#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 -0.10 2.12 -0.02 -1.26 -2.37 135.00 133.37 1hra n PRO 2 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.29 1hra n PRO 2 Cb 0.00 -0.16 -0.12 0.00 -0.02 0.00 0.00 33.50 33.20 1hra n PRO 2 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1hra n ARG 3 N 0.87 0.67 0.00 -0.52 3.00 -1.26 -4.66 116.66 114.76 1hra n ARG 3 Ca 0.07 0.19 0.00 0.00 -0.01 0.00 0.00 57.85 58.09 1hra n ARG 3 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 30.89 1hra n ARG 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1hra n VAL 4 N -3.37 0.00 -3.96 1.55 3.14 -1.00 -4.97 118.33 109.71 1hra n VAL 4 Ca -0.43 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 60.67 1hra n VAL 4 Cb 1.00 -0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 33.61 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 0.67 1.87 0.00 1.45 1.13 -1.26 -2.42 117.35 118.79 1hra s TYR 5 Ca 0.00 -1.02 0.00 0.00 -1.41 0.00 0.00 57.07 54.64 1hra s TYR 5 Cb 0.00 -1.43 0.00 0.00 -1.10 0.00 0.00 41.96 39.43 1hra s TYR 5 CO 0.00 -0.60 0.01 0.36 -2.51 0.00 0.00 175.55 172.81 1hra n LYS 6 N 4.85 0.00 -0.49 -3.49 0.00 -1.26 -1.93 118.16 115.84 1hra n LYS 6 Ca -0.15 0.01 -0.05 0.00 -0.00 0.00 0.00 58.31 58.13 1hra n LYS 6 Cb 0.50 -0.02 -0.07 0.00 -0.00 0.00 0.00 35.03 35.44 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 -0.67 0.99 -0.03 -1.58 -0.02 -1.25 0.81 135.00 133.25 1hra n PRO 7 Ca 0.00 -0.39 -0.14 0.00 -2.02 0.00 0.00 63.50 60.95 1hra n PRO 7 Cb 0.00 -1.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.75 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 -3.18 0.95 0.00 0.00 7.35 0.40 -2.86 117.46 120.11 1hra n PHE 9 Ca -0.25 -0.34 0.00 0.00 -0.76 0.00 0.00 57.45 56.09 1hra n PHE 9 Cb 1.06 -0.24 0.00 0.00 0.35 0.00 0.00 39.48 40.64 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 0.38 0.00 -3.88 -2.13 0.31 -1.26 -4.61 118.33 107.14 1hra n VAL 10 Ca 0.14 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.18 1hra n VAL 10 Cb 0.64 -0.22 -0.12 0.00 -0.91 0.00 0.00 33.84 33.24 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 2.10 1.57 -3.13 0.00 -0.06 -1.25 -4.71 117.38 111.90 1hra n GLN 12 Ca 0.19 -2.78 0.00 0.00 -2.00 0.00 0.00 57.00 52.40 1hra n GLN 12 Cb 0.35 -0.95 0.00 0.00 -4.06 0.00 0.00 30.24 25.58 1hra n GLN 12 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1hra n ASP 13 N -0.83 0.00 -3.12 1.69 5.75 0.24 -4.09 116.55 116.19 1hra n ASP 13 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1hra n ASP 13 Cb 0.83 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.92 1hra n ASP 13 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1hra n LYS 14 N -1.00 -0.42 -0.54 0.11 -0.00 -1.26 -3.91 118.16 111.13 1hra n LYS 14 Ca 0.00 0.83 0.00 0.00 -0.00 0.00 0.00 58.31 59.14 1hra n LYS 14 Cb 0.00 -0.93 0.00 0.00 -0.00 0.00 0.00 35.03 34.10 1hra n LYS 14 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1hra n SER 15 N 1.51 0.00 0.00 -5.58 7.64 -1.26 -4.55 113.62 111.38 1hra n SER 15 Ca 0.00 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.58 1hra n SER 15 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1hra n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1hra n SER 16 N -0.78 0.00 -1.08 6.43 3.41 -1.18 -4.88 113.62 115.53 1hra n SER 16 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1hra n SER 16 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.21 -2.09 3.93 5.00 0.00 -1.26 -4.61 105.19 104.94 1hra n GLY 17 Ca 0.00 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 3.48 0.28 1.61 1.51 -1.26 -4.98 117.35 117.99 1hra s TYR 18 Ca 0.00 0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.24 1hra s TYR 18 Cb 0.00 -1.69 -0.06 0.00 -0.11 0.00 0.00 41.96 40.11 1hra s TYR 18 CO 0.00 0.54 0.04 -1.01 -1.11 0.00 0.00 175.55 174.01 1hra s HIS 19 N -1.67 1.73 0.00 2.71 3.76 -1.26 -5.02 115.29 115.54 1hra s HIS 19 Ca 0.34 -0.98 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1hra s HIS 19 Cb -0.12 -1.06 0.00 0.00 1.11 0.00 0.00 32.58 32.52 1hra s HIS 19 CO 0.28 -0.07 0.00 2.48 -0.85 0.00 0.00 174.74 176.58 1hra n TYR 20 N -0.54 0.00 0.00 1.40 0.18 -1.26 -3.50 117.16 113.44 1hra n TYR 20 Ca -0.03 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.75 1hra n TYR 20 Cb 0.65 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.61 1hra n TYR 20 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1hra n GLY 21 N 0.00 2.94 2.57 -7.48 0.00 -1.26 -3.01 105.19 98.95 1hra n GLY 21 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.80 1.61 3.14 -1.23 -4.91 118.33 112.70 1hra n VAL 22 Ca 0.00 -1.58 -0.36 0.00 -2.96 0.00 0.00 64.34 59.43 1hra n VAL 22 Cb 0.00 0.09 -0.13 0.00 -1.06 0.00 0.00 33.84 32.74 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 -3.07 5.04 0.25 6.55 0.15 -1.26 -4.56 113.70 116.80 1hra s SER 23 Ca 0.10 -0.22 0.11 0.00 0.70 0.00 0.00 55.95 56.64 1hra s SER 23 Cb -0.01 -1.90 -0.05 0.00 -1.71 0.00 0.00 66.02 62.36 1hra s SER 23 CO 0.06 -0.02 -0.14 0.00 1.20 0.00 0.00 173.24 174.35 1hra s ALA 24 N 1.52 2.86 -1.44 5.45 0.00 -0.48 -0.46 121.76 129.22 1hra s ALA 24 Ca 0.06 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1hra s ALA 24 Cb -0.15 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1hra s ALA 24 CO 0.03 0.32 0.57 0.00 0.00 0.00 0.00 175.76 176.67 1hra n GLU 26 N -0.16 0.00 -0.35 0.00 0.28 -1.26 -3.85 120.64 115.30 1hra n GLU 26 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 1hra n GLU 26 Cb 0.11 -0.16 0.22 0.00 1.43 0.00 0.00 31.44 33.04 1hra n GLU 26 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1hra h GLY 27 N 0.00 1.57 1.05 -1.84 0.00 -1.90 -2.01 103.07 99.93 1hra h GLY 27 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 1hra h GLY 27 CO 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 176.54 176.70 1hra h LYS 29 N 0.84 1.20 0.33 0.00 5.09 -1.80 0.16 116.57 122.40 1hra h LYS 29 Ca 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 60.65 60.78 1hra h LYS 29 Cb 0.55 -0.25 -0.01 0.00 0.10 0.00 0.00 32.23 32.62 1hra h LYS 29 CO 0.03 0.84 -0.25 0.78 -2.09 0.00 0.00 179.45 178.76 1hra h GLY 30 N 1.23 -0.61 0.08 0.07 0.00 -0.96 -2.29 103.07 100.60 1hra h GLY 30 Ca 0.32 0.28 0.24 0.00 0.00 0.00 0.00 47.33 48.16 1hra h GLY 30 CO -0.06 -0.24 0.64 -2.75 0.00 0.00 0.00 176.54 174.14 1hra h PHE 31 N -0.58 0.55 0.19 5.60 3.04 -0.23 0.26 116.94 125.77 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 0.50 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1hra h PHE 31 CO -0.13 0.10 -0.09 0.35 -2.02 0.00 0.00 178.31 176.53 1hra h PHE 32 N 0.38 -0.23 -0.29 0.41 3.57 -0.12 0.94 116.94 121.59 1hra h PHE 32 Ca 0.53 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.94 1hra h PHE 32 Cb 1.37 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.18 1hra h PHE 32 CO -0.00 0.18 -0.15 0.07 -2.23 0.00 0.00 178.31 176.17 1hra h ARG 33 N -0.81 0.51 0.16 1.11 -0.00 -1.40 1.00 114.38 114.94 1hra h ARG 33 Ca -0.03 -0.16 0.01 0.00 -0.00 0.00 0.00 59.98 59.80 1hra h ARG 33 Cb 0.52 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.97 30.42 1hra h ARG 33 CO 0.04 0.66 -0.18 -0.09 -0.00 0.00 0.00 179.97 180.40 1hra h ARG 34 N 0.47 -0.37 0.22 0.08 2.43 -0.52 -0.49 114.38 116.20 1hra h ARG 34 Ca 0.08 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1hra h ARG 34 Cb 0.54 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1hra h ARG 34 CO 0.03 -0.25 -0.11 0.77 -1.51 0.00 0.00 179.97 178.91 1hra h SER 35 N -0.38 -0.25 -0.02 -3.80 0.02 -0.77 -1.12 113.55 107.23 1hra h SER 35 Ca 0.01 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1hra h SER 35 Cb 0.37 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1hra h SER 35 CO -0.06 -0.09 0.01 0.40 -1.14 0.00 0.00 176.83 175.95 1hra h ILE 36 N -0.47 1.04 -0.56 3.27 2.04 -0.80 0.33 117.51 122.36 1hra h ILE 36 Ca -0.03 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 1hra h ILE 36 Cb 0.23 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1hra h ILE 36 CO 0.05 0.03 -0.05 -0.61 0.00 0.00 0.00 178.15 177.57 1hra h GLN 37 N -0.02 1.01 0.00 2.37 4.15 -0.99 -3.41 115.11 118.23 1hra h GLN 37 Ca 0.01 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1hra h GLN 37 Cb 0.04 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1hra h GLN 37 CO -0.00 1.02 -0.55 0.36 -1.93 0.00 0.00 178.83 177.72 1hra n LYS 38 N -4.17 0.00 -2.53 1.69 2.85 -1.09 -4.23 118.16 110.69 1hra n LYS 38 Ca 0.02 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.06 1hra n LYS 38 Cb 0.37 -0.33 0.01 0.00 -0.65 0.00 0.00 35.03 34.42 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 -2.70 3.83 -4.69 -5.58 0.23 0.89 -5.03 115.26 102.22 1hra n ASN 39 Ca 0.00 -3.45 -0.34 0.00 -0.53 0.00 0.00 54.58 50.26 1hra n ASN 39 Cb 0.28 -0.48 -0.09 0.00 -2.08 0.00 0.00 39.78 37.41 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 -3.43 2.94 0.06 -3.83 0.23 0.34 -4.44 119.30 111.16 1hra s MET 40 Ca 0.42 -0.46 0.00 0.00 -1.03 0.00 0.00 55.69 54.63 1hra s MET 40 Cb 0.42 -2.77 0.00 0.00 -1.53 0.00 0.00 34.83 30.95 1hra s MET 40 CO -0.13 0.68 0.00 -0.89 -2.03 0.00 0.00 175.02 172.66 1hra n ILE 41 N 1.93 0.51 -3.18 3.16 2.08 -1.26 -5.00 119.36 117.60 1hra n ILE 41 Ca -0.17 0.17 0.05 0.00 0.56 0.00 0.00 62.75 63.35 1hra n ILE 41 Cb 0.53 -1.14 -0.03 0.00 -0.75 0.00 0.00 39.64 38.25 1hra n ILE 41 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 1hra s TYR 42 N -1.48 -0.14 -0.40 1.39 1.13 -1.26 -5.17 117.35 111.42 1hra s TYR 42 Ca 0.00 0.20 0.04 0.00 -1.41 0.00 0.00 57.07 55.90 1hra s TYR 42 Cb 0.00 0.07 0.16 0.00 -1.10 0.00 0.00 41.96 41.09 1hra s TYR 42 CO 0.00 -0.08 0.40 0.99 -2.51 0.00 0.00 175.55 174.36 1hra s THR 43 N 2.52 -0.19 -0.12 -3.49 2.01 -1.26 -4.69 115.64 110.41 1hra s THR 43 Ca -0.04 -1.55 0.02 0.00 0.31 0.00 0.00 61.69 60.43 1hra s THR 43 Cb -0.05 -0.78 -0.24 0.00 0.01 0.00 0.00 72.50 71.45 1hra s THR 43 CO -0.12 -0.73 0.35 0.00 -0.69 0.00 0.00 174.62 173.43 1hra s HIS 45 N -2.56 3.33 0.00 0.00 3.76 -1.26 -0.29 115.29 118.27 1hra s HIS 45 Ca -0.18 0.34 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 1hra s HIS 45 Cb 0.07 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 31.43 1hra s HIS 45 CO 0.77 0.05 0.00 0.54 -0.85 0.00 0.00 174.74 175.25 1hra n ARG 46 N 4.31 0.00 -4.38 1.40 1.74 -1.26 -1.27 116.66 117.20 1hra n ARG 46 Ca -0.13 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.67 1hra n ARG 46 Cb 0.52 -0.16 -0.12 0.00 -1.02 0.00 0.00 32.46 31.68 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 -2.10 3.57 -0.39 0.55 1.47 -1.26 -4.87 116.67 113.64 1hra s ASP 47 Ca 0.00 -0.76 0.01 0.00 1.18 0.00 0.00 52.55 52.98 1hra s ASP 47 Cb 0.00 -0.35 0.40 0.00 -0.34 0.00 0.00 42.92 42.63 1hra s ASP 47 CO 0.00 0.14 1.83 2.29 0.68 0.00 0.00 175.17 180.11 1hra n LYS 48 N 0.47 2.03 -0.02 2.11 2.85 -1.26 -2.01 118.16 122.33 1hra n LYS 48 Ca -0.14 -2.21 -0.04 0.00 -1.05 0.00 0.00 58.31 54.87 1hra n LYS 48 Cb 0.55 -1.87 -0.02 0.00 -0.65 0.00 0.00 35.03 33.04 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 -0.44 3.08 0.00 -5.58 6.94 -1.26 -5.01 115.26 112.99 1hra n ASN 49 Ca 0.43 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.98 1hra n ASN 49 Cb 0.98 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 38.32 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 -0.07 0.09 -1.56 0.00 0.31 -1.25 -5.05 118.33 110.80 1hra n VAL 51 Ca 0.00 -0.08 -0.13 0.00 -0.01 0.00 0.00 64.34 64.12 1hra n VAL 51 Cb 0.00 -0.38 -0.08 0.00 -0.91 0.00 0.00 33.84 32.47 1hra n VAL 51 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1hra n ILE 52 N -1.88 0.00 0.00 2.52 2.08 -1.26 -4.83 119.36 115.98 1hra n ILE 52 Ca -0.02 -0.39 0.00 0.00 0.56 0.00 0.00 62.75 62.90 1hra n ILE 52 Cb 0.37 -2.00 0.00 0.00 -0.75 0.00 0.00 39.64 37.26 1hra n ILE 52 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1hra n ASN 53 N 19.11 0.00 -0.00 4.38 0.23 -1.26 -4.62 115.26 133.10 1hra n ASN 53 Ca 0.46 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.53 1hra n ASN 53 Cb 0.44 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.11 1hra n ASN 53 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1hra n LYS 54 N 0.00 4.80 -3.28 -3.83 2.85 -1.26 -4.66 118.16 112.77 1hra n LYS 54 Ca 0.00 -0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.90 1hra n LYS 54 Cb 0.00 -0.78 -0.04 0.00 -0.65 0.00 0.00 35.03 33.56 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 -1.18 3.76 -4.04 0.58 0.31 -1.26 -4.93 118.33 111.56 1hra n VAL 55 Ca 0.01 -5.51 -0.02 0.00 -0.01 0.00 0.00 64.34 58.81 1hra n VAL 55 Cb 0.09 -2.14 -0.01 0.00 -0.91 0.00 0.00 33.84 30.87 1hra n VAL 55 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1hra n THR 56 N 1.31 0.00 0.00 2.52 5.66 -1.26 -4.97 114.28 117.55 1hra n THR 56 Ca 0.27 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1hra n THR 56 Cb 0.37 0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1hra n THR 56 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1hra n ARG 57 N -0.08 0.00 -3.60 1.09 1.85 -1.26 -4.99 116.66 109.67 1hra n ARG 57 Ca -0.01 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.60 1hra n ARG 57 Cb 0.04 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 31.50 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 0.12 -4.21 -4.41 2.89 4.13 -1.26 -5.12 115.26 107.41 1hra n ASN 58 Ca 0.00 -0.89 -0.33 0.00 1.68 0.00 0.00 54.58 55.05 1hra n ASN 58 Cb 0.00 -4.00 -0.14 0.00 -1.54 0.00 0.00 39.78 34.11 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 -5.63 2.97 0.30 3.52 3.03 -1.26 -3.93 118.95 117.95 1hra s ARG 59 Ca 0.31 -0.70 0.02 0.00 2.03 0.00 0.00 55.73 57.39 1hra s ARG 59 Cb -0.09 -2.50 -0.02 0.00 -1.03 0.00 0.00 34.95 31.31 1hra s ARG 59 CO 0.82 0.39 0.30 0.00 -1.13 0.00 0.00 175.30 175.68 1hra n GLN 61 N -0.52 0.00 -0.29 0.00 6.02 -0.40 -4.01 117.38 118.17 1hra n GLN 61 Ca 0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.16 1hra n GLN 61 Cb 0.63 0.00 0.28 0.00 1.02 0.00 0.00 30.24 32.16 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 0.31 -0.86 1.08 5.03 -0.94 0.31 116.97 121.91 1hra h TYR 62 Ca 0.00 0.05 0.16 0.00 2.58 0.00 0.00 58.73 61.52 1hra h TYR 62 Cb 0.00 0.00 -0.16 0.00 1.55 0.00 0.00 36.73 38.13 1hra h TYR 62 CO 0.00 -0.21 -0.29 0.00 -1.32 0.00 0.00 178.16 176.34 1hra n ARG 64 N -5.52 3.35 -0.02 0.00 5.12 0.25 -0.86 116.66 118.98 1hra n ARG 64 Ca 0.11 -0.09 -0.09 0.00 -1.93 0.00 0.00 57.85 55.85 1hra n ARG 64 Cb 0.42 -1.01 -0.04 0.00 -1.16 0.00 0.00 32.46 30.67 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 0.17 -0.11 0.12 0.55 -0.00 -0.03 -1.42 115.31 114.59 1hra h LEU 65 Ca 0.00 0.04 -0.27 0.00 -0.00 0.00 0.00 57.88 57.65 1hra h LEU 65 Cb 0.26 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1hra h LEU 65 CO 0.00 -0.03 -1.26 1.56 -0.00 0.00 0.00 178.44 178.71 1hra h GLN 66 N 0.02 0.25 -0.17 1.13 7.50 -0.51 0.68 115.11 124.01 1hra h GLN 66 Ca 0.07 -0.43 -0.18 0.00 0.50 0.00 0.00 58.65 58.61 1hra h GLN 66 Cb 0.10 0.16 -0.00 0.00 0.05 0.00 0.00 27.48 27.79 1hra h GLN 66 CO -0.15 1.19 -0.63 -0.22 -1.50 0.00 0.00 178.83 177.53 1hra h LYS 67 N 0.07 0.61 -0.69 1.46 3.64 -1.11 -1.75 116.57 118.80 1hra h LYS 67 Ca -0.14 -0.43 -0.07 0.00 -1.27 0.00 0.00 60.65 58.75 1hra h LYS 67 Cb 1.97 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.82 1hra h LYS 67 CO 0.20 1.05 0.17 0.00 -2.27 0.00 0.00 179.45 178.59 1hra h PHE 69 N 1.04 0.00 -0.16 0.00 0.04 0.43 -0.71 116.94 117.58 1hra h PHE 69 Ca 0.22 0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.04 1hra h PHE 69 Cb 0.36 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1hra h PHE 69 CO 0.03 0.00 0.28 0.93 -0.60 0.00 0.00 178.31 178.95 1hra h GLU 70 N 0.00 0.00 -1.85 1.51 5.08 -0.84 -0.42 114.58 118.05 1hra h GLU 70 Ca 0.16 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.91 1hra h GLU 70 Cb 0.91 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.75 1hra h GLU 70 CO -0.00 0.00 -0.54 0.28 -1.00 0.00 0.00 179.01 177.75 1hra n VAL 71 N -3.42 2.83 0.00 3.13 0.31 -0.27 -5.02 118.33 115.89 1hra n VAL 71 Ca 0.01 -5.18 0.00 0.00 -0.01 0.00 0.00 64.34 59.16 1hra n VAL 71 Cb 0.39 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 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 -0.38 0.00 3.77 2.92 0.00 -0.17 -4.45 105.19 106.88 1hra n GLY 72 Ca 0.37 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 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 4.25 -0.86 1.61 -1.94 -1.26 -4.73 119.30 116.38 1hra s MET 73 Ca 0.00 2.24 0.01 0.00 -1.71 0.00 0.00 55.69 56.23 1hra s MET 73 Cb 0.00 -3.00 0.30 0.00 2.01 0.00 0.00 34.83 34.15 1hra s MET 73 CO 0.00 -0.28 1.29 0.43 -0.01 0.00 0.00 175.02 176.45 1hra n SER 74 N 0.63 5.66 -4.32 3.03 7.64 -1.16 -4.23 113.62 120.85 1hra n SER 74 Ca 0.01 -3.55 -0.46 0.00 1.01 0.00 0.00 58.87 55.88 1hra n SER 74 Cb 0.42 -0.96 -0.04 0.00 -1.01 0.00 0.00 64.21 62.62 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 -3.27 3.11 0.00 1.43 -0.14 -1.26 -4.93 119.74 114.68 1hra s LYS 75 Ca 0.39 -1.81 0.00 0.00 -1.36 0.00 0.00 55.97 53.18 1hra s LYS 75 Cb 0.16 -4.33 0.00 0.00 -1.68 0.00 0.00 37.83 31.98 1hra s LYS 75 CO -0.03 -1.34 0.00 -1.91 -0.76 0.00 0.00 175.35 171.31 1hra n GLU 76 N 5.12 0.00 -3.40 1.68 4.07 -1.26 -4.77 120.64 122.08 1hra n GLU 76 Ca -0.08 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.63 1hra n GLU 76 Cb 0.41 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.76 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 4.97 -4.32 4.31 3.41 -1.26 -5.03 113.62 115.70 1hra n SER 77 Ca 0.00 -3.22 -0.35 0.00 -0.26 0.00 0.00 58.87 55.04 1hra n SER 77 Cb 0.00 -1.12 -0.14 0.00 -0.26 0.00 0.00 64.21 62.69 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 -1.85 3.50 -0.15 -3.33 0.11 -1.26 -1.76 120.40 115.66 1hra s VAL 78 Ca 0.31 -0.48 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1hra s VAL 78 Cb -0.02 -2.61 0.01 0.00 -1.53 0.00 0.00 36.38 32.22 1hra s VAL 78 CO -0.05 0.39 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.78 1hra s ARG 79 N 1.49 3.08 0.00 1.54 0.52 -1.26 -3.02 118.95 121.30 1hra s ARG 79 Ca 0.05 -0.82 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1hra s ARG 79 Cb -0.15 -2.51 0.02 0.00 0.52 0.00 0.00 34.95 32.83 1hra s ARG 79 CO -0.02 -0.03 0.57 0.27 0.02 0.00 0.00 175.30 176.11