 0.00 34.83 30.12 1hra s MET 40 CO -0.01 -0.67 -0.05 -1.50 -2.03 0.00 0.00 175.02 170.75 1hra s ILE 41 N 1.48 0.88 -0.22 3.16 2.07 -1.26 -4.99 121.20 122.31 1hra s ILE 41 Ca 0.00 -0.27 -0.24 0.00 -1.41 0.00 0.00 60.65 58.72 1hra s ILE 41 Cb -0.19 -0.98 0.07 0.00 0.13 0.00 0.00 42.46 41.48 1hra s ILE 41 CO 0.05 0.28 0.67 -0.72 -1.91 0.00 0.00 174.94 173.31 1hra s TYR 42 N 1.76 -0.73 -0.02 3.50 -0.85 -1.26 -5.12 117.35 114.63 1hra s TYR 42 Ca 0.04 1.71 0.00 0.00 -0.52 0.00 0.00 57.07 58.30 1hra s TYR 42 Cb -0.13 0.27 0.02 0.00 0.38 0.00 0.00 41.96 42.50 1hra s TYR 42 CO -0.07 -0.39 -0.00 0.99 -1.52 0.00 0.00 175.55 174.55 1hra s THR 43 N 0.13 0.13 -0.85 -3.49 2.01 -1.26 -5.02 115.64 107.30 1hra s THR 43 Ca -0.02 0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.82 1hra s THR 43 Cb -0.04 -0.19 -0.21 0.00 0.01 0.00 0.00 72.50 72.07 1hra s THR 43 CO 0.02 0.10 2.35 0.00 -0.69 0.00 0.00 174.62 176.40 1hra s HIS 45 N 8.91 3.52 0.00 0.00 -3.43 -1.26 -3.31 115.29 119.72 1hra s HIS 45 Ca 1.11 -1.78 0.00 0.00 -0.80 0.00 0.00 55.06 53.59 1hra s HIS 45 Cb -0.49 -4.02 0.00 0.00 -1.43 0.00 0.00 32.58 26.64 1hra s HIS 45 CO 0.31 -1.20 0.00 0.54 -2.00 0.00 0.00 174.74 172.39 1hra n ARG 46 N 5.01 0.00 -4.33 -0.38 1.74 -1.26 -4.66 116.66 112.78 1hra n ARG 46 Ca 0.19 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.10 1hra n ARG 46 Cb 0.47 -0.01 -0.10 0.00 -1.02 0.00 0.00 32.46 31.80 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 -0.72 1.71 0.00 0.55 1.47 -1.21 -5.06 116.67 113.41 1hra s ASP 47 Ca 0.00 -1.26 0.07 0.00 1.18 0.00 0.00 52.55 52.53 1hra s ASP 47 Cb 0.00 0.04 0.22 0.00 -0.34 0.00 0.00 42.92 42.84 1hra s ASP 47 CO 0.00 -0.57 1.17 2.29 0.68 0.00 0.00 175.17 178.74 1hra n LYS 48 N -0.44 1.40 -1.31 2.11 -0.00 -1.26 -1.74 118.16 116.92 1hra n LYS 48 Ca -0.04 -0.62 -0.05 0.00 -0.00 0.00 0.00 58.31 57.60 1hra n LYS 48 Cb 0.65 -1.15 0.12 0.00 -0.00 0.00 0.00 35.03 34.64 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 -0.01 2.78 0.00 -5.58 6.94 -1.26 -4.91 115.26 113.22 1hra n ASN 49 Ca 0.07 -3.58 0.00 0.00 -0.02 0.00 0.00 54.58 51.04 1hra n ASN 49 Cb 0.15 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.13 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 0.00 0.00 -3.01 0.00 0.31 -0.01 -4.85 118.33 110.76 1hra n VAL 51 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1hra n VAL 51 Cb 0.00 -0.14 0.01 0.00 -0.91 0.00 0.00 33.84 32.80 1hra n VAL 51 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1hra n ILE 52 N -0.57 -1.90 0.00 2.52 -0.00 -1.26 -4.92 119.36 113.23 1hra n ILE 52 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.76 1hra n ILE 52 Cb 0.00 -1.71 0.00 0.00 -0.00 0.00 0.00 39.64 37.93 1hra n ILE 52 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1hra n ASN 53 N -0.83 0.00 -0.00 7.28 2.04 -1.25 -2.84 115.26 119.65 1hra n ASN 53 Ca -0.15 0.00 0.01 0.00 -0.44 0.00 0.00 54.58 54.00 1hra n ASN 53 Cb 0.39 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.63 1hra n ASN 53 CO 0.00 0.00 0.00 2.29 -0.44 0.00 0.00 177.26 179.11 1hra n LYS 54 N 0.00 4.85 -3.23 -3.83 -0.00 -1.26 -1.72 118.16 112.96 1hra n LYS 54 Ca 0.00 -0.01 -0.38 0.00 -0.00 0.00 0.00 58.31 57.92 1hra n LYS 54 Cb 0.00 -0.71 -0.02 0.00 -0.00 0.00 0.00 35.03 34.29 1hra n LYS 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1hra n VAL 55 N -1.17 4.21 -4.53 0.58 0.31 -1.26 -4.92 118.33 111.54 1hra n VAL 55 Ca 0.00 -5.59 -0.25 0.00 -0.01 0.00 0.00 64.34 58.49 1hra n VAL 55 Cb 0.04 -2.18 -0.10 0.00 -0.91 0.00 0.00 33.84 30.70 1hra n VAL 55 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1hra s THR 56 N -2.37 1.18 0.06 2.52 -1.32 -1.26 -4.91 115.64 109.54 1hra s THR 56 Ca 0.33 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 1hra s THR 56 Cb 0.04 -2.65 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 1hra s THR 56 CO 0.03 0.00 0.00 -2.11 -2.21 0.00 0.00 174.62 170.33 1hra n ARG 57 N -0.86 -2.82 -3.62 7.08 1.85 -1.26 -4.95 116.66 112.08 1hra n ARG 57 Ca -0.06 2.01 -0.28 0.00 -1.00 0.00 0.00 57.85 58.52 1hra n ARG 57 Cb 0.66 -2.60 0.05 0.00 -1.05 0.00 0.00 32.46 29.52 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 1.85 -5.17 -4.32 2.89 4.13 -1.26 -5.02 115.26 108.35 1hra n ASN 58 Ca 0.00 -0.96 -0.31 0.00 1.68 0.00 0.00 54.58 54.99 1hra n ASN 58 Cb 0.00 -3.69 -0.16 0.00 -1.54 0.00 0.00 39.78 34.40 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 -5.75 2.01 0.28 3.52 6.06 -1.26 -0.83 118.95 122.97 1hra s ARG 59 Ca 0.44 -0.99 -0.15 0.00 -2.50 0.00 0.00 55.73 52.52 1hra s ARG 59 Cb -0.14 -2.02 0.01 0.00 0.06 0.00 0.00 34.95 32.86 1hra s ARG 59 CO 0.84 0.54 0.59 0.00 -2.50 0.00 0.00 175.30 174.78 1hra n GLN 61 N -0.43 0.00 -0.34 0.00 -0.00 -1.26 -4.34 117.38 111.00 1hra n GLN 61 Ca -0.03 0.35 0.15 0.00 -0.00 0.00 0.00 57.00 57.47 1hra n GLN 61 Cb 0.61 -0.96 0.34 0.00 -0.00 0.00 0.00 30.24 30.23 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 0.99 -0.00 2.61 5.03 -1.94 0.25 116.97 123.90 1hra h TYR 62 Ca 0.00 0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.38 1hra h TYR 62 Cb 0.00 -0.29 -0.05 0.00 1.55 0.00 0.00 36.73 37.94 1hra h TYR 62 CO 0.03 0.13 -0.36 0.00 -1.32 0.00 0.00 178.16 176.65 1hra n ARG 64 N -5.43 2.64 0.17 0.00 3.00 -0.80 -0.16 116.66 116.09 1hra n ARG 64 Ca -0.05 -2.18 -0.14 0.00 -0.01 0.00 0.00 57.85 55.47 1hra n ARG 64 Cb 0.34 -1.37 -0.08 0.00 0.00 0.00 0.00 32.46 31.35 1hra n ARG 64 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1hra h LEU 65 N 1.08 -0.35 0.03 0.55 -0.00 -0.26 -3.03 115.31 113.33 1hra h LEU 65 Ca 0.00 -0.09 -0.24 0.00 -0.00 0.00 0.00 57.88 57.55 1hra h LEU 65 Cb 0.88 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.62 1hra h LEU 65 CO 0.05 -0.11 -1.09 1.56 -0.00 0.00 0.00 178.44 178.85 1hra h GLN 66 N -0.57 0.13 0.09 1.13 7.50 -0.57 0.54 115.11 123.35 1hra h GLN 66 Ca -0.04 -0.22 -0.26 0.00 0.50 0.00 0.00 58.65 58.63 1hra h GLN 66 Cb 0.42 0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.03 1hra h GLN 66 CO 0.07 1.09 -1.14 -0.22 -1.50 0.00 0.00 178.83 177.13 1hra h LYS 67 N 0.04 0.30 -0.44 1.46 3.64 -0.75 -1.73 116.57 119.09 1hra h LYS 67 Ca -0.07 -0.43 -0.09 0.00 -1.27 0.00 0.00 60.65 58.79 1hra h LYS 67 Cb 1.83 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.78 1hra h LYS 67 CO 0.16 1.17 -0.08 0.00 -2.27 0.00 0.00 179.45 178.43 1hra h PHE 69 N 0.70 0.00 -0.10 0.00 0.04 0.10 -1.15 116.94 116.52 1hra h PHE 69 Ca 0.12 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.92 1hra h PHE 69 Cb 0.55 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.69 1hra h PHE 69 CO 0.03 0.00 0.31 0.93 -0.60 0.00 0.00 178.31 178.97 1hra h GLU 70 N 0.00 0.00 -1.91 1.51 5.08 -0.86 0.29 114.58 118.69 1hra h GLU 70 Ca 0.18 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.93 1hra h GLU 70 Cb 0.97 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.81 1hra h GLU 70 CO -0.00 0.00 -0.52 0.28 -1.00 0.00 0.00 179.01 177.77 1hra n VAL 71 N -3.19 2.91 0.00 3.13 0.31 -0.43 -5.02 118.33 116.04 1hra n VAL 71 Ca 0.00 -5.24 0.00 0.00 -0.01 0.00 0.00 64.34 59.09 1hra n VAL 71 Cb 0.39 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 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 -0.36 0.00 3.81 2.92 0.00 0.09 -4.52 105.19 107.13 1hra n GLY 72 Ca 0.37 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 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 4.35 -0.82 1.61 -1.94 -1.26 -4.69 119.30 116.54 1hra s MET 73 Ca 0.00 1.15 0.02 0.00 -1.71 0.00 0.00 55.69 55.15 1hra s MET 73 Cb 0.00 -2.47 0.32 0.00 2.01 0.00 0.00 34.83 34.69 1hra s MET 73 CO 0.00 0.12 1.34 0.43 -0.01 0.00 0.00 175.02 176.90 1hra n SER 74 N -0.10 5.77 -4.31 3.03 7.64 -1.23 -3.87 113.62 120.57 1hra n SER 74 Ca 0.04 -3.63 -0.46 0.00 1.01 0.00 0.00 58.87 55.84 1hra n SER 74 Cb 0.52 -0.90 -0.05 0.00 -1.01 0.00 0.00 64.21 62.77 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 -3.61 2.99 0.00 1.43 -0.14 -1.26 -4.94 119.74 114.21 1hra s LYS 75 Ca 0.42 -1.75 0.00 0.00 -1.36 0.00 0.00 55.97 53.28 1hra s LYS 75 Cb 0.20 -4.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.07 1hra s LYS 75 CO -0.09 -1.32 0.00 -1.91 -0.76 0.00 0.00 175.35 171.27 1hra n GLU 76 N 5.16 0.00 -3.53 1.68 4.07 -1.25 -4.75 120.64 122.02 1hra n GLU 76 Ca -0.12 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.58 1hra n GLU 76 Cb 0.40 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.74 1hra n GLU 76 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1hra s SER 77 N -0.13 6.47 -0.19 4.31 1.04 -1.26 -5.02 113.70 118.92 1hra s SER 77 Ca 0.00 -3.66 -0.04 0.00 0.48 0.00 0.00 55.95 52.73 1hra s SER 77 Cb 0.00 -2.02 -0.02 0.00 0.10 0.00 0.00 66.02 64.08 1hra s SER 77 CO 0.00 -0.23 -0.03 0.54 0.98 0.00 0.00 173.24 174.51 1hra s VAL 78 N -1.29 3.71 -0.80 5.02 0.11 -1.26 -0.58 120.40 125.31 1hra s VAL 78 Ca 0.28 -0.40 0.02 0.00 -2.93 0.00 0.00 61.98 58.96 1hra s VAL 78 Cb -0.08 -2.66 0.31 0.00 -1.53 0.00 0.00 36.38 32.41 1hra s VAL 78 CO -0.11 0.44 1.21 0.54 -3.33 0.00 0.00 175.10 173.86 1hra n ARG 79 N 4.23 3.84 0.00 1.54 1.74 -1.26 -3.07 116.66 123.68 1hra n ARG 79 Ca -0.17 -4.72 0.00 0.00 -0.77 0.00 0.00 57.85 52.19 1hra n ARG 79 Cb 0.52 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 1hra n ARG 79 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38