#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8f h LEU 12 N 0.00 0.96 -0.53 1.09 3.38 -2.05 -2.79 115.31 115.37 1i8f h LEU 12 Ca 0.00 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.36 1i8f h LEU 12 Cb 0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1i8f h LEU 12 CO 0.00 1.36 0.18 1.23 0.09 0.00 0.00 178.44 181.30 1i8f h GLY 13 N 0.60 0.86 0.81 0.83 0.00 -2.04 -2.06 103.07 102.08 1i8f h GLY 13 Ca -0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1i8f h GLY 13 CO 0.14 0.47 -0.02 0.00 0.00 0.00 0.00 176.54 177.12 1i8f h ALA 14 N 1.04 0.27 -0.86 3.60 0.00 -1.99 -1.27 119.26 120.05 1i8f h ALA 14 Ca 0.17 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1i8f h ALA 14 Cb 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1i8f h ALA 14 CO -0.01 0.02 0.56 1.15 0.00 0.00 0.00 179.25 180.97 1i8f h THR 15 N 0.11 1.01 -0.06 0.00 2.02 -1.42 0.37 112.91 114.95 1i8f h THR 15 Ca 0.05 -0.31 -0.23 0.00 0.77 0.00 0.00 66.41 66.69 1i8f h THR 15 Cb 0.44 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1i8f h THR 15 CO 0.01 0.17 -0.90 -0.07 0.37 0.00 0.00 175.52 175.10 1i8f h LEU 16 N 0.91 0.77 -0.67 2.58 3.38 -1.30 -3.04 115.31 117.94 1i8f h LEU 16 Ca 0.38 -0.57 0.08 0.00 0.09 0.00 0.00 57.88 57.87 1i8f h LEU 16 Cb 0.31 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 1i8f h LEU 16 CO -0.15 1.36 0.33 1.56 0.09 0.00 0.00 178.44 181.63 1i8f h GLN 17 N 0.38 0.56 0.00 1.13 4.20 0.05 0.88 115.11 122.31 1i8f h GLN 17 Ca -0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1i8f h GLN 17 Cb 1.53 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.18 1i8f h GLN 17 CO 0.17 0.37 0.00 -3.47 -0.67 0.00 0.00 178.83 175.23 1i8f n ASP 18 N -4.88 0.35 -0.58 1.46 4.64 0.12 -2.25 116.55 115.42 1i8f n ASP 18 Ca 0.10 0.64 0.11 0.00 -1.38 0.00 0.00 54.79 54.26 1i8f n ASP 18 Cb 0.25 -0.69 0.04 0.00 -1.04 0.00 0.00 41.12 39.67 1i8f n ASP 18 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1i8f n SER 19 N -1.94 2.17 -4.74 1.67 7.64 0.30 -4.88 113.62 113.83 1i8f n SER 19 Ca 0.00 -1.58 -0.42 0.00 1.01 0.00 0.00 58.87 57.88 1i8f n SER 19 Cb 0.08 0.37 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 1i8f n SER 19 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1i8f s ILE 20 N -2.38 2.13 0.00 0.44 -1.09 -0.95 -0.57 121.20 118.78 1i8f s ILE 20 Ca 0.21 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 1i8f s ILE 20 Cb 0.19 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 38.00 1i8f s ILE 20 CO 0.52 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 1i8f n GLY 21 N 2.82 1.07 3.67 6.18 0.00 0.92 -4.99 105.19 114.85 1i8f n GLY 21 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1i8f n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i8f s LYS 22 N -0.34 2.11 0.04 1.61 1.02 0.27 -4.86 119.74 119.59 1i8f s LYS 22 Ca 0.00 -1.86 -0.24 0.00 0.02 0.00 0.00 55.97 53.89 1i8f s LYS 22 Cb 0.00 -1.89 -0.05 0.00 -0.52 0.00 0.00 37.83 35.36 1i8f s LYS 22 CO 0.00 0.00 0.75 -1.14 -0.92 0.00 0.00 175.35 174.04 1i8f s GLN 23 N -3.79 4.48 0.14 1.68 0.74 -1.26 -0.64 119.66 121.01 1i8f s GLN 23 Ca 0.37 1.03 0.04 0.00 0.05 0.00 0.00 55.36 56.86 1i8f s GLN 23 Cb 0.03 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.74 1i8f s GLN 23 CO 0.20 0.29 -0.10 0.14 -0.55 0.00 0.00 175.29 175.27 1i8f s VAL 24 N -0.06 1.15 -0.17 1.34 -7.23 0.73 -1.69 120.40 114.47 1i8f s VAL 24 Ca 0.38 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 58.45 1i8f s VAL 24 Cb -0.20 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 1i8f s VAL 24 CO 0.22 -0.72 0.11 -0.22 -0.31 0.00 0.00 175.10 174.19 1i8f s LEU 25 N -3.08 4.16 -0.07 1.32 2.96 0.77 -1.29 118.68 123.45 1i8f s LEU 25 Ca 0.15 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1i8f s LEU 25 Cb 0.02 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1i8f s LEU 25 CO 0.01 0.25 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.53 1i8f s VAL 26 N -0.06 0.78 -0.04 1.68 1.01 0.49 -1.15 120.40 123.12 1i8f s VAL 26 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1i8f s VAL 26 Cb -0.12 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1i8f s VAL 26 CO 0.00 0.30 -0.02 -0.54 0.00 0.00 0.00 175.10 174.84 1i8f s LYS 27 N 1.26 2.82 0.42 2.72 1.02 -0.98 -0.74 119.74 126.26 1i8f s LYS 27 Ca -0.05 -0.54 0.05 0.00 0.02 0.00 0.00 55.97 55.45 1i8f s LYS 27 Cb -0.14 -2.68 -0.06 0.00 -0.52 0.00 0.00 37.83 34.43 1i8f s LYS 27 CO -0.02 0.66 0.02 -0.51 -0.92 0.00 0.00 175.35 174.57 1i8f s LEU 28 N -1.18 2.63 0.87 3.17 1.43 0.01 -0.74 118.68 124.87 1i8f s LEU 28 Ca 0.16 -1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 51.70 1i8f s LEU 28 Cb -0.11 -0.77 0.11 0.00 0.03 0.00 0.00 46.19 45.44 1i8f s LEU 28 CO 0.06 -0.57 1.07 0.54 0.23 0.00 0.00 176.35 177.67 1i8f n ARG 29 N -1.00 -0.18 -2.89 1.70 5.12 0.15 -3.12 116.66 116.44 1i8f n ARG 29 Ca -0.08 0.02 -0.18 0.00 -1.93 0.00 0.00 57.85 55.68 1i8f n ARG 29 Cb 0.67 -2.32 0.03 0.00 -1.16 0.00 0.00 32.46 29.68 1i8f n ARG 29 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1i8f n ASP 30 N -3.43 -5.28 -2.14 0.55 8.00 -1.26 -3.63 116.55 109.37 1i8f n ASP 30 Ca 0.12 -0.24 -0.18 0.00 0.71 0.00 0.00 54.79 55.19 1i8f n ASP 30 Cb 0.51 -4.11 -0.01 0.00 -0.02 0.00 0.00 41.12 37.50 1i8f n ASP 30 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1i8f n SER 31 N -1.71 -5.34 -4.83 -2.24 7.64 -1.22 -5.00 113.62 100.92 1i8f n SER 31 Ca -0.09 -0.04 -0.38 0.00 1.01 0.00 0.00 58.87 59.37 1i8f n SER 31 Cb 0.60 -4.38 -0.06 0.00 -1.01 0.00 0.00 64.21 59.36 1i8f n SER 31 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1i8f s HIS 32 N -2.93 3.74 -0.08 1.43 3.76 -1.18 -4.96 115.29 115.06 1i8f s HIS 32 Ca 0.02 1.05 0.01 0.00 -0.15 0.00 0.00 55.06 55.99 1i8f s HIS 32 Cb -0.01 -2.33 0.02 0.00 1.11 0.00 0.00 32.58 31.37 1i8f s HIS 32 CO 0.03 0.63 -0.08 -2.00 -0.85 0.00 0.00 174.74 172.47 1i8f s GLU 33 N -1.13 1.40 0.10 1.40 2.12 -1.26 -0.81 118.70 120.51 1i8f s GLU 33 Ca 0.25 -0.25 0.04 0.00 0.36 0.00 0.00 54.97 55.37 1i8f s GLU 33 Cb -0.17 -1.37 -0.04 0.00 0.26 0.00 0.00 34.13 32.81 1i8f s GLU 33 CO 0.15 -0.15 -0.11 0.42 -0.54 0.00 0.00 175.26 175.03 1i8f s ILE 34 N 1.29 0.97 0.00 -3.70 1.01 0.08 -1.43 121.20 119.42 1i8f s ILE 34 Ca -0.04 -1.61 0.02 0.00 0.00 0.00 0.00 60.65 59.02 1i8f s ILE 34 Cb -0.14 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1i8f s ILE 34 CO -0.03 -0.52 -0.05 -0.13 0.00 0.00 0.00 174.94 174.21 1i8f s ARG 35 N -2.69 0.40 0.00 2.79 0.52 -0.57 -0.38 118.95 119.02 1i8f s ARG 35 Ca 0.05 -0.23 -0.29 0.00 -0.52 0.00 0.00 55.73 54.73 1i8f s ARG 35 Cb -0.04 -0.36 0.11 0.00 0.52 0.00 0.00 34.95 35.19 1i8f s ARG 35 CO 0.00 0.09 1.26 0.20 0.02 0.00 0.00 175.30 176.88 1i8f s GLY 36 N -0.28 -0.33 -0.36 -3.53 0.00 -0.41 -1.33 107.32 101.08 1i8f s GLY 36 Ca 0.00 0.50 -0.25 0.00 0.00 0.00 0.00 44.72 44.97 1i8f s GLY 36 CO -0.00 1.24 0.89 -0.42 0.00 0.00 0.00 173.10 174.81 1i8f s ILE 37 N -2.38 4.63 -0.20 0.90 -1.09 0.46 -0.19 121.20 123.32 1i8f s ILE 37 Ca 0.17 1.13 -0.29 0.00 -2.23 0.00 0.00 60.65 59.44 1i8f s ILE 37 Cb 0.03 -4.30 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 1i8f s ILE 37 CO -0.03 -0.49 1.91 -0.22 -1.23 0.00 0.00 174.94 174.88 1i8f s LEU 38 N 3.36 3.75 -0.22 2.97 2.96 0.19 -1.14 118.68 130.54 1i8f s LEU 38 Ca 0.36 1.80 -0.16 0.00 -0.22 0.00 0.00 54.13 55.92 1i8f s LEU 38 Cb -0.12 -3.52 -0.09 0.00 0.50 0.00 0.00 46.19 42.96 1i8f s LEU 38 CO 0.18 -1.55 -0.32 0.54 -1.32 0.00 0.00 176.35 173.87 1i8f n ARG 39 N 8.17 0.55 -4.15 1.98 5.12 -0.41 -0.05 116.66 127.87 1i8f n ARG 39 Ca 0.23 0.26 -0.10 0.00 -1.93 0.00 0.00 57.85 56.32 1i8f n ARG 39 Cb 0.45 -1.48 -0.10 0.00 -1.16 0.00 0.00 32.46 30.17 1i8f n ARG 39 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1i8f s SER 40 N -6.59 0.98 0.07 0.55 0.15 -1.18 -4.75 113.70 102.93 1i8f s SER 40 Ca -0.32 -1.01 -0.23 0.00 0.70 0.00 0.00 55.95 55.08 1i8f s SER 40 Cb 0.08 0.12 0.06 0.00 -1.71 0.00 0.00 66.02 64.57 1i8f s SER 40 CO 0.45 -0.50 0.55 0.72 1.20 0.00 0.00 173.24 175.66 1i8f s PHE 41 N -3.70 -0.47 0.31 3.44 -0.71 -1.26 -1.11 117.98 114.48 1i8f s PHE 41 Ca 0.11 0.49 0.01 0.00 -1.04 0.00 0.00 56.93 56.50 1i8f s PHE 41 Cb 0.06 0.40 -0.00 0.00 -1.21 0.00 0.00 43.02 42.27 1i8f s PHE 41 CO -0.06 -0.69 0.03 -0.40 -1.34 0.00 0.00 175.22 172.75 1i8f n ASP 42 N 0.24 2.44 0.27 1.98 5.68 -1.01 -4.98 116.55 121.17 1i8f n ASP 42 Ca -0.18 -2.43 0.12 0.00 -0.50 0.00 0.00 54.79 51.80 1i8f n ASP 42 Cb 0.61 0.35 0.77 0.00 -1.14 0.00 0.00 41.12 41.71 1i8f n ASP 42 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1i8f h GLN 43 N 0.00 0.00 -0.50 0.11 -0.00 -2.03 -0.44 115.11 112.24 1i8f h GLN 43 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 1i8f h GLN 43 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.29 1i8f h GLN 43 CO 0.42 0.06 0.00 0.72 0.00 0.00 0.00 178.83 180.02 1i8f n HIS 44 N -3.98 0.68 -2.80 3.99 8.25 -1.26 -4.90 115.22 115.21 1i8f n HIS 44 Ca -0.03 -0.29 -0.21 0.00 -0.26 0.00 0.00 57.72 56.93 1i8f n HIS 44 Cb 0.14 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 31.17 1i8f n HIS 44 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1i8f n VAL 45 N 0.55 -1.37 -2.36 1.59 0.31 -0.18 -3.81 118.33 113.06 1i8f n VAL 45 Ca 0.13 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.13 1i8f n VAL 45 Cb 0.45 -2.87 -0.02 0.00 -0.91 0.00 0.00 33.84 30.49 1i8f n VAL 45 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1i8f s ASN 46 N -2.42 6.14 0.03 4.52 0.01 -1.26 -2.98 114.94 118.99 1i8f s ASN 46 Ca 0.18 1.89 0.03 0.00 -0.71 0.00 0.00 52.86 54.25 1i8f s ASN 46 Cb -0.09 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.00 1i8f s ASN 46 CO 0.23 -0.92 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.05 1i8f s LEU 47 N -3.85 2.18 -0.19 0.60 1.43 0.17 -2.40 118.68 116.62 1i8f s LEU 47 Ca 0.66 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1i8f s LEU 47 Cb -0.16 -0.27 -0.00 0.00 0.03 0.00 0.00 46.19 45.78 1i8f s LEU 47 CO 0.26 -0.09 -0.11 -0.22 0.23 0.00 0.00 176.35 176.41 1i8f s LEU 48 N -1.15 2.60 0.03 1.79 2.96 -0.26 0.20 118.68 124.84 1i8f s LEU 48 Ca -0.05 -0.47 0.08 0.00 -0.22 0.00 0.00 54.13 53.48 1i8f s LEU 48 Cb -0.08 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1i8f s LEU 48 CO 0.00 0.02 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.06 1i8f s LEU 49 N 1.19 2.29 0.11 -0.68 1.43 0.74 -1.29 118.68 122.47 1i8f s LEU 49 Ca 0.02 -0.51 0.08 0.00 -1.03 0.00 0.00 54.13 52.69 1i8f s LEU 49 Cb -0.14 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1i8f s LEU 49 CO -0.04 0.27 -0.16 -1.61 0.23 0.00 0.00 176.35 175.04 1i8f s GLU 50 N -1.16 1.89 -1.42 1.70 2.02 -0.29 -0.12 118.70 121.31 1i8f s GLU 50 Ca 0.12 -1.12 -0.09 0.00 0.02 0.00 0.00 54.97 53.90 1i8f s GLU 50 Cb -0.10 -2.16 0.05 0.00 0.10 0.00 0.00 34.13 32.01 1i8f s GLU 50 CO 0.02 0.49 0.64 -3.47 0.02 0.00 0.00 175.26 172.96 1i8f n ASP 51 N 0.85 -4.81 -4.80 -0.19 2.03 -1.01 -0.40 116.55 108.21 1i8f n ASP 51 Ca -0.15 -0.43 -0.31 0.00 0.52 0.00 0.00 54.79 54.42 1i8f n ASP 51 Cb 0.53 -3.91 0.05 0.00 -0.72 0.00 0.00 41.12 37.07 1i8f n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1i8f s ALA 52 N -3.09 2.61 0.01 -1.67 0.00 0.30 -4.50 121.76 115.41 1i8f s ALA 52 Ca 0.42 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.42 1i8f s ALA 52 Cb -0.21 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.73 1i8f s ALA 52 CO 0.52 -1.23 0.38 -1.83 0.00 0.00 0.00 175.76 173.60 1i8f s GLU 53 N -4.75 0.82 -0.13 0.00 -1.05 -0.44 -0.02 118.70 113.14 1i8f s GLU 53 Ca 0.60 -0.26 -0.05 0.00 -0.15 0.00 0.00 54.97 55.12 1i8f s GLU 53 Cb -0.15 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.87 1i8f s GLU 53 CO 0.50 -0.26 0.04 -1.21 0.95 0.00 0.00 175.26 175.29 1i8f s GLU 54 N -1.93 3.42 -0.29 -4.83 2.02 -0.35 -1.51 118.70 115.24 1i8f s GLU 54 Ca -0.09 -0.35 -0.07 0.00 0.02 0.00 0.00 54.97 54.48 1i8f s GLU 54 Cb -0.02 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1i8f s GLU 54 CO 0.01 0.55 0.09 0.42 0.02 0.00 0.00 175.26 176.35 1i8f s ILE 55 N -0.43 4.09 -0.15 -1.63 1.09 -0.51 -0.89 121.20 122.77 1i8f s ILE 55 Ca 0.09 -0.59 -0.02 0.00 -1.10 0.00 0.00 60.65 59.03 1i8f s ILE 55 Cb -0.12 -3.08 0.05 0.00 -1.06 0.00 0.00 42.46 38.24 1i8f s ILE 55 CO 0.02 0.11 0.00 -0.63 -0.10 0.00 0.00 174.94 174.34 1i8f s ILE 56 N 1.53 0.66 -1.53 2.92 1.01 -0.46 -4.35 121.20 120.99 1i8f s ILE 56 Ca 0.03 -0.40 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 1i8f s ILE 56 Cb -0.17 -0.97 0.08 0.00 0.01 0.00 0.00 42.46 41.41 1i8f s ILE 56 CO 0.03 0.02 0.93 0.47 0.00 0.00 0.00 174.94 176.39 1i8f n ASP 57 N 5.02 -4.29 0.00 3.58 8.00 -1.26 -0.26 116.55 127.34 1i8f n ASP 57 Ca -0.09 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1i8f n ASP 57 Cb 0.48 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1i8f n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i8f n GLY 58 N -1.67 2.87 3.81 0.44 0.00 -1.26 -5.02 105.19 104.37 1i8f n GLY 58 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1i8f n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i8f s ASN 59 N -2.13 6.42 -0.18 1.61 0.02 0.64 -5.04 114.94 116.27 1i8f s ASN 59 Ca 0.00 1.77 -0.01 0.00 -1.02 0.00 0.00 52.86 53.60 1i8f s ASN 59 Cb 0.00 -2.54 0.01 0.00 0.02 0.00 0.00 41.25 38.74 1i8f s ASN 59 CO 0.00 -0.73 -0.14 -0.69 0.02 0.00 0.00 177.10 175.56 1i8f s VAL 60 N -2.28 2.59 -0.29 1.60 1.01 -1.26 -1.35 120.40 120.42 1i8f s VAL 60 Ca 0.63 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 1i8f s VAL 60 Cb -0.13 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1i8f s VAL 60 CO 0.25 0.50 0.03 -0.31 0.00 0.00 0.00 175.10 175.57 1i8f s TYR 61 N 1.21 3.17 0.16 5.22 2.02 -0.07 -4.96 117.35 124.10 1i8f s TYR 61 Ca 0.02 -1.37 -0.30 0.00 -0.37 0.00 0.00 57.07 55.06 1i8f s TYR 61 Cb -0.14 -2.18 -0.08 0.00 -0.40 0.00 0.00 41.96 39.16 1i8f s TYR 61 CO -0.07 -0.68 1.25 0.15 -1.57 0.00 0.00 175.55 174.63 1i8f s LYS 62 N 1.39 4.44 -0.00 -0.62 1.02 -1.26 -1.21 119.74 123.50 1i8f s LYS 62 Ca -0.00 1.93 0.03 0.00 0.02 0.00 0.00 55.97 57.95 1i8f s LYS 62 Cb -0.18 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 1i8f s LYS 62 CO 0.00 -0.19 0.07 0.54 -0.92 0.00 0.00 175.35 174.85 1i8f n ARG 63 N 2.89 0.53 0.00 1.68 5.12 0.98 -4.94 116.66 122.92 1i8f n ARG 63 Ca 0.06 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 1i8f n ARG 63 Cb 0.44 -1.04 0.00 0.00 -1.16 0.00 0.00 32.46 30.70 1i8f n ARG 63 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i8f n GLY 64 N 2.23 0.98 3.71 -0.13 0.00 -0.94 -4.82 105.19 106.22 1i8f n GLY 64 Ca -0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1i8f n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i8f s THR 65 N 0.00 4.68 -0.02 2.61 2.01 -1.26 -0.54 115.64 123.11 1i8f s THR 65 Ca 0.00 1.98 0.01 0.00 0.31 0.00 0.00 61.69 63.99 1i8f s THR 65 Cb 0.00 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.26 1i8f s THR 65 CO 0.00 0.19 -0.01 -0.32 -0.69 0.00 0.00 174.62 173.79 1i8f s MET 66 N 0.78 0.32 -0.17 4.92 0.00 0.83 -4.97 119.30 121.00 1i8f s MET 66 Ca 0.52 0.02 -0.06 0.00 0.00 0.00 0.00 55.69 56.17 1i8f s MET 66 Cb -0.23 -0.45 -0.04 0.00 0.00 0.00 0.00 34.83 34.12 1i8f s MET 66 CO 0.29 -0.09 0.03 0.54 0.00 0.00 0.00 175.02 175.79 1i8f s VAL 67 N 0.76 4.50 -0.23 10.11 0.11 -1.26 -0.19 120.40 134.21 1i8f s VAL 67 Ca -0.08 -0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 58.81 1i8f s VAL 67 Cb -0.11 -3.01 0.01 0.00 -1.53 0.00 0.00 36.38 31.74 1i8f s VAL 67 CO -0.01 0.48 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.48 1i8f s VAL 68 N 0.32 3.04 0.02 2.04 1.01 0.13 -4.95 120.40 122.00 1i8f s VAL 68 Ca 0.01 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1i8f s VAL 68 Cb -0.13 -2.44 -0.06 0.00 0.00 0.00 0.00 36.38 33.75 1i8f s VAL 68 CO 0.01 0.34 1.42 -0.13 0.00 0.00 0.00 175.10 176.74 1i8f s ARG 69 N 1.40 4.28 0.58 2.72 0.52 -1.26 0.46 118.95 127.65 1i8f s ARG 69 Ca 0.03 2.01 0.35 0.00 -0.52 0.00 0.00 55.73 57.61 1i8f s ARG 69 Cb -0.15 -3.55 1.74 0.00 0.52 0.00 0.00 34.95 33.52 1i8f s ARG 69 CO -0.05 -0.58 2.14 0.78 0.02 0.00 0.00 175.30 177.62 1i8f h GLY 70 N 8.24 0.00 1.19 -3.53 0.00 -1.63 -2.75 103.07 104.59 1i8f h GLY 70 Ca -0.39 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.02 1i8f h GLY 70 CO 0.90 0.00 0.35 1.05 0.00 0.00 0.00 176.54 178.84 1i8f h GLU 71 N 0.00 0.38 -0.28 4.80 4.11 -1.86 -1.82 114.58 119.91 1i8f h GLU 71 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1i8f h GLU 71 Cb 0.29 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1i8f h GLU 71 CO 0.01 0.25 0.00 0.09 0.07 0.00 0.00 179.01 179.43 1i8f n ASN 72 N -4.47 3.11 -4.73 3.06 3.02 -1.04 -4.95 115.26 109.26 1i8f n ASN 72 Ca 0.08 -1.91 -0.41 0.00 -0.03 0.00 0.00 54.58 52.30 1i8f n ASN 72 Cb 0.31 -0.17 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 1i8f n ASN 72 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1i8f s VAL 73 N -1.41 4.08 -0.19 2.41 1.01 -0.69 -0.67 120.40 124.94 1i8f s VAL 73 Ca 0.31 1.70 -0.15 0.00 0.00 0.00 0.00 61.98 63.84 1i8f s VAL 73 Cb 0.19 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 1i8f s VAL 73 CO 0.27 0.25 -0.11 0.18 0.00 0.00 0.00 175.10 175.69 1i8f n LEU 74 N 2.84 1.86 -3.75 3.92 4.77 0.08 -4.88 117.00 121.84 1i8f n LEU 74 Ca 0.04 0.49 -0.10 0.00 -0.03 0.00 0.00 56.01 56.41 1i8f n LEU 74 Cb 0.47 -0.87 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 1i8f n LEU 74 CO 0.53 -0.08 0.25 0.72 -1.33 0.00 0.00 177.39 177.48 1i8f s PHE 75 N -2.42 -0.09 -0.03 -1.77 -0.12 -1.18 -5.01 117.98 107.36 1i8f s PHE 75 Ca -0.24 -0.26 0.01 0.00 -0.05 0.00 0.00 56.93 56.39 1i8f s PHE 75 Cb 0.05 0.36 0.01 0.00 -0.63 0.00 0.00 43.02 42.81 1i8f s PHE 75 CO 0.40 -0.90 -0.05 0.42 -0.05 0.00 0.00 175.22 175.04 1i8f s ILE 76 N -3.88 0.55 -0.06 -4.49 1.01 -1.26 -2.33 121.20 110.74 1i8f s ILE 76 Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1i8f s ILE 76 Cb -0.01 -0.54 0.03 0.00 0.01 0.00 0.00 42.46 41.96 1i8f s ILE 76 CO -0.03 0.21 0.14 -0.94 0.00 0.00 0.00 174.94 174.32 1i8f s SER 77 N 0.57 -0.12 0.38 3.58 1.04 -0.30 -4.98 113.70 113.87 1i8f s SER 77 Ca -0.08 0.29 -0.27 0.00 0.48 0.00 0.00 55.95 56.38 1i8f s SER 77 Cb -0.11 0.21 -0.09 0.00 0.10 0.00 0.00 66.02 66.12 1i8f s SER 77 CO 0.00 -0.12 1.24 -2.84 0.98 0.00 0.00 173.24 172.50 1i8f s PRO 78 N 0.90 4.14 -0.32 4.02 0.02 -1.26 -0.16 135.00 142.33 1i8f s PRO 78 Ca -0.07 2.04 -0.19 0.00 0.02 0.00 0.00 61.00 62.80 1i8f s PRO 78 Cb -0.09 -2.84 -0.01 0.00 0.02 0.00 0.00 34.50 31.58 1i8f s PRO 78 CO -0.04 -0.31 0.54 0.54 -0.33 0.00 0.00 177.00 177.40 1i8f s VAL 79 N -1.27 5.00 -2.01 3.83 0.11 -0.68 -4.82 120.40 120.56 1i8f s VAL 79 Ca 0.54 0.57 0.32 0.00 -2.93 0.00 0.00 61.98 60.48 1i8f s VAL 79 Cb -0.36 -3.95 0.91 0.00 -1.53 0.00 0.00 36.38 31.45 1i8f s VAL 79 CO 0.46 -0.14 2.22 -2.65 -3.33 0.00 0.00 175.10 171.66