#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8f h ALA 10 N 0.00 1.00 -2.28 0.00 0.00 -1.98 -3.04 119.26 112.97 1i8f h ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i8f h ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1i8f h ALA 10 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 179.25 176.88 1i8f n THR 11 N -2.97 0.00 0.07 0.00 5.66 -1.26 -2.70 114.28 113.08 1i8f n THR 11 Ca -0.01 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.96 1i8f n THR 11 Cb 0.19 -0.24 -0.01 0.00 -1.55 0.00 0.00 70.33 68.72 1i8f n THR 11 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1i8f h LEU 12 N 0.00 -0.16 -1.39 1.09 3.38 -2.04 -3.40 115.31 112.79 1i8f h LEU 12 Ca 0.00 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1i8f h LEU 12 Cb 0.00 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1i8f h LEU 12 CO 0.00 -0.11 0.49 1.23 0.09 0.00 0.00 178.44 180.14 1i8f h GLY 13 N -0.18 0.96 0.15 0.83 0.00 -1.74 -2.81 103.07 100.29 1i8f h GLY 13 Ca -0.02 -0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.08 1i8f h GLY 13 CO 0.03 0.18 -0.26 0.00 0.00 0.00 0.00 176.54 176.49 1i8f h ALA 14 N 1.61 -0.19 -0.43 3.60 0.00 -1.38 1.24 119.26 123.70 1i8f h ALA 14 Ca 0.34 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 1i8f h ALA 14 Cb 0.40 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1i8f h ALA 14 CO -0.12 -0.70 -0.02 1.15 0.00 0.00 0.00 179.25 179.56 1i8f h THR 15 N -0.29 1.26 -0.19 0.00 2.02 -1.51 -1.40 112.91 112.82 1i8f h THR 15 Ca 0.13 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.24 1i8f h THR 15 Cb 0.48 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1i8f h THR 15 CO -0.38 0.36 0.11 -0.07 0.37 0.00 0.00 175.52 175.91 1i8f h LEU 16 N 0.61 0.23 -0.47 2.58 3.38 -1.21 -0.27 115.31 120.16 1i8f h LEU 16 Ca 0.12 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.11 1i8f h LEU 16 Cb 0.51 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 1i8f h LEU 16 CO 0.03 0.24 -0.19 1.56 0.09 0.00 0.00 178.44 180.16 1i8f h GLN 17 N 0.21 -0.08 0.00 1.13 1.08 0.20 0.38 115.11 118.02 1i8f h GLN 17 Ca 0.07 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1i8f h GLN 17 Cb 0.06 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1i8f h GLN 17 CO -0.01 -0.06 0.00 -3.47 -0.95 0.00 0.00 178.83 174.34 1i8f n ASP 18 N -5.39 0.64 -0.69 1.46 2.03 -0.57 -2.69 116.55 111.34 1i8f n ASP 18 Ca 0.04 0.70 0.12 0.00 0.52 0.00 0.00 54.79 56.16 1i8f n ASP 18 Cb 0.30 -0.82 0.09 0.00 -0.72 0.00 0.00 41.12 39.97 1i8f n ASP 18 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1i8f n SER 19 N -2.25 2.37 -4.65 1.67 7.64 0.10 -4.94 113.62 113.56 1i8f n SER 19 Ca 0.01 -1.69 -0.46 0.00 1.01 0.00 0.00 58.87 57.73 1i8f n SER 19 Cb 0.17 0.22 -0.04 0.00 -1.01 0.00 0.00 64.21 63.55 1i8f n SER 19 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1i8f n ILE 20 N 0.56 0.41 -0.78 0.44 2.08 -1.06 -0.63 119.36 120.37 1i8f n ILE 20 Ca 0.12 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1i8f n ILE 20 Cb 0.51 -1.38 0.00 0.00 -0.75 0.00 0.00 39.64 38.03 1i8f n ILE 20 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1i8f n GLY 21 N 2.75 1.05 3.59 7.39 0.00 0.14 -4.98 105.19 115.13 1i8f n GLY 21 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.16 2.13 0.24 1.61 1.02 0.19 -4.88 119.74 119.90 1i8f s LYS 22 Ca 0.00 -1.41 -0.30 0.00 0.02 0.00 0.00 55.97 54.29 1i8f s LYS 22 Cb 0.00 -2.11 -0.09 0.00 -0.52 0.00 0.00 37.83 35.11 1i8f s LYS 22 CO 0.00 0.39 1.11 -1.14 -0.92 0.00 0.00 175.35 174.78 1i8f s GLN 23 N -3.34 4.62 0.12 1.68 0.74 -1.26 -1.38 119.66 120.83 1i8f s GLN 23 Ca 0.29 1.79 0.04 0.00 0.05 0.00 0.00 55.36 57.53 1i8f s GLN 23 Cb -0.07 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 1i8f s GLN 23 CO 0.18 0.15 -0.10 0.54 -0.55 0.00 0.00 175.29 175.50 1i8f s VAL 24 N -0.83 1.06 -0.17 1.34 0.11 0.11 -1.62 120.40 120.40 1i8f s VAL 24 Ca 0.46 -1.81 -0.04 0.00 -2.93 0.00 0.00 61.98 57.67 1i8f s VAL 24 Cb -0.31 -1.57 -0.02 0.00 -1.53 0.00 0.00 36.38 32.95 1i8f s VAL 24 CO 0.39 -0.62 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.28 1i8f s LEU 25 N -2.72 3.15 -0.06 2.54 2.96 0.43 -1.49 118.68 123.50 1i8f s LEU 25 Ca 0.10 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1i8f s LEU 25 Cb -0.01 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.93 1i8f s LEU 25 CO 0.00 0.13 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.35 1i8f s VAL 26 N 0.59 1.14 -0.01 1.68 1.01 0.48 -1.10 120.40 124.19 1i8f s VAL 26 Ca -0.03 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1i8f s VAL 26 Cb -0.14 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1i8f s VAL 26 CO 0.03 0.35 -0.12 -0.54 0.00 0.00 0.00 175.10 174.81 1i8f s LYS 27 N 0.56 2.44 0.36 2.72 1.02 -1.00 -0.88 119.74 124.95 1i8f s LYS 27 Ca -0.12 -0.76 0.09 0.00 0.02 0.00 0.00 55.97 55.19 1i8f s LYS 27 Cb -0.15 -2.39 -0.06 0.00 -0.52 0.00 0.00 37.83 34.71 1i8f s LYS 27 CO 0.03 0.60 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.54 1i8f s LEU 28 N -1.11 2.87 0.89 3.17 1.43 0.28 -0.62 118.68 125.60 1i8f s LEU 28 Ca 0.14 -1.16 -0.14 0.00 -1.03 0.00 0.00 54.13 51.94 1i8f s LEU 28 Cb -0.11 -1.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 1i8f s LEU 28 CO 0.04 -0.30 0.33 0.54 0.23 0.00 0.00 176.35 177.19 1i8f n ARG 29 N -0.92 -0.11 -2.30 1.70 5.12 -0.30 -2.85 116.66 117.01 1i8f n ARG 29 Ca -0.04 0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.74 1i8f n ARG 29 Cb 0.64 -1.77 -0.01 0.00 -1.16 0.00 0.00 32.46 30.17 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 -0.59 -4.53 -3.10 0.55 8.00 -1.26 -3.74 116.55 111.87 1i8f n ASP 30 Ca 0.07 -0.02 -0.23 0.00 0.71 0.00 0.00 54.79 55.32 1i8f n ASP 30 Cb 0.53 -3.67 0.05 0.00 -0.02 0.00 0.00 41.12 38.00 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 -0.87 -6.17 -4.83 -2.24 7.64 -1.18 -5.00 113.62 100.96 1i8f n SER 31 Ca -0.17 -0.34 -0.38 0.00 1.01 0.00 0.00 58.87 58.99 1i8f n SER 31 Cb 0.63 -4.94 -0.06 0.00 -1.01 0.00 0.00 64.21 58.83 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 -3.21 3.69 -0.16 1.43 3.76 -1.13 -4.96 115.29 114.71 1i8f s HIS 32 Ca 0.36 0.91 -0.00 0.00 -0.15 0.00 0.00 55.06 56.18 1i8f s HIS 32 Cb -0.16 -2.25 0.04 0.00 1.11 0.00 0.00 32.58 31.32 1i8f s HIS 32 CO 0.45 0.62 -0.08 -2.00 -0.85 0.00 0.00 174.74 172.88 1i8f s GLU 33 N -0.93 1.73 0.09 1.40 2.12 -1.26 -0.56 118.70 121.29 1i8f s GLU 33 Ca 0.22 -0.57 0.07 0.00 0.36 0.00 0.00 54.97 55.05 1i8f s GLU 33 Cb -0.16 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.14 1i8f s GLU 33 CO 0.11 -0.38 -0.18 0.42 -0.54 0.00 0.00 175.26 174.70 1i8f s ILE 34 N 1.56 1.43 0.04 -3.70 1.01 -0.06 -0.85 121.20 120.63 1i8f s ILE 34 Ca 0.02 -1.44 0.05 0.00 0.00 0.00 0.00 60.65 59.27 1i8f s ILE 34 Cb -0.15 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1i8f s ILE 34 CO -0.08 -0.15 -0.13 -0.13 0.00 0.00 0.00 174.94 174.45 1i8f s ARG 35 N -1.85 0.90 -0.15 2.79 0.52 -0.40 -0.38 118.95 120.38 1i8f s ARG 35 Ca 0.03 -0.74 -0.34 0.00 -0.52 0.00 0.00 55.73 54.16 1i8f s ARG 35 Cb -0.10 -0.90 0.15 0.00 0.52 0.00 0.00 34.95 34.62 1i8f s ARG 35 CO 0.03 0.22 1.38 0.20 0.02 0.00 0.00 175.30 177.15 1i8f s GLY 36 N -1.12 -0.38 -0.15 -3.53 0.00 -0.55 -0.62 107.32 100.97 1i8f s GLY 36 Ca 0.01 1.25 -0.29 0.00 0.00 0.00 0.00 44.72 45.68 1i8f s GLY 36 CO 0.01 0.33 1.15 -0.42 0.00 0.00 0.00 173.10 174.17 1i8f s ILE 37 N -2.13 4.47 -0.26 0.90 1.01 -0.73 0.06 121.20 124.51 1i8f s ILE 37 Ca 0.13 1.77 -0.29 0.00 0.00 0.00 0.00 60.65 62.26 1i8f s ILE 37 Cb 0.04 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 1i8f s ILE 37 CO -0.05 -0.09 1.35 -0.22 0.00 0.00 0.00 174.94 175.93 1i8f s LEU 38 N 2.85 3.94 -0.19 2.97 2.96 -0.48 -1.06 118.68 129.68 1i8f s LEU 38 Ca 0.51 1.37 0.13 0.00 -0.22 0.00 0.00 54.13 55.92 1i8f s LEU 38 Cb -0.20 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.72 1i8f s LEU 38 CO 0.15 -1.05 0.08 0.54 -1.32 0.00 0.00 176.35 174.74 1i8f n ARG 39 N 7.25 0.68 -3.66 1.98 5.12 -0.01 0.24 116.66 128.25 1i8f n ARG 39 Ca 0.15 0.07 -0.05 0.00 -1.93 0.00 0.00 57.85 56.09 1i8f n ARG 39 Cb 0.46 -1.56 -0.02 0.00 -1.16 0.00 0.00 32.46 30.19 1i8f n ARG 39 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1i8f s SER 40 N -5.86 -0.24 0.26 0.55 1.04 -1.16 -4.85 113.70 103.44 1i8f s SER 40 Ca -0.16 -0.26 -0.19 0.00 0.48 0.00 0.00 55.95 55.82 1i8f s SER 40 Cb 0.07 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.66 1i8f s SER 40 CO 0.77 -0.80 0.65 0.72 0.98 0.00 0.00 173.24 175.57 1i8f s PHE 41 N -3.22 -0.11 0.11 5.02 -0.71 -1.26 -0.92 117.98 116.89 1i8f s PHE 41 Ca 0.10 -0.30 0.02 0.00 -1.04 0.00 0.00 56.93 55.70 1i8f s PHE 41 Cb -0.01 0.59 -0.01 0.00 -1.21 0.00 0.00 43.02 42.38 1i8f s PHE 41 CO -0.02 -1.15 0.07 -0.40 -1.34 0.00 0.00 175.22 172.38 1i8f n ASP 42 N -0.43 0.34 0.00 1.98 3.85 -0.97 -4.97 116.55 116.35 1i8f n ASP 42 Ca -0.05 -1.66 0.07 0.00 -0.71 0.00 0.00 54.79 52.44 1i8f n ASP 42 Cb 0.60 0.42 0.30 0.00 -1.35 0.00 0.00 41.12 41.09 1i8f n ASP 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1i8f n GLN 43 N -0.23 0.01 -0.10 0.11 6.02 -1.26 -1.35 117.38 120.58 1i8f n GLN 43 Ca 0.01 0.27 0.12 0.00 -0.01 0.00 0.00 57.00 57.39 1i8f n GLN 43 Cb 0.18 -1.51 0.17 0.00 1.02 0.00 0.00 30.24 30.10 1i8f n GLN 43 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1i8f n HIS 44 N -1.53 0.25 -1.51 1.08 8.25 -1.26 -4.93 115.22 115.57 1i8f n HIS 44 Ca 0.03 -0.13 -0.09 0.00 -0.26 0.00 0.00 57.72 57.28 1i8f n HIS 44 Cb 0.16 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 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 1.41 -0.12 -2.28 1.59 0.31 -0.46 -4.10 118.33 114.67 1i8f n VAL 45 Ca 0.17 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.15 1i8f n VAL 45 Cb 0.60 -1.26 -0.00 0.00 -0.91 0.00 0.00 33.84 32.27 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 -2.82 5.79 0.07 4.52 0.01 -1.26 -3.44 114.94 117.81 1i8f s ASN 46 Ca 0.00 2.14 0.04 0.00 -0.71 0.00 0.00 52.86 54.33 1i8f s ASN 46 Cb 0.00 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 1i8f s ASN 46 CO 0.00 -1.17 -0.11 -0.76 -1.51 0.00 0.00 177.10 173.55 1i8f s LEU 47 N -3.78 2.33 -0.16 0.60 1.43 -0.36 -2.30 118.68 116.44 1i8f s LEU 47 Ca 0.72 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1i8f s LEU 47 Cb -0.23 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.66 1i8f s LEU 47 CO 0.26 -0.19 -0.16 -0.22 0.23 0.00 0.00 176.35 176.27 1i8f s LEU 48 N -2.01 2.43 0.03 1.79 2.96 -0.09 -0.98 118.68 122.80 1i8f s LEU 48 Ca -0.01 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.45 1i8f s LEU 48 Cb -0.07 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 1i8f s LEU 48 CO 0.01 0.07 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.20 1i8f s LEU 49 N 0.92 2.14 0.18 -0.68 1.43 0.03 -0.83 118.68 121.87 1i8f s LEU 49 Ca -0.03 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 1i8f s LEU 49 Cb -0.15 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 1i8f s LEU 49 CO -0.02 0.07 -0.09 -1.61 0.23 0.00 0.00 176.35 174.93 1i8f s GLU 50 N -0.99 2.08 -1.40 1.70 0.41 -0.22 -0.41 118.70 119.86 1i8f s GLU 50 Ca 0.03 -1.24 -0.07 0.00 -0.41 0.00 0.00 54.97 53.27 1i8f s GLU 50 Cb -0.07 -2.18 0.04 0.00 -1.78 0.00 0.00 34.13 30.14 1i8f s GLU 50 CO 0.01 0.44 0.55 -0.25 -0.49 0.00 0.00 175.26 175.52 1i8f n ASP 51 N 0.07 -4.76 -4.81 -0.19 8.00 -0.90 -1.78 116.55 112.19 1i8f n ASP 51 Ca -0.11 -0.35 -0.30 0.00 0.71 0.00 0.00 54.79 54.74 1i8f n ASP 51 Cb 0.55 -3.89 0.08 0.00 -0.02 0.00 0.00 41.12 37.84 1i8f n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i8f s ALA 52 N -3.04 2.36 -0.03 2.24 0.00 0.79 -4.55 121.76 119.53 1i8f s ALA 52 Ca 0.36 -0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.96 1i8f s ALA 52 Cb -0.18 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 19.86 1i8f s ALA 52 CO 0.44 -1.60 0.56 -1.83 0.00 0.00 0.00 175.76 173.34 1i8f s GLU 53 N -5.11 0.95 -0.02 0.00 -1.05 0.21 -0.08 118.70 113.60 1i8f s GLU 53 Ca 0.60 0.08 -0.02 0.00 -0.15 0.00 0.00 54.97 55.48 1i8f s GLU 53 Cb -0.14 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 1i8f s GLU 53 CO 0.55 -0.30 0.11 -1.21 0.95 0.00 0.00 175.26 175.36 1i8f s GLU 54 N -1.38 3.19 -0.39 -4.83 2.02 0.11 -1.28 118.70 116.14 1i8f s GLU 54 Ca -0.11 -0.41 -0.07 0.00 0.02 0.00 0.00 54.97 54.40 1i8f s GLU 54 Cb -0.02 -2.95 0.07 0.00 0.10 0.00 0.00 34.13 31.34 1i8f s GLU 54 CO 0.07 0.67 0.20 0.42 0.02 0.00 0.00 175.26 176.64 1i8f s ILE 55 N -1.21 3.89 -0.17 -1.63 1.09 -0.03 0.30 121.20 123.44 1i8f s ILE 55 Ca 0.23 -1.46 0.01 0.00 -1.10 0.00 0.00 60.65 58.33 1i8f s ILE 55 Cb -0.12 -3.38 0.01 0.00 -1.06 0.00 0.00 42.46 37.91 1i8f s ILE 55 CO 0.14 -0.45 -0.19 -0.63 -0.10 0.00 0.00 174.94 173.71 1i8f s ILE 56 N 1.36 2.22 -1.53 2.92 1.01 -0.12 -4.31 121.20 122.75 1i8f s ILE 56 Ca 0.02 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 1i8f s ILE 56 Cb -0.22 -1.92 0.08 0.00 0.01 0.00 0.00 42.46 40.41 1i8f s ILE 56 CO 0.01 0.53 0.85 0.47 0.00 0.00 0.00 174.94 176.80 1i8f n ASP 57 N 4.41 -3.51 0.00 3.58 8.00 -1.26 -0.74 116.55 127.02 1i8f n ASP 57 Ca -0.20 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1i8f n ASP 57 Cb 0.51 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 38.02 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 -1.65 2.42 3.90 0.44 0.00 -1.26 -4.99 105.19 104.04 1i8f n GLY 58 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.44 6.50 -0.15 1.61 0.02 0.08 -5.07 114.94 114.50 1i8f s ASN 59 Ca 0.00 0.62 -0.07 0.00 -1.02 0.00 0.00 52.86 52.39 1i8f s ASN 59 Cb 0.00 -2.10 -0.04 0.00 0.02 0.00 0.00 41.25 39.12 1i8f s ASN 59 CO 0.00 0.04 0.11 -0.69 0.02 0.00 0.00 177.10 176.58 1i8f s VAL 60 N -1.68 5.24 -0.25 1.60 1.01 -1.26 -0.94 120.40 124.12 1i8f s VAL 60 Ca 0.42 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.52 1i8f s VAL 60 Cb -0.12 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 33.01 1i8f s VAL 60 CO 0.24 0.55 -0.04 -0.31 0.00 0.00 0.00 175.10 175.54 1i8f s TYR 61 N -0.46 2.51 0.23 5.22 1.51 0.15 -4.94 117.35 121.56 1i8f s TYR 61 Ca 0.11 -1.87 -0.30 0.00 -1.01 0.00 0.00 57.07 54.00 1i8f s TYR 61 Cb -0.12 -1.69 -0.09 0.00 -0.11 0.00 0.00 41.96 39.95 1i8f s TYR 61 CO 0.02 -0.80 1.19 0.15 -1.11 0.00 0.00 175.55 175.00 1i8f s LYS 62 N 1.35 4.51 -0.00 -0.62 1.02 -1.26 0.06 119.74 124.80 1i8f s LYS 62 Ca -0.04 1.90 0.00 0.00 0.02 0.00 0.00 55.97 57.85 1i8f s LYS 62 Cb -0.19 -3.21 -0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1i8f s LYS 62 CO -0.07 -0.03 0.00 0.54 -0.92 0.00 0.00 175.35 174.88 1i8f n ARG 63 N 1.98 2.73 0.00 1.68 5.12 0.88 -4.92 116.66 124.13 1i8f n ARG 63 Ca 0.02 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1i8f n ARG 63 Cb 0.44 -1.01 0.00 0.00 -1.16 0.00 0.00 32.46 30.74 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 2.83 0.91 3.74 -0.13 0.00 -1.07 -4.89 105.19 106.58 1i8f n GLY 64 Ca -0.00 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 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 4.13 -0.04 2.61 2.01 -1.26 -0.15 115.64 122.94 1i8f s THR 65 Ca 0.00 1.87 -0.01 0.00 0.31 0.00 0.00 61.69 63.86 1i8f s THR 65 Cb 0.00 -4.20 0.03 0.00 0.01 0.00 0.00 72.50 68.35 1i8f s THR 65 CO 0.00 0.34 0.08 -0.32 -0.69 0.00 0.00 174.62 174.03 1i8f s MET 66 N -0.42 0.02 -0.17 4.92 1.75 0.45 -4.95 119.30 120.90 1i8f s MET 66 Ca 0.47 0.27 -0.08 0.00 -1.25 0.00 0.00 55.69 55.10 1i8f s MET 66 Cb -0.27 -0.21 -0.04 0.00 2.84 0.00 0.00 34.83 37.15 1i8f s MET 66 CO 0.33 -0.16 0.10 0.54 -0.65 0.00 0.00 175.02 175.18 1i8f s VAL 67 N 1.10 5.19 -0.10 10.11 0.11 -1.26 -0.79 120.40 134.76 1i8f s VAL 67 Ca -0.09 0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.09 1i8f s VAL 67 Cb -0.12 -3.32 0.01 0.00 -1.53 0.00 0.00 36.38 31.42 1i8f s VAL 67 CO -0.04 0.50 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.36 1i8f s VAL 68 N -0.08 1.64 0.02 2.04 1.01 -0.15 -4.98 120.40 119.90 1i8f s VAL 68 Ca 0.09 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1i8f s VAL 68 Cb -0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1i8f s VAL 68 CO 0.00 0.47 1.14 -0.13 0.00 0.00 0.00 175.10 176.58 1i8f s ARG 69 N 0.71 4.44 0.55 2.72 0.52 -1.26 -1.22 118.95 125.40 1i8f s ARG 69 Ca -0.12 1.66 0.25 0.00 -0.52 0.00 0.00 55.73 56.99 1i8f s ARG 69 Cb -0.16 -3.42 1.54 0.00 0.52 0.00 0.00 34.95 33.43 1i8f s ARG 69 CO 0.03 -0.25 2.17 0.78 0.02 0.00 0.00 175.30 178.04 1i8f h GLY 70 N 7.12 0.00 0.50 -3.53 0.00 -1.71 -3.01 103.07 102.44 1i8f h GLY 70 Ca -0.40 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.11 1i8f h GLY 70 CO 0.81 0.00 0.55 -2.09 0.00 0.00 0.00 176.54 175.81 1i8f h GLU 71 N 0.00 0.38 -0.41 4.80 4.81 -1.88 -1.15 114.58 121.14 1i8f h GLU 71 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1i8f h GLU 71 Cb 0.10 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1i8f h GLU 71 CO 0.01 0.25 0.00 0.09 -0.73 0.00 0.00 179.01 178.63 1i8f n ASN 72 N -4.48 3.45 -4.73 1.04 3.02 -1.14 -4.96 115.26 107.46 1i8f n ASN 72 Ca 0.17 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.32 1i8f n ASN 72 Cb 0.62 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 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 -1.39 3.29 -0.18 2.41 1.01 -0.44 -1.14 120.40 123.96 1i8f s VAL 73 Ca 0.38 0.99 -0.14 0.00 0.00 0.00 0.00 61.98 63.21 1i8f s VAL 73 Cb 0.22 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 1i8f s VAL 73 CO 0.30 0.12 -0.12 0.18 0.00 0.00 0.00 175.10 175.58 1i8f n LEU 74 N 3.24 1.86 -3.71 3.92 4.77 0.21 -4.90 117.00 122.38 1i8f n LEU 74 Ca 0.08 0.50 -0.10 0.00 -0.03 0.00 0.00 56.01 56.47 1i8f n LEU 74 Cb 0.43 -0.87 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 1i8f n LEU 74 CO 0.58 -0.13 0.24 0.72 -1.33 0.00 0.00 177.39 177.48 1i8f s PHE 75 N -2.41 -0.13 -0.02 -1.77 -0.12 -1.21 -5.02 117.98 107.30 1i8f s PHE 75 Ca -0.23 -0.20 0.01 0.00 -0.05 0.00 0.00 56.93 56.45 1i8f s PHE 75 Cb 0.05 0.35 0.02 0.00 -0.63 0.00 0.00 43.02 42.81 1i8f s PHE 75 CO 0.38 -0.86 -0.03 0.42 -0.05 0.00 0.00 175.22 175.08 1i8f s ILE 76 N -3.86 0.34 -0.08 -4.49 1.01 -1.26 -2.39 121.20 110.48 1i8f s ILE 76 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 1i8f s ILE 76 Cb -0.00 -0.37 0.05 0.00 0.01 0.00 0.00 42.46 42.14 1i8f s ILE 76 CO -0.05 0.15 0.16 -0.94 0.00 0.00 0.00 174.94 174.27 1i8f s SER 77 N 0.61 0.65 0.27 3.58 1.04 -0.26 -4.98 113.70 114.60 1i8f s SER 77 Ca -0.07 0.34 -0.31 0.00 0.48 0.00 0.00 55.95 56.39 1i8f s SER 77 Cb -0.10 0.28 -0.12 0.00 0.10 0.00 0.00 66.02 66.18 1i8f s SER 77 CO -0.01 -0.23 1.58 -0.81 0.98 0.00 0.00 173.24 174.75 1i8f n PRO 78 N 5.21 2.57 -2.29 4.02 -0.04 -1.26 -0.43 135.00 142.78 1i8f n PRO 78 Ca -0.07 0.92 -0.43 0.00 -0.04 0.00 0.00 63.50 63.88 1i8f n PRO 78 Cb 0.50 -2.68 -0.02 0.00 -0.04 0.00 0.00 33.50 31.25 1i8f n PRO 78 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1i8f s VAL 79 N 0.19 3.91 0.27 0.52 1.01 -0.64 -4.82 120.40 120.84 1i8f s VAL 79 Ca 0.67 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1i8f s VAL 79 Cb -0.53 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 31.84 1i8f s VAL 79 CO 0.46 -0.49 0.64 -2.65 0.00 0.00 0.00 175.10 173.06 1i8f n PRO 80 N 7.67 0.01 0.00 2.72 -0.02 -1.26 -4.92 135.00 139.21 1i8f n PRO 80 Ca 0.17 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1i8f n PRO 80 Cb 0.47 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1i8f n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89