#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gtf s ASP 8 N 0.00 4.66 0.14 6.43 1.01 -1.26 -4.86 116.67 122.79 1gtf s ASP 8 Ca 0.00 1.70 -0.01 0.00 0.71 0.00 0.00 52.55 54.95 1gtf s ASP 8 Cb 0.00 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 1gtf s ASP 8 CO 0.00 -1.92 0.07 0.72 0.21 0.00 0.00 175.17 174.26 1gtf s PHE 9 N -2.96 0.91 0.06 4.23 -0.12 -1.26 -2.21 117.98 116.62 1gtf s PHE 9 Ca 0.60 -1.25 0.07 0.00 -0.05 0.00 0.00 56.93 56.30 1gtf s PHE 9 Cb -0.16 -0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 41.71 1gtf s PHE 9 CO 0.56 -0.55 -0.20 0.14 -0.05 0.00 0.00 175.22 175.12 1gtf s VAL 10 N -4.07 1.64 -0.14 -2.49 -7.23 -0.13 -4.61 120.40 103.37 1gtf s VAL 10 Ca 0.27 -1.26 -0.02 0.00 -1.81 0.00 0.00 61.98 59.16 1gtf s VAL 10 Cb 0.07 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 1gtf s VAL 10 CO 0.04 0.13 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.18 1gtf s VAL 11 N -0.89 3.39 -0.13 1.32 1.01 -0.22 -1.34 120.40 123.55 1gtf s VAL 11 Ca 0.07 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1gtf s VAL 11 Cb -0.09 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.86 1gtf s VAL 11 CO 0.02 0.51 -0.15 -0.63 0.00 0.00 0.00 175.10 174.86 1gtf s ILE 12 N 0.33 1.55 -0.21 2.22 1.01 0.09 -0.87 121.20 125.31 1gtf s ILE 12 Ca -0.08 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 1gtf s ILE 12 Cb -0.15 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 1gtf s ILE 12 CO 0.05 0.45 0.00 -0.75 0.00 0.00 0.00 174.94 174.69 1gtf s LYS 13 N 1.22 3.60 0.09 2.79 2.20 0.34 -1.33 119.74 128.65 1gtf s LYS 13 Ca -0.01 -0.53 -0.31 0.00 -0.36 0.00 0.00 55.97 54.76 1gtf s LYS 13 Cb -0.14 -3.10 -0.07 0.00 -1.51 0.00 0.00 37.83 33.01 1gtf s LYS 13 CO -0.06 -0.03 1.31 0.00 -0.36 0.00 0.00 175.35 176.21 1gtf s ALA 14 N 1.12 3.51 -2.44 3.13 0.00 -0.59 -1.26 121.76 125.23 1gtf s ALA 14 Ca 0.03 1.00 0.20 0.00 0.00 0.00 0.00 51.96 53.19 1gtf s ALA 14 Cb -0.14 -3.50 0.16 0.00 0.00 0.00 0.00 23.12 19.63 1gtf s ALA 14 CO 0.01 -0.54 1.12 1.28 0.00 0.00 0.00 175.76 177.64 1gtf n LEU 15 N 3.96 2.65 -3.91 0.00 4.77 0.37 -0.19 117.00 124.65 1gtf n LEU 15 Ca 0.10 -1.01 -0.09 0.00 -0.03 0.00 0.00 56.01 54.99 1gtf n LEU 15 Cb 0.44 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1gtf n LEU 15 CO 0.57 0.46 0.27 -1.83 -1.33 0.00 0.00 177.39 175.53 1gtf s GLU 16 N -1.63 1.57 0.55 3.23 -1.05 -1.22 -4.90 118.70 115.26 1gtf s GLU 16 Ca 0.23 -1.10 -0.19 0.00 -0.15 0.00 0.00 54.97 53.76 1gtf s GLU 16 Cb 0.16 0.52 -0.06 0.00 -0.44 0.00 0.00 34.13 34.31 1gtf s GLU 16 CO 0.25 -0.67 1.10 -0.51 0.95 0.00 0.00 175.26 176.37 1gtf s ASP 17 N -2.96 5.79 -0.50 0.83 1.01 -1.26 -3.21 116.67 116.38 1gtf s ASP 17 Ca 0.16 2.07 0.00 0.00 0.71 0.00 0.00 52.55 55.50 1gtf s ASP 17 Cb -0.02 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1gtf s ASP 17 CO 0.06 -1.17 0.00 0.61 0.21 0.00 0.00 175.17 174.88 1gtf n GLY 18 N -0.09 0.26 3.76 0.21 0.00 -0.96 -4.89 105.19 103.48 1gtf n GLY 18 Ca 0.11 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1gtf n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gtf s VAL 19 N -2.26 3.03 -0.15 1.61 1.01 -0.41 -4.82 120.40 118.41 1gtf s VAL 19 Ca 0.00 1.03 -0.00 0.00 0.00 0.00 0.00 61.98 63.01 1gtf s VAL 19 Cb 0.00 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1gtf s VAL 19 CO 0.00 0.24 -0.13 0.20 0.00 0.00 0.00 175.10 175.41 1gtf s ASN 20 N -0.60 3.87 -0.24 3.32 0.01 0.03 -0.12 114.94 121.21 1gtf s ASN 20 Ca 0.48 -0.40 -0.05 0.00 -0.71 0.00 0.00 52.86 52.18 1gtf s ASN 20 Cb -0.37 -1.60 -0.00 0.00 0.41 0.00 0.00 41.25 39.69 1gtf s ASN 20 CO 0.48 0.11 0.00 -0.69 -1.51 0.00 0.00 177.10 175.49 1gtf s VAL 21 N 0.66 3.62 -0.13 1.60 1.01 -0.30 -1.30 120.40 125.57 1gtf s VAL 21 Ca -0.07 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1gtf s VAL 21 Cb -0.16 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1gtf s VAL 21 CO 0.02 0.31 -0.17 -0.63 0.00 0.00 0.00 175.10 174.64 1gtf s ILE 22 N 1.49 2.68 -0.13 2.22 1.01 0.11 -0.60 121.20 127.98 1gtf s ILE 22 Ca 0.05 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.78 1gtf s ILE 22 Cb -0.15 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 1gtf s ILE 22 CO -0.01 0.53 0.26 -0.83 0.00 0.00 0.00 174.94 174.90 1gtf s GLY 23 N 0.44 2.23 -0.09 6.18 0.00 -0.40 -0.62 107.32 115.07 1gtf s GLY 23 Ca -0.12 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.08 1gtf s GLY 23 CO 0.06 0.18 0.07 1.08 0.00 0.00 0.00 173.10 174.49 1gtf s LEU 24 N -0.13 3.95 0.25 0.66 1.02 0.09 -0.86 118.68 123.66 1gtf s LEU 24 Ca 0.17 0.28 -0.30 0.00 0.02 0.00 0.00 54.13 54.30 1gtf s LEU 24 Cb -0.13 -1.98 -0.10 0.00 0.02 0.00 0.00 46.19 44.00 1gtf s LEU 24 CO 0.05 0.38 1.33 0.42 0.02 0.00 0.00 176.35 178.55 1gtf s THR 25 N -0.98 2.95 0.38 5.49 -4.23 -0.06 -2.40 115.64 116.78 1gtf s THR 25 Ca 0.15 0.84 -0.26 0.00 -1.18 0.00 0.00 61.69 61.24 1gtf s THR 25 Cb -0.12 -3.53 -0.09 0.00 1.34 0.00 0.00 72.50 70.10 1gtf s THR 25 CO 0.05 0.15 1.17 -0.60 -0.54 0.00 0.00 174.62 174.85 1gtf s ARG 26 N -0.68 4.18 0.00 3.99 3.52 -0.76 -4.58 118.95 124.62 1gtf s ARG 26 Ca 0.55 1.86 0.00 0.00 -0.13 0.00 0.00 55.73 58.01 1gtf s ARG 26 Cb -0.38 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1gtf s ARG 26 CO 0.43 -0.22 0.00 0.41 -0.81 0.00 0.00 175.30 175.11 1gtf n GLY 27 N 0.71 0.57 0.21 8.12 0.00 -1.26 -4.79 105.19 108.75 1gtf n GLY 27 Ca 0.03 -2.13 0.06 0.00 0.00 0.00 0.00 46.02 43.98 1gtf n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gtf h ALA 28 N 0.00 1.18 -3.23 4.61 0.00 -2.05 -3.42 119.26 116.35 1gtf h ALA 28 Ca 0.00 -0.28 -0.64 0.00 0.00 0.00 0.00 54.91 53.98 1gtf h ALA 28 Cb 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 1gtf h ALA 28 CO 0.00 0.39 -0.62 -0.51 0.00 0.00 0.00 179.25 178.51 1gtf s ASP 29 N -6.51 5.40 -0.22 0.00 1.01 -1.26 -5.11 116.67 109.98 1gtf s ASP 29 Ca -0.01 -0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.22 1gtf s ASP 29 Cb 0.12 -1.42 0.05 0.00 1.01 0.00 0.00 42.92 42.69 1gtf s ASP 29 CO 0.67 0.19 -0.08 -0.89 0.21 0.00 0.00 175.17 175.28 1gtf s THR 30 N -1.33 1.61 0.19 -1.27 2.01 -1.26 -4.62 115.64 110.96 1gtf s THR 30 Ca 0.27 -1.16 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 1gtf s THR 30 Cb -0.12 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 1gtf s THR 30 CO 0.20 0.01 0.30 0.00 -0.69 0.00 0.00 174.62 174.44 1gtf s ARG 31 N 1.38 1.26 0.04 4.92 1.70 -1.26 -4.94 118.95 122.05 1gtf s ARG 31 Ca -0.04 -1.28 -0.30 0.00 -0.47 0.00 0.00 55.73 53.63 1gtf s ARG 31 Cb -0.18 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 1gtf s ARG 31 CO -0.07 -0.47 1.01 -0.06 -1.08 0.00 0.00 175.30 174.63 1gtf s PHE 32 N -4.02 3.67 -0.17 5.89 0.08 -1.26 -0.88 117.98 121.28 1gtf s PHE 32 Ca 0.23 1.67 0.11 0.00 0.12 0.00 0.00 56.93 59.05 1gtf s PHE 32 Cb 0.03 -3.15 -0.15 0.00 -0.57 0.00 0.00 43.02 39.18 1gtf s PHE 32 CO 0.05 -0.15 0.31 -2.39 -0.10 0.00 0.00 175.22 172.94 1gtf n HIS 33 N 3.56 0.00 -3.62 0.36 1.44 -0.04 -4.91 115.22 112.01 1gtf n HIS 33 Ca 0.05 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.61 1gtf n HIS 33 Cb 0.50 -0.17 -0.07 0.00 0.12 0.00 0.00 29.99 30.37 1gtf n HIS 33 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1gtf s HIS 34 N -2.51 -0.63 -0.11 -1.40 5.65 -1.24 -5.02 115.29 110.02 1gtf s HIS 34 Ca -0.01 1.38 -0.00 0.00 0.25 0.00 0.00 55.06 56.67 1gtf s HIS 34 Cb 0.07 0.28 0.02 0.00 -1.18 0.00 0.00 32.58 31.78 1gtf s HIS 34 CO 0.45 -0.43 -0.08 0.45 -0.65 0.00 0.00 174.74 174.48 1gtf s SER 35 N -0.31 2.18 -0.24 9.88 0.15 -1.26 -1.27 113.70 122.83 1gtf s SER 35 Ca -0.05 -0.31 -0.12 0.00 0.70 0.00 0.00 55.95 56.18 1gtf s SER 35 Cb -0.03 -0.85 -0.05 0.00 -1.71 0.00 0.00 66.02 63.38 1gtf s SER 35 CO 0.04 -0.11 0.21 -0.70 1.20 0.00 0.00 173.24 173.88 1gtf s GLU 36 N 1.67 4.06 -0.10 5.44 2.56 0.23 -4.91 118.70 127.66 1gtf s GLU 36 Ca 0.04 -0.19 -0.20 0.00 0.00 0.00 0.00 54.97 54.62 1gtf s GLU 36 Cb -0.13 -3.56 -0.04 0.00 2.00 0.00 0.00 34.13 32.40 1gtf s GLU 36 CO -0.08 -0.01 0.55 0.21 -0.56 0.00 0.00 175.26 175.38 1gtf s LYS 37 N 1.25 4.37 -0.14 4.30 2.20 -1.26 -1.15 119.74 129.32 1gtf s LYS 37 Ca 0.09 0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 56.28 1gtf s LYS 37 Cb -0.14 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 1gtf s LYS 37 CO 0.06 0.12 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.59 1gtf s LEU 38 N 0.71 3.05 0.60 5.43 1.43 0.82 -4.96 118.68 125.76 1gtf s LEU 38 Ca 0.30 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.17 1gtf s LEU 38 Cb -0.16 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.38 1gtf s LEU 38 CO 0.13 0.18 0.88 -1.81 0.23 0.00 0.00 176.35 175.96 1gtf s ASP 39 N 0.27 5.33 -0.09 2.29 1.01 -1.26 -1.28 116.67 122.93 1gtf s ASP 39 Ca -0.05 0.43 -0.35 0.00 0.71 0.00 0.00 52.55 53.29 1gtf s ASP 39 Cb -0.15 -1.33 -0.12 0.00 1.01 0.00 0.00 42.92 42.33 1gtf s ASP 39 CO 0.04 -1.19 1.85 1.17 0.21 0.00 0.00 175.17 177.25 1gtf n LYS 40 N -2.57 2.08 0.00 8.23 4.81 -1.20 -1.29 118.16 128.23 1gtf n LYS 40 Ca 0.06 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1gtf n LYS 40 Cb 0.59 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 33.05 1gtf n LYS 40 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gtf n GLY 41 N 4.32 1.23 3.77 3.14 0.00 0.73 -4.98 105.19 113.40 1gtf n GLY 41 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1gtf n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gtf s GLU 42 N -0.84 3.70 -0.07 1.61 2.02 -0.41 -4.79 118.70 119.92 1gtf s GLU 42 Ca 0.00 1.78 0.05 0.00 0.02 0.00 0.00 54.97 56.82 1gtf s GLU 42 Cb 0.00 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.86 1gtf s GLU 42 CO 0.00 -0.60 -0.23 0.08 0.02 0.00 0.00 175.26 174.53 1gtf s VAL 43 N -1.55 1.89 -0.09 2.63 1.01 -1.26 -1.54 120.40 121.49 1gtf s VAL 43 Ca 0.65 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1gtf s VAL 43 Cb -0.29 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 1gtf s VAL 43 CO 0.35 0.53 -0.22 -0.22 0.00 0.00 0.00 175.10 175.53 1gtf s LEU 44 N 0.05 2.19 -0.25 3.92 2.96 -0.44 -4.99 118.68 122.11 1gtf s LEU 44 Ca -0.08 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 1gtf s LEU 44 Cb -0.15 -1.43 0.04 0.00 0.50 0.00 0.00 46.19 45.15 1gtf s LEU 44 CO 0.05 0.18 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.53 1gtf s ILE 45 N 0.21 2.42 -0.06 6.68 1.09 -1.26 -0.73 121.20 129.55 1gtf s ILE 45 Ca -0.14 -1.36 0.02 0.00 -1.10 0.00 0.00 60.65 58.08 1gtf s ILE 45 Cb -0.17 -2.32 0.01 0.00 -1.06 0.00 0.00 42.46 38.93 1gtf s ILE 45 CO 0.07 0.10 -0.12 0.00 -0.10 0.00 0.00 174.94 174.90 1gtf s ALA 46 N 1.20 1.20 0.46 9.38 0.00 -0.45 -4.96 121.76 128.60 1gtf s ALA 46 Ca -0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.47 1gtf s ALA 46 Cb -0.18 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1gtf s ALA 46 CO -0.06 0.12 0.76 -0.65 0.00 0.00 0.00 175.76 175.93 1gtf s GLN 47 N 0.62 3.56 0.42 0.00 -0.21 -1.26 -0.95 119.66 121.83 1gtf s GLN 47 Ca -0.13 0.17 -0.22 0.00 0.02 0.00 0.00 55.36 55.20 1gtf s GLN 47 Cb -0.15 -2.40 -0.10 0.00 1.00 0.00 0.00 33.01 31.35 1gtf s GLN 47 CO 0.03 -0.16 0.96 -0.06 -2.12 0.00 0.00 175.29 173.95 1gtf s PHE 48 N -2.67 3.33 0.27 0.91 0.08 -0.94 -4.96 117.98 114.01 1gtf s PHE 48 Ca 0.47 1.63 -0.03 0.00 0.12 0.00 0.00 56.93 59.13 1gtf s PHE 48 Cb -0.10 -2.90 0.01 0.00 -0.57 0.00 0.00 43.02 39.46 1gtf s PHE 48 CO 0.43 -0.16 0.40 0.25 -0.10 0.00 0.00 175.22 176.04 1gtf n THR 49 N -0.48 0.00 -0.13 0.64 -2.24 -0.40 -4.75 114.28 106.92 1gtf n THR 49 Ca 0.06 -1.30 0.09 0.00 -2.27 0.00 0.00 64.05 60.64 1gtf n THR 49 Cb 0.53 0.83 0.42 0.00 -2.10 0.00 0.00 70.33 70.01 1gtf n THR 49 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1gtf h GLU 50 N 0.00 0.58 0.00 -0.78 4.81 -2.02 -3.05 114.58 114.11 1gtf h GLU 50 Ca -0.21 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1gtf h GLU 50 Cb 0.92 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1gtf h GLU 50 CO 0.29 0.38 -1.41 0.72 -0.73 0.00 0.00 179.01 178.26 1gtf n HIS 51 N -4.48 0.48 -3.86 0.92 8.25 -1.26 -4.61 115.22 110.66 1gtf n HIS 51 Ca 0.10 0.14 -0.30 0.00 -0.26 0.00 0.00 57.72 57.40 1gtf n HIS 51 Cb 0.28 -0.70 -0.16 0.00 1.12 0.00 0.00 29.99 30.54 1gtf n HIS 51 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1gtf s THR 52 N -3.40 1.28 -1.27 1.59 2.01 -1.15 -1.83 115.64 112.86 1gtf s THR 52 Ca -0.03 -1.28 0.12 0.00 0.31 0.00 0.00 61.69 60.82 1gtf s THR 52 Cb 0.12 -1.73 0.24 0.00 0.01 0.00 0.00 72.50 71.14 1gtf s THR 52 CO 0.84 -0.32 1.13 -1.54 -0.69 0.00 0.00 174.62 174.04 1gtf n SER 53 N 4.73 2.64 -3.60 3.53 3.41 -1.01 -1.28 113.62 122.05 1gtf n SER 53 Ca -0.07 -1.80 -0.15 0.00 -0.26 0.00 0.00 58.87 56.58 1gtf n SER 53 Cb 0.44 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.17 1gtf n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gtf s ALA 54 N -1.02 -1.73 -0.05 7.33 0.00 -1.25 -5.01 121.76 120.04 1gtf s ALA 54 Ca 0.22 1.70 0.02 0.00 0.00 0.00 0.00 51.96 53.90 1gtf s ALA 54 Cb 0.12 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1gtf s ALA 54 CO 0.17 -0.34 -0.08 0.42 0.00 0.00 0.00 175.76 175.92 1gtf s ILE 55 N -0.24 0.79 -0.06 0.00 1.01 -1.26 -0.73 121.20 120.71 1gtf s ILE 55 Ca -0.04 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.33 1gtf s ILE 55 Cb -0.03 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 1gtf s ILE 55 CO 0.04 0.27 -0.11 -0.75 0.00 0.00 0.00 174.94 174.40 1gtf s LYS 56 N 0.65 2.64 -0.14 2.79 2.20 0.21 -4.95 119.74 123.14 1gtf s LYS 56 Ca -0.11 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1gtf s LYS 56 Cb -0.14 -2.49 -0.01 0.00 -1.51 0.00 0.00 37.83 33.69 1gtf s LYS 56 CO 0.02 0.63 -0.14 0.08 -0.36 0.00 0.00 175.35 175.57 1gtf s VAL 57 N -0.74 2.86 -0.09 4.02 1.01 -1.26 -0.72 120.40 125.49 1gtf s VAL 57 Ca 0.11 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1gtf s VAL 57 Cb -0.11 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1gtf s VAL 57 CO 0.01 0.52 -0.18 -0.60 0.00 0.00 0.00 175.10 174.85 1gtf s ARG 58 N 0.53 2.45 0.00 2.72 3.52 -0.42 -4.95 118.95 122.80 1gtf s ARG 58 Ca -0.09 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 1gtf s ARG 58 Cb -0.16 -1.93 0.00 0.00 -1.56 0.00 0.00 34.95 31.30 1gtf s ARG 58 CO 0.04 0.08 0.00 0.41 -0.81 0.00 0.00 175.30 175.02 1gtf n GLY 59 N 3.75 2.10 3.65 8.12 0.00 -1.26 -0.79 105.19 120.76 1gtf n GLY 59 Ca -0.20 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 1gtf n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gtf s LYS 60 N -2.00 4.09 0.04 1.61 2.20 -1.26 -3.62 119.74 120.80 1gtf s LYS 60 Ca 0.00 1.48 -0.12 0.00 -0.36 0.00 0.00 55.97 56.96 1gtf s LYS 60 Cb 0.00 -3.82 0.01 0.00 -1.51 0.00 0.00 37.83 32.52 1gtf s LYS 60 CO 0.00 -0.90 0.27 0.00 -0.36 0.00 0.00 175.35 174.36 1gtf s ALA 61 N 3.91 -0.58 -0.24 3.13 0.00 -0.96 -0.48 121.76 126.55 1gtf s ALA 61 Ca 0.56 -0.09 -0.09 0.00 0.00 0.00 0.00 51.96 52.34 1gtf s ALA 61 Cb -0.19 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1gtf s ALA 61 CO 0.18 -0.40 0.11 -0.47 0.00 0.00 0.00 175.76 175.19 1gtf s TYR 62 N -2.55 3.18 -0.07 0.00 5.04 -0.39 -1.45 117.35 121.10 1gtf s TYR 62 Ca -0.05 -0.11 0.05 0.00 -2.44 0.00 0.00 57.07 54.52 1gtf s TYR 62 Cb -0.01 -2.25 -0.01 0.00 0.35 0.00 0.00 41.96 40.05 1gtf s TYR 62 CO -0.03 -0.16 -0.24 0.42 -1.34 0.00 0.00 175.55 174.20 1gtf s ILE 63 N 1.34 2.14 -0.08 3.14 1.01 0.05 -0.50 121.20 128.30 1gtf s ILE 63 Ca 0.06 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.71 1gtf s ILE 63 Cb -0.15 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 1gtf s ILE 63 CO 0.05 0.57 -0.17 -1.10 0.00 0.00 0.00 174.94 174.28 1gtf s GLN 64 N -0.05 2.78 0.28 2.79 -0.21 -0.05 -1.19 119.66 124.00 1gtf s GLN 64 Ca -0.07 -0.76 0.03 0.00 0.02 0.00 0.00 55.36 54.58 1gtf s GLN 64 Cb -0.15 -2.38 -0.01 0.00 1.00 0.00 0.00 33.01 31.47 1gtf s GLN 64 CO 0.05 0.43 0.10 0.25 -2.12 0.00 0.00 175.29 174.00 1gtf n THR 65 N 2.87 0.00 0.33 -0.19 -2.24 -0.45 -1.05 114.28 113.55 1gtf n THR 65 Ca -0.18 -1.63 0.21 0.00 -2.27 0.00 0.00 64.05 60.19 1gtf n THR 65 Cb 0.52 0.60 1.13 0.00 -2.10 0.00 0.00 70.33 70.48 1gtf n THR 65 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1gtf h ARG 66 N 0.00 0.00 -0.01 -0.78 2.43 -2.01 -1.06 114.38 112.96 1gtf h ARG 66 Ca -0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1gtf h ARG 66 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1gtf h ARG 66 CO 0.34 0.00 -0.25 0.72 -1.51 0.00 0.00 179.97 179.28 1gtf n HIS 67 N -3.15 0.00 0.00 2.20 8.25 -1.26 -5.05 115.22 116.21 1gtf n HIS 67 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1gtf n HIS 67 Cb 0.10 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1gtf n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gtf n GLY 68 N 1.33 0.47 3.89 -1.41 0.00 -0.40 -5.06 105.19 104.01 1gtf n GLY 68 Ca 0.13 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 1gtf n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gtf s VAL 69 N -0.96 5.44 0.03 1.61 1.01 -1.26 -1.34 120.40 124.93 1gtf s VAL 69 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1gtf s VAL 69 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1gtf s VAL 69 CO 0.00 0.46 0.16 -0.51 0.00 0.00 0.00 175.10 175.21 1gtf s ILE 70 N -1.19 0.11 -0.07 2.22 1.10 -0.34 -5.02 121.20 118.01 1gtf s ILE 70 Ca 0.22 -0.89 0.05 0.00 -0.51 0.00 0.00 60.65 59.52 1gtf s ILE 70 Cb -0.12 -0.79 -0.00 0.00 0.15 0.00 0.00 42.46 41.69 1gtf s ILE 70 CO 0.12 -0.49 -0.23 -1.61 -2.11 0.00 0.00 174.94 170.62 1gtf s GLU 71 N -2.27 2.59 0.29 3.50 2.02 -1.26 -0.77 118.70 122.79 1gtf s GLU 71 Ca -0.07 -0.83 -0.02 0.00 0.02 0.00 0.00 54.97 54.07 1gtf s GLU 71 Cb -0.03 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 1gtf s GLU 71 CO -0.03 0.27 0.51 -1.54 0.02 0.00 0.00 175.26 174.49 1gtf s SER 72 N 0.10 6.37 -0.04 -0.19 1.04 -0.53 -4.95 113.70 115.50 1gtf s SER 72 Ca -0.10 0.53 0.04 0.00 0.48 0.00 0.00 55.95 56.89 1gtf s SER 72 Cb -0.15 -2.06 -0.00 0.00 0.10 0.00 0.00 66.02 63.90 1gtf s SER 72 CO 0.05 -0.19 -0.14 -1.61 0.98 0.00 0.00 173.24 172.33 1gtf s GLU 73 N -3.78 1.47 0.00 4.02 2.02 -1.24 -2.26 118.70 118.93 1gtf s GLU 73 Ca 0.41 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.90 1gtf s GLU 73 Cb -0.10 -1.30 0.00 0.00 0.10 0.00 0.00 34.13 32.82 1gtf s GLU 73 CO 0.32 0.20 0.38 0.41 0.02 0.00 0.00 175.26 176.59