#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8o n GLY 2 N 0.00 1.00 3.85 -5.12 0.00 -1.26 -5.04 105.19 98.62 1k8o n GLY 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1k8o n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k8o s GLN 3 N -0.26 3.96 0.07 1.61 -0.21 -1.26 -5.08 119.66 118.50 1k8o s GLN 3 Ca 0.00 0.82 0.09 0.00 0.02 0.00 0.00 55.36 56.28 1k8o s GLN 3 Cb 0.00 -2.25 -0.03 0.00 1.00 0.00 0.00 33.01 31.72 1k8o s GLN 3 CO 0.00 -0.10 -0.22 0.14 -2.12 0.00 0.00 175.29 172.99 1k8o s VAL 4 N -2.38 2.56 -0.20 1.09 -7.23 -1.26 -4.70 120.40 108.27 1k8o s VAL 4 Ca 0.57 -1.39 -0.13 0.00 -1.81 0.00 0.00 61.98 59.21 1k8o s VAL 4 Cb -0.10 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 1k8o s VAL 4 CO 0.26 0.26 0.28 0.68 -0.31 0.00 0.00 175.10 176.26 1k8o s VAL 5 N -0.96 5.29 -0.05 1.32 -7.23 0.62 -4.80 120.40 114.60 1k8o s VAL 5 Ca 0.14 0.46 -0.04 0.00 -1.81 0.00 0.00 61.98 60.74 1k8o s VAL 5 Cb -0.10 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 1k8o s VAL 5 CO 0.06 0.33 0.14 -1.10 -0.31 0.00 0.00 175.10 174.22 1k8o s GLN 6 N 0.95 3.36 -0.07 4.82 -0.21 -1.26 -0.58 119.66 126.67 1k8o s GLN 6 Ca 0.14 -0.29 0.02 0.00 0.02 0.00 0.00 55.36 55.25 1k8o s GLN 6 Cb -0.14 -3.07 -0.03 0.00 1.00 0.00 0.00 33.01 30.77 1k8o s GLN 6 CO 0.05 0.71 -0.10 0.12 -2.12 0.00 0.00 175.29 173.95 1k8o s PHE 7 N -1.19 2.85 0.03 0.91 5.36 -0.38 -4.97 117.98 120.59 1k8o s PHE 7 Ca 0.22 -0.09 0.06 0.00 -0.96 0.00 0.00 56.93 56.16 1k8o s PHE 7 Cb -0.12 -1.70 -0.02 0.00 -0.34 0.00 0.00 43.02 40.84 1k8o s PHE 7 CO 0.12 0.24 -0.17 -1.59 -1.46 0.00 0.00 175.22 172.37 1k8o s LYS 8 N -0.68 1.20 -0.39 10.12 -2.85 -1.26 -1.14 119.74 124.73 1k8o s LYS 8 Ca 0.10 -0.77 -0.42 0.00 -1.00 0.00 0.00 55.97 53.89 1k8o s LYS 8 Cb -0.11 -1.23 -0.16 0.00 -2.06 0.00 0.00 37.83 34.26 1k8o s LYS 8 CO 0.01 0.32 1.89 -0.11 0.10 0.00 0.00 175.35 177.56 1k8o n LEU 9 N 2.10 1.73 -3.66 2.77 -0.00 -1.26 -4.93 117.00 113.74 1k8o n LEU 9 Ca -0.17 0.88 -0.20 0.00 -0.00 0.00 0.00 56.01 56.52 1k8o n LEU 9 Cb 0.54 -1.05 -0.17 0.00 -0.00 0.00 0.00 43.42 42.73 1k8o n LEU 9 CO 0.23 -0.65 -0.32 -0.94 -0.00 0.00 0.00 177.39 175.71 1k8o s SER 10 N 4.73 1.22 0.00 1.96 1.04 -1.26 -4.05 113.70 117.34 1k8o s SER 10 Ca 1.07 0.04 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1k8o s SER 10 Cb -1.22 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 64.82 1k8o s SER 10 CO 0.66 -0.26 0.00 -0.90 0.98 0.00 0.00 173.24 173.72 1k8o n ASP 11 N 5.30 0.00 -4.88 7.02 5.75 -1.26 -4.98 116.55 123.50 1k8o n ASP 11 Ca -0.04 0.00 -0.24 0.00 -0.01 0.00 0.00 54.79 54.50 1k8o n ASP 11 Cb 0.50 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.57 1k8o n ASP 11 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1k8o s ILE 12 N 0.00 2.08 0.34 2.12 -0.00 -1.26 -4.98 121.20 119.49 1k8o s ILE 12 Ca 0.00 -1.44 -0.27 0.00 -0.00 0.00 0.00 60.65 58.93 1k8o s ILE 12 Cb 0.00 -2.52 -0.09 0.00 -0.00 0.00 0.00 42.46 39.85 1k8o s ILE 12 CO 0.00 0.00 1.14 -0.83 -0.00 0.00 0.00 174.94 175.25 1k8o s GLY 13 N -4.21 2.96 -0.98 6.27 0.00 -1.26 -4.88 107.32 105.21 1k8o s GLY 13 Ca 0.41 0.95 -0.25 0.00 0.00 0.00 0.00 44.72 45.83 1k8o s GLY 13 CO 0.24 1.51 1.95 -1.84 0.00 0.00 0.00 173.10 174.97 1k8o n GLU 14 N 0.65 0.98 0.00 2.90 0.28 -1.26 -1.78 120.64 122.42 1k8o n GLU 14 Ca 0.01 -2.01 0.00 0.00 -0.16 0.00 0.00 57.16 55.00 1k8o n GLU 14 Cb 0.45 -3.56 0.00 0.00 1.43 0.00 0.00 31.44 29.76 1k8o n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k8o n GLY 15 N 5.64 0.35 0.00 -1.84 0.00 -1.26 -5.07 105.19 103.00 1k8o n GLY 15 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1k8o n GLY 15 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k8o n ILE 16 N 0.00 0.00 -1.44 -0.61 -5.35 -0.73 -5.03 119.36 106.20 1k8o n ILE 16 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.12 1k8o n ILE 16 Cb 0.00 -1.72 0.09 0.00 -1.74 0.00 0.00 39.64 36.27 1k8o n ILE 16 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1k8o n ARG 17 N -0.12 0.67 -2.97 6.28 3.00 -1.26 -4.96 116.66 117.31 1k8o n ARG 17 Ca 0.00 0.29 -0.19 0.00 -0.00 0.00 0.00 57.85 57.96 1k8o n ARG 17 Cb 0.00 -2.41 0.04 0.00 0.00 0.00 0.00 32.46 30.09 1k8o n ARG 17 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1k8o s GLU 18 N -3.55 2.55 0.10 -0.14 2.02 -1.26 -4.79 118.70 113.62 1k8o s GLU 18 Ca 0.77 -1.35 0.07 0.00 0.02 0.00 0.00 54.97 54.49 1k8o s GLU 18 Cb -0.35 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.18 1k8o s GLU 18 CO 0.46 -0.59 -0.17 0.54 0.02 0.00 0.00 175.26 175.52 1k8o s VAL 19 N -2.55 1.44 0.15 2.63 0.11 -1.13 -4.94 120.40 116.11 1k8o s VAL 19 Ca 0.58 -1.52 0.01 0.00 -2.93 0.00 0.00 61.98 58.12 1k8o s VAL 19 Cb -0.08 -1.40 -0.04 0.00 -1.53 0.00 0.00 36.38 33.33 1k8o s VAL 19 CO 0.36 -0.20 0.31 -0.89 -3.33 0.00 0.00 175.10 171.35 1k8o s THR 20 N -1.44 5.29 0.04 5.04 2.01 -1.26 -0.14 115.64 125.17 1k8o s THR 20 Ca 0.05 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 1k8o s THR 20 Cb -0.09 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1k8o s THR 20 CO 0.03 -0.07 0.99 -0.69 -0.69 0.00 0.00 174.62 174.20 1k8o s VAL 21 N -1.73 4.71 -0.09 3.82 1.01 -1.08 -3.87 120.40 123.16 1k8o s VAL 21 Ca 0.36 2.02 -0.00 0.00 0.00 0.00 0.00 61.98 64.36 1k8o s VAL 21 Cb -0.11 -4.30 -0.25 0.00 0.00 0.00 0.00 36.38 31.72 1k8o s VAL 21 CO 0.28 0.20 0.48 1.17 0.00 0.00 0.00 175.10 177.23 1k8o n LYS 22 N 3.57 0.72 -3.94 2.72 3.00 0.46 -4.00 118.16 120.70 1k8o n LYS 22 Ca 0.05 0.28 -0.12 0.00 -0.00 0.00 0.00 58.31 58.52 1k8o n LYS 22 Cb 0.50 -1.74 -0.13 0.00 0.00 0.00 0.00 35.03 33.66 1k8o n LYS 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1k8o s GLU 23 N -2.57 0.15 -0.13 1.64 2.02 -0.67 -4.91 118.70 114.22 1k8o s GLU 23 Ca -0.16 -0.21 -0.02 0.00 0.02 0.00 0.00 54.97 54.60 1k8o s GLU 23 Cb 0.07 -0.03 0.04 0.00 0.10 0.00 0.00 34.13 34.31 1k8o s GLU 23 CO 0.79 0.00 -0.01 -1.58 0.02 0.00 0.00 175.26 174.48 1k8o s TRP 24 N -0.45 1.05 -0.25 1.61 0.52 -1.26 -0.84 118.94 119.32 1k8o s TRP 24 Ca -0.04 -0.59 0.10 0.00 0.02 0.00 0.00 56.10 55.59 1k8o s TRP 24 Cb -0.03 -1.01 0.46 0.00 -1.15 0.00 0.00 33.47 31.74 1k8o s TRP 24 CO -0.00 -0.48 1.35 0.66 0.02 0.00 0.00 176.95 178.49 1k8o n TYR 25 N 5.05 0.56 -3.92 -1.98 4.01 -1.05 -5.03 117.16 114.80 1k8o n TYR 25 Ca -0.09 -1.54 -0.08 0.00 -0.16 0.00 0.00 57.90 56.03 1k8o n TYR 25 Cb 0.49 -0.37 -0.04 0.00 -0.31 0.00 0.00 39.34 39.11 1k8o n TYR 25 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1k8o s VAL 26 N -3.23 0.00 0.16 -0.72 -7.23 -1.25 -4.69 120.40 103.44 1k8o s VAL 26 Ca 0.41 -1.19 -0.08 0.00 -1.81 0.00 0.00 61.98 59.31 1k8o s VAL 26 Cb 0.39 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 35.25 1k8o s VAL 26 CO -0.03 -0.01 0.25 -0.54 -0.31 0.00 0.00 175.10 174.45 1k8o s LYS 27 N -3.97 1.12 0.26 4.82 1.02 -1.26 -5.07 119.74 116.65 1k8o s LYS 27 Ca 0.17 -1.21 -0.31 0.00 0.02 0.00 0.00 55.97 54.64 1k8o s LYS 27 Cb -0.03 0.36 -0.13 0.00 -0.52 0.00 0.00 37.83 37.51 1k8o s LYS 27 CO 0.07 -0.40 1.50 0.39 -0.92 0.00 0.00 175.35 176.00 1k8o n GLU 28 N -0.19 2.33 -0.90 1.68 4.71 -1.26 -0.65 120.64 126.35 1k8o n GLU 28 Ca -0.07 0.83 0.00 0.00 -0.01 0.00 0.00 57.16 57.91 1k8o n GLU 28 Cb 0.63 -2.55 0.00 0.00 -1.01 0.00 0.00 31.44 28.51 1k8o n GLU 28 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1k8o n GLY 29 N 2.26 0.43 3.93 0.62 0.00 0.45 -4.87 105.19 108.00 1k8o n GLY 29 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1k8o n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k8o s ASP 30 N -2.27 6.39 -0.06 1.61 2.15 0.31 -4.78 116.67 120.02 1k8o s ASP 30 Ca 0.00 0.41 -0.05 0.00 0.43 0.00 0.00 52.55 53.33 1k8o s ASP 30 Cb 0.00 -2.01 -0.04 0.00 -0.30 0.00 0.00 42.92 40.57 1k8o s ASP 30 CO 0.00 -0.04 0.17 -0.89 -0.17 0.00 0.00 175.17 174.24 1k8o s THR 31 N -1.86 5.46 0.36 1.71 2.01 -1.26 0.15 115.64 122.20 1k8o s THR 31 Ca 0.39 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.51 1k8o s THR 31 Cb -0.11 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1k8o s THR 31 CO 0.29 0.48 0.50 -0.69 -0.69 0.00 0.00 174.62 174.51 1k8o s VAL 32 N -1.17 3.88 0.40 3.82 1.01 0.48 -4.91 120.40 123.91 1k8o s VAL 32 Ca 0.21 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.29 1k8o s VAL 32 Cb -0.12 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1k8o s VAL 32 CO 0.11 -0.14 0.20 -0.55 0.00 0.00 0.00 175.10 174.72 1k8o s SER 33 N -4.21 2.51 0.34 3.32 0.15 -1.21 -1.76 113.70 112.85 1k8o s SER 33 Ca 0.47 -1.76 0.12 0.00 0.70 0.00 0.00 55.95 55.48 1k8o s SER 33 Cb -0.10 0.61 0.60 0.00 -1.71 0.00 0.00 66.02 65.42 1k8o s SER 33 CO 0.32 -1.03 1.75 1.56 1.20 0.00 0.00 173.24 177.04 1k8o h GLN 34 N 1.85 0.00 0.00 5.44 4.20 -1.89 -3.07 115.11 121.64 1k8o h GLN 34 Ca -0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1k8o h GLN 34 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1k8o h GLN 34 CO 0.47 0.46 -1.95 0.34 -0.67 0.00 0.00 178.83 177.47 1k8o n PHE 35 N -3.99 0.02 -3.01 2.96 7.35 -1.26 -4.24 117.46 115.29 1k8o n PHE 35 Ca -0.02 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.24 1k8o n PHE 35 Cb 0.48 -0.49 -0.05 0.00 0.35 0.00 0.00 39.48 39.77 1k8o n PHE 35 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1k8o s ASP 36 N -4.49 6.21 0.66 -2.13 1.11 -1.16 -5.04 116.67 111.84 1k8o s ASP 36 Ca -0.07 -1.00 -0.13 0.00 0.18 0.00 0.00 52.55 51.52 1k8o s ASP 36 Cb 0.14 -2.35 -0.00 0.00 1.07 0.00 0.00 42.92 41.78 1k8o s ASP 36 CO 0.91 -1.17 1.07 -0.94 1.18 0.00 0.00 175.17 176.22 1k8o s SER 37 N 3.27 5.35 -0.00 0.27 1.04 -1.26 -3.31 113.70 119.06 1k8o s SER 37 Ca 0.18 1.78 -0.00 0.00 0.48 0.00 0.00 55.95 58.40 1k8o s SER 37 Cb -0.19 -2.52 -0.00 0.00 0.10 0.00 0.00 66.02 63.41 1k8o s SER 37 CO 0.11 -1.46 -0.00 0.40 0.98 0.00 0.00 173.24 173.26 1k8o h ILE 38 N -0.24 0.00 -3.90 -1.02 2.04 -1.72 -3.29 117.51 109.38 1k8o h ILE 38 Ca -0.45 -0.02 -0.19 0.00 1.00 0.00 0.00 64.86 65.20 1k8o h ILE 38 Cb 1.22 0.00 -0.23 0.00 -0.74 0.00 0.00 36.82 37.07 1k8o h ILE 38 CO 0.56 0.00 -0.70 0.00 0.00 0.00 0.00 178.15 178.01 1k8o s GLU 40 N -1.06 1.42 0.03 0.00 0.41 -0.02 -1.30 118.70 118.17 1k8o s GLU 40 Ca -0.12 -0.27 0.08 0.00 -0.41 0.00 0.00 54.97 54.25 1k8o s GLU 40 Cb -0.07 -1.34 -0.02 0.00 -1.78 0.00 0.00 34.13 30.91 1k8o s GLU 40 CO -0.01 -0.12 -0.23 0.14 -0.49 0.00 0.00 175.26 174.56 1k8o s VAL 41 N 1.16 1.81 -0.09 2.63 -7.23 -0.77 0.17 120.40 118.09 1k8o s VAL 41 Ca -0.06 -1.20 -0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1k8o s VAL 41 Cb -0.14 -1.55 0.02 0.00 0.56 0.00 0.00 36.38 35.27 1k8o s VAL 41 CO -0.02 0.31 -0.07 -1.10 -0.31 0.00 0.00 175.10 173.91 1k8o s GLN 42 N -1.06 1.35 0.15 4.82 -0.21 -1.25 -0.92 119.66 122.55 1k8o s GLN 42 Ca 0.09 -0.21 0.05 0.00 0.02 0.00 0.00 55.36 55.31 1k8o s GLN 42 Cb -0.09 -1.40 -0.04 0.00 1.00 0.00 0.00 33.01 32.49 1k8o s GLN 42 CO 0.01 -0.21 0.12 0.45 -2.12 0.00 0.00 175.29 173.55 1k8o s SER 43 N 1.52 5.50 0.60 5.90 0.15 0.11 -4.76 113.70 122.70 1k8o s SER 43 Ca 0.00 -0.12 0.29 0.00 0.70 0.00 0.00 55.95 56.82 1k8o s SER 43 Cb -0.13 -1.43 1.42 0.00 -1.71 0.00 0.00 66.02 64.17 1k8o s SER 43 CO -0.05 0.09 1.83 -0.78 1.20 0.00 0.00 173.24 175.52 1k8o h ASP 44 N 2.56 0.00 0.00 5.45 1.82 -2.00 -2.81 116.42 121.43 1k8o h ASP 44 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 1k8o h ASP 44 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1k8o h ASP 44 CO 0.63 0.00 -0.20 0.50 -1.61 0.00 0.00 179.24 178.57 1k8o h LYS 45 N 0.00 0.00 -4.87 0.28 3.64 -2.01 -3.49 116.57 110.12 1k8o h LYS 45 Ca 0.23 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.30 1k8o h LYS 45 Cb 1.35 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.98 1k8o h LYS 45 CO -0.00 0.00 -0.74 0.00 -2.27 0.00 0.00 179.45 176.44 1k8o s ALA 46 N -2.86 0.93 -0.18 5.00 0.00 -1.06 -5.14 121.76 118.44 1k8o s ALA 46 Ca -0.06 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 1k8o s ALA 46 Cb 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 1k8o s ALA 46 CO 0.09 -0.01 -0.09 -1.54 0.00 0.00 0.00 175.76 174.20 1k8o s SER 47 N -2.07 4.04 0.12 0.00 1.04 -1.26 -0.72 113.70 114.86 1k8o s SER 47 Ca -0.01 -0.41 0.08 0.00 0.48 0.00 0.00 55.95 56.10 1k8o s SER 47 Cb -0.06 -1.66 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 1k8o s SER 47 CO 0.00 0.04 -0.14 -0.69 0.98 0.00 0.00 173.24 173.44 1k8o s VAL 48 N 1.08 3.09 -0.05 5.02 1.01 -0.09 -4.97 120.40 125.49 1k8o s VAL 48 Ca 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 60.58 1k8o s VAL 48 Cb -0.15 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1k8o s VAL 48 CO -0.02 0.07 -0.12 0.42 0.00 0.00 0.00 175.10 175.45 1k8o s THR 49 N -1.25 1.09 -0.46 3.92 -4.23 -1.26 -1.84 115.64 111.60 1k8o s THR 49 Ca 0.20 -0.50 -0.17 0.00 -1.18 0.00 0.00 61.69 60.05 1k8o s THR 49 Cb -0.11 -0.98 0.05 0.00 1.34 0.00 0.00 72.50 72.81 1k8o s THR 49 CO 0.12 0.33 0.44 -0.63 -0.54 0.00 0.00 174.62 174.35 1k8o s ILE 50 N 0.36 5.13 0.66 2.99 -1.09 -0.42 -5.02 121.20 123.81 1k8o s ILE 50 Ca -0.08 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 1k8o s ILE 50 Cb -0.12 -4.13 0.13 0.00 -1.58 0.00 0.00 42.46 36.76 1k8o s ILE 50 CO 0.02 -0.57 0.90 0.41 -1.23 0.00 0.00 174.94 174.47 1k8o n THR 51 N 5.33 0.00 -0.00 2.92 -1.04 -1.26 -2.22 114.28 118.01 1k8o n THR 51 Ca -0.10 -1.44 -0.00 0.00 -2.04 0.00 0.00 64.05 60.47 1k8o n THR 51 Cb 0.45 -0.92 -0.00 0.00 -1.82 0.00 0.00 70.33 68.04 1k8o n THR 51 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1k8o n SER 52 N -2.89 3.06 -0.14 8.00 2.88 -1.26 -4.69 113.62 118.58 1k8o n SER 52 Ca 0.15 -0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.67 1k8o n SER 52 Cb 0.54 -0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.99 1k8o n SER 52 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1k8o n ARG 53 N -2.62 -1.47 -3.74 -1.46 5.12 -1.26 -4.85 116.66 106.37 1k8o n ARG 53 Ca -0.00 0.46 0.03 0.00 -1.93 0.00 0.00 57.85 56.40 1k8o n ARG 53 Cb 0.50 -4.60 0.00 0.00 -1.16 0.00 0.00 32.46 27.20 1k8o n ARG 53 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1k8o s TYR 54 N -1.40 -0.01 -0.29 -1.55 2.02 -1.26 -4.88 117.35 109.98 1k8o s TYR 54 Ca 0.00 -0.07 -0.15 0.00 -0.37 0.00 0.00 57.07 56.48 1k8o s TYR 54 Cb 0.00 0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 42.07 1k8o s TYR 54 CO 0.00 -0.20 0.36 0.16 -1.57 0.00 0.00 175.55 174.30 1k8o s ASP 55 N -3.30 6.22 0.31 2.29 1.47 -1.26 -3.31 116.67 119.09 1k8o s ASP 55 Ca 0.20 0.11 0.07 0.00 1.18 0.00 0.00 52.55 54.12 1k8o s ASP 55 Cb 0.04 -2.20 -0.06 0.00 -0.34 0.00 0.00 42.92 40.35 1k8o s ASP 55 CO -0.03 -0.23 -0.06 -0.83 0.68 0.00 0.00 175.17 174.70 1k8o s GLY 56 N 1.68 2.00 -0.26 2.12 0.00 -0.72 -4.82 107.32 107.32 1k8o s GLY 56 Ca 0.14 -2.00 -0.08 0.00 0.00 0.00 0.00 44.72 42.78 1k8o s GLY 56 CO 0.11 -1.91 0.10 0.14 0.00 0.00 0.00 173.10 171.53 1k8o s VAL 57 N -2.90 4.50 -0.19 1.40 1.01 -0.98 0.18 120.40 123.43 1k8o s VAL 57 Ca 0.31 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 1k8o s VAL 57 Cb 0.04 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1k8o s VAL 57 CO 0.14 0.29 0.17 -0.63 0.00 0.00 0.00 175.10 175.07 1k8o s ILE 58 N 1.64 5.39 -0.23 2.22 1.01 0.39 -1.08 121.20 130.53 1k8o s ILE 58 Ca 0.06 0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.94 1k8o s ILE 58 Cb -0.15 -3.51 -0.18 0.00 0.01 0.00 0.00 42.46 38.63 1k8o s ILE 58 CO 0.05 0.44 -0.11 1.17 0.00 0.00 0.00 174.94 176.49 1k8o n LYS 59 N 3.47 0.65 -3.76 2.79 4.81 -0.92 0.17 118.16 125.36 1k8o n LYS 59 Ca -0.15 0.23 -0.12 0.00 -0.87 0.00 0.00 58.31 57.40 1k8o n LYS 59 Cb 0.52 -1.57 -0.08 0.00 0.02 0.00 0.00 35.03 33.93 1k8o n LYS 59 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1k8o s LYS 60 N -2.51 0.79 -0.04 1.64 0.00 -1.26 -1.13 119.74 117.22 1k8o s LYS 60 Ca -0.33 -0.49 -0.00 0.00 0.00 0.00 0.00 55.97 55.14 1k8o s LYS 60 Cb 0.10 0.34 0.03 0.00 0.00 0.00 0.00 37.83 38.29 1k8o s LYS 60 CO 0.61 -0.25 -0.00 -0.51 0.00 0.00 0.00 175.35 175.20 1k8o s LEU 61 N -2.01 0.94 -0.24 2.77 1.43 -1.26 -4.07 118.68 116.24 1k8o s LEU 61 Ca -0.06 -0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 52.93 1k8o s LEU 61 Cb -0.01 -0.32 -0.13 0.00 0.03 0.00 0.00 46.19 45.76 1k8o s LEU 61 CO -0.03 -0.13 -0.27 0.00 0.23 0.00 0.00 176.35 176.16 1k8o n TYR 62 N 4.50 0.00 -3.26 0.29 9.36 -1.25 -4.93 117.16 121.87 1k8o n TYR 62 Ca -0.19 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.72 1k8o n TYR 62 Cb 0.50 -0.88 -0.05 0.00 -0.63 0.00 0.00 39.34 38.28 1k8o n TYR 62 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1k8o s TYR 63 N -2.45 3.42 0.25 2.98 2.02 -1.26 -5.01 117.35 117.29 1k8o s TYR 63 Ca -0.33 0.96 0.03 0.00 -0.37 0.00 0.00 57.07 57.37 1k8o s TYR 63 Cb 0.11 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.32 1k8o s TYR 63 CO 0.48 0.16 0.12 0.09 -1.57 0.00 0.00 175.55 174.83 1k8o n ASN 64 N -0.44 0.67 0.15 2.29 4.13 -1.26 -4.95 115.26 115.84 1k8o n ASN 64 Ca 0.01 -2.41 0.19 0.00 1.68 0.00 0.00 54.58 54.05 1k8o n ASN 64 Cb 0.53 0.79 0.73 0.00 -1.54 0.00 0.00 39.78 40.29 1k8o n ASN 64 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1k8o h LEU 65 N 0.00 0.00 0.00 3.41 4.07 -1.91 -1.70 115.31 119.18 1k8o h LEU 65 Ca -0.19 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.62 1k8o h LEU 65 Cb 0.78 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.50 1k8o h LEU 65 CO 0.30 0.00 -1.79 -0.67 -1.08 0.00 0.00 178.44 175.20 1k8o n ASP 66 N -3.43 1.83 -4.82 -0.43 2.03 -1.26 -4.13 116.55 106.34 1k8o n ASP 66 Ca 0.05 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.04 1k8o n ASP 66 Cb 0.61 1.12 -0.02 0.00 -0.72 0.00 0.00 41.12 42.12 1k8o n ASP 66 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1k8o s ASP 67 N -4.21 6.26 -0.04 1.67 -1.08 -0.64 -4.82 116.67 113.81 1k8o s ASP 67 Ca -0.06 1.71 -0.02 0.00 -0.52 0.00 0.00 52.55 53.66 1k8o s ASP 67 Cb 0.06 -2.52 -0.04 0.00 -1.46 0.00 0.00 42.92 38.96 1k8o s ASP 67 CO 0.54 -0.84 0.07 -0.63 0.52 0.00 0.00 175.17 174.84 1k8o s ILE 68 N -2.48 4.75 0.09 4.11 -1.09 -1.26 -2.63 121.20 122.68 1k8o s ILE 68 Ca 0.62 -0.27 0.06 0.00 -2.23 0.00 0.00 60.65 58.82 1k8o s ILE 68 Cb -0.13 -3.11 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 1k8o s ILE 68 CO 0.32 0.46 -0.06 0.00 -1.23 0.00 0.00 174.94 174.42 1k8o s ALA 69 N -1.09 3.08 0.07 9.38 0.00 0.80 -4.93 121.76 129.07 1k8o s ALA 69 Ca 0.19 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 51.02 1k8o s ALA 69 Cb -0.12 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1k8o s ALA 69 CO 0.09 0.66 -0.03 0.71 0.00 0.00 0.00 175.76 177.19 1k8o s TYR 70 N -1.23 2.92 -0.02 0.00 2.02 -1.26 -2.82 117.35 116.96 1k8o s TYR 70 Ca 0.22 -0.05 -0.27 0.00 -0.37 0.00 0.00 57.07 56.61 1k8o s TYR 70 Cb -0.11 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 1k8o s TYR 70 CO 0.15 0.45 0.84 0.08 -1.57 0.00 0.00 175.55 175.49 1k8o s VAL 71 N -1.22 4.93 0.00 0.71 1.01 -1.26 -4.10 120.40 120.47 1k8o s VAL 71 Ca 0.23 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.96 1k8o s VAL 71 Cb -0.11 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1k8o s VAL 71 CO 0.15 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1k8o n GLY 72 N 2.93 1.46 3.55 4.51 0.00 -1.26 -4.72 105.19 111.66 1k8o n GLY 72 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1k8o n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k8o s LYS 73 N -0.15 0.62 0.68 1.61 2.20 -1.26 -5.14 119.74 118.30 1k8o s LYS 73 Ca 0.00 1.13 -0.17 0.00 -0.36 0.00 0.00 55.97 56.57 1k8o s LYS 73 Cb 0.00 0.14 -0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1k8o s LYS 73 CO 0.00 -0.16 1.17 -2.30 -0.36 0.00 0.00 175.35 173.71 1k8o n PRO 74 N 4.38 0.84 0.00 4.03 -0.02 -1.26 -4.24 135.00 138.73 1k8o n PRO 74 Ca -0.20 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1k8o n PRO 74 Cb 0.57 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1k8o n PRO 74 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1k8o n LEU 75 N -1.88 0.66 -3.87 2.45 -0.00 -0.29 -4.94 117.00 109.13 1k8o n LEU 75 Ca 0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 56.04 1k8o n LEU 75 Cb 0.49 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.77 1k8o n LEU 75 CO 0.48 0.11 -0.36 0.54 -0.00 0.00 0.00 177.39 178.16 1k8o s VAL 76 N -1.87 0.01 -0.24 1.47 0.11 -1.10 -3.96 120.40 114.82 1k8o s VAL 76 Ca 0.00 -0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 58.93 1k8o s VAL 76 Cb 0.00 -0.03 -0.03 0.00 -1.53 0.00 0.00 36.38 34.79 1k8o s VAL 76 CO 0.00 -0.02 0.08 -1.81 -3.33 0.00 0.00 175.10 170.02 1k8o s ASP 77 N -0.07 5.31 0.04 3.54 1.01 -1.26 -1.24 116.67 123.99 1k8o s ASP 77 Ca -0.01 -0.13 0.03 0.00 0.71 0.00 0.00 52.55 53.15 1k8o s ASP 77 Cb -0.00 -1.95 -0.02 0.00 1.01 0.00 0.00 42.92 41.96 1k8o s ASP 77 CO -0.00 0.00 -0.09 -0.63 0.21 0.00 0.00 175.17 174.67 1k8o s ILE 78 N 1.39 0.65 -0.34 0.77 1.09 0.25 -2.17 121.20 122.83 1k8o s ILE 78 Ca 0.05 -0.94 -0.15 0.00 -1.10 0.00 0.00 60.65 58.52 1k8o s ILE 78 Cb -0.15 -0.66 -0.01 0.00 -1.06 0.00 0.00 42.46 40.58 1k8o s ILE 78 CO 0.04 -0.23 0.34 -1.61 -0.10 0.00 0.00 174.94 173.39 1k8o s GLU 79 N -1.27 3.53 0.04 2.79 0.41 -0.24 0.23 118.70 124.18 1k8o s GLU 79 Ca -0.06 -0.48 -0.01 0.00 -0.41 0.00 0.00 54.97 54.02 1k8o s GLU 79 Cb -0.08 -3.81 -0.03 0.00 -1.78 0.00 0.00 34.13 28.43 1k8o s GLU 79 CO 0.01 -0.52 -0.02 0.99 -0.49 0.00 0.00 175.26 175.23 1k8o s THR 80 N 1.96 0.17 0.74 3.63 2.01 -1.26 -2.33 115.64 120.57 1k8o s THR 80 Ca 0.11 -1.44 -0.15 0.00 0.31 0.00 0.00 61.69 60.51 1k8o s THR 80 Cb -0.17 -1.04 0.03 0.00 0.01 0.00 0.00 72.50 71.34 1k8o s THR 80 CO 0.11 -0.79 1.08 1.21 -0.69 0.00 0.00 174.62 175.54 1k8o n GLU 81 N 0.67 0.48 -1.39 4.92 2.13 -1.26 -4.75 120.64 121.45 1k8o n GLU 81 Ca -0.18 0.23 -0.57 0.00 0.66 0.00 0.00 57.16 57.30 1k8o n GLU 81 Cb 0.59 -2.33 -0.10 0.00 0.27 0.00 0.00 31.44 29.87 1k8o n GLU 81 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1k8o n ALA 82 N -2.69 0.45 -2.45 4.31 0.00 -1.26 -4.93 120.51 113.94 1k8o n ALA 82 Ca 0.14 0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.43 1k8o n ALA 82 Cb 0.50 -2.27 -0.14 0.00 0.00 0.00 0.00 19.45 17.54 1k8o n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k8o s LEU 83 N 6.16 2.18 0.63 0.00 1.02 -1.26 -5.01 118.68 122.39 1k8o s LEU 83 Ca 1.13 -0.55 0.34 0.00 0.02 0.00 0.00 54.13 55.08 1k8o s LEU 83 Cb -1.21 -1.04 1.93 0.00 0.02 0.00 0.00 46.19 45.89 1k8o s LEU 83 CO 0.60 0.18 2.19 0.11 0.02 0.00 0.00 176.35 179.45 1k8o h LYS 84 N 4.80 0.00 -0.90 1.70 1.57 -1.92 -2.08 116.57 119.74 1k8o h LYS 84 Ca -0.44 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.54 1k8o h LYS 84 Cb 1.16 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.30 1k8o h LYS 84 CO 0.43 0.00 -0.16 0.22 -0.57 0.00 0.00 179.45 179.37 1k8o h ASP 85 N 0.00 -0.73 0.00 0.86 3.58 -1.98 -2.80 116.42 115.35 1k8o h ASP 85 Ca 0.03 0.27 -0.08 0.00 0.42 0.00 0.00 57.03 57.66 1k8o h ASP 85 Cb 0.27 0.53 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 1k8o h ASP 85 CO -0.00 -0.30 -1.56 -0.11 -2.88 0.00 0.00 179.24 174.39 1k8o n LEU 86 N -5.54 0.00 0.00 2.28 7.94 -1.11 -5.17 117.00 115.40 1k8o n LEU 86 Ca 0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1k8o n LEU 86 Cb 0.51 0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.57 1k8o n LEU 86 CO -0.06 0.11 0.00 -1.84 -1.11 0.00 0.00 177.39 174.49