#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 1.24 2.90 3.03 0.00 -1.26 -5.11 105.19 105.99 1k8o n GLY 2 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.07 0.10 0.01 1.61 -0.21 -1.26 -5.16 119.66 114.68 1k8o s GLN 3 Ca 0.00 -0.14 -0.01 0.00 0.02 0.00 0.00 55.36 55.23 1k8o s GLN 3 Cb 0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 33.01 33.99 1k8o s GLN 3 CO 0.00 -0.00 0.00 0.14 -2.12 0.00 0.00 175.29 173.31 1k8o s VAL 4 N -0.30 0.07 -0.20 1.09 -7.23 -1.26 -4.66 120.40 107.90 1k8o s VAL 4 Ca -0.03 -0.55 -0.12 0.00 -1.81 0.00 0.00 61.98 59.47 1k8o s VAL 4 Cb -0.02 -0.19 -0.05 0.00 0.56 0.00 0.00 36.38 36.68 1k8o s VAL 4 CO -0.00 -0.30 0.24 0.68 -0.31 0.00 0.00 175.10 175.41 1k8o s VAL 5 N -0.89 5.32 -0.14 1.32 -7.23 0.44 -4.79 120.40 114.43 1k8o s VAL 5 Ca -0.10 0.39 -0.10 0.00 -1.81 0.00 0.00 61.98 60.36 1k8o s VAL 5 Cb -0.06 -3.58 -0.05 0.00 0.56 0.00 0.00 36.38 33.26 1k8o s VAL 5 CO -0.00 0.36 0.18 -1.10 -0.31 0.00 0.00 175.10 174.23 1k8o s GLN 6 N 0.79 3.86 -0.17 4.82 -0.21 -1.26 -0.29 119.66 127.19 1k8o s GLN 6 Ca 0.12 -0.08 -0.09 0.00 0.02 0.00 0.00 55.36 55.33 1k8o s GLN 6 Cb -0.13 -3.31 -0.05 0.00 1.00 0.00 0.00 33.01 30.53 1k8o s GLN 6 CO 0.03 0.53 0.12 0.12 -2.12 0.00 0.00 175.29 173.97 1k8o s PHE 7 N -0.34 3.43 0.04 0.91 5.36 0.54 -4.96 117.98 122.96 1k8o s PHE 7 Ca 0.14 0.34 0.07 0.00 -0.96 0.00 0.00 56.93 56.51 1k8o s PHE 7 Cb -0.12 -2.08 -0.02 0.00 -0.34 0.00 0.00 43.02 40.45 1k8o s PHE 7 CO 0.03 0.39 -0.19 -1.59 -1.46 0.00 0.00 175.22 172.39 1k8o s LYS 8 N -0.02 1.30 -0.33 10.12 0.00 -1.26 0.14 119.74 129.68 1k8o s LYS 8 Ca 0.09 -0.90 -0.39 0.00 0.00 0.00 0.00 55.97 54.78 1k8o s LYS 8 Cb -0.11 -1.39 -0.14 0.00 0.00 0.00 0.00 37.83 36.18 1k8o s LYS 8 CO -0.00 0.35 1.97 -0.11 0.00 0.00 0.00 175.35 177.56 1k8o n LEU 9 N 1.89 2.10 -3.69 2.77 -0.00 -1.26 -4.91 117.00 113.90 1k8o n LEU 9 Ca -0.17 0.77 -0.30 0.00 -0.00 0.00 0.00 56.01 56.31 1k8o n LEU 9 Cb 0.54 -1.16 -0.14 0.00 -0.00 0.00 0.00 43.42 42.66 1k8o n LEU 9 CO 0.23 -0.58 -0.30 -0.44 -0.00 0.00 0.00 177.39 176.30 1k8o s SER 10 N 5.33 3.76 0.00 1.96 0.01 -1.26 -3.71 113.70 119.79 1k8o s SER 10 Ca 1.05 -2.01 0.00 0.00 1.31 0.00 0.00 55.95 56.31 1k8o s SER 10 Cb -1.04 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 64.35 1k8o s SER 10 CO 0.59 -0.36 0.00 0.47 0.41 0.00 0.00 173.24 174.36 1k8o n ASP 11 N 4.35 0.00 -4.83 2.44 9.92 -1.26 -5.00 116.55 122.16 1k8o n ASP 11 Ca 0.03 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 54.02 1k8o n ASP 11 Cb 0.39 0.10 -0.04 0.00 -0.64 0.00 0.00 41.12 40.93 1k8o n ASP 11 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1k8o s ILE 12 N -1.20 1.80 0.78 0.53 -0.00 -1.26 -5.00 121.20 116.85 1k8o s ILE 12 Ca 0.00 -1.63 -0.11 0.00 -0.00 0.00 0.00 60.65 58.91 1k8o s ILE 12 Cb 0.00 -2.43 0.06 0.00 -0.00 0.00 0.00 42.46 40.09 1k8o s ILE 12 CO 0.00 0.00 1.09 -0.83 -0.00 0.00 0.00 174.94 175.20 1k8o s GLY 13 N -4.10 1.63 -1.31 6.27 0.00 -1.26 -4.84 107.32 103.71 1k8o s GLY 13 Ca 0.32 -0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.69 1k8o s GLY 13 CO 0.19 0.22 1.78 1.18 0.00 0.00 0.00 173.10 176.47 1k8o n GLU 14 N -3.38 3.21 0.00 2.90 4.71 -1.26 -3.46 120.64 123.35 1k8o n GLU 14 Ca 0.07 -3.30 0.00 0.00 -0.01 0.00 0.00 57.16 53.93 1k8o n GLU 14 Cb 0.56 -3.31 0.00 0.00 -1.01 0.00 0.00 31.44 27.68 1k8o n GLU 14 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1k8o n GLY 15 N 4.64 0.67 0.00 0.62 0.00 -1.26 -5.13 105.19 104.73 1k8o n GLY 15 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.47 -0.61 -6.64 -1.22 -5.01 119.36 104.40 1k8o n ILE 16 Ca 0.00 0.00 -0.37 0.00 -1.77 0.00 0.00 62.75 60.61 1k8o n ILE 16 Cb 0.00 -1.84 0.07 0.00 -1.44 0.00 0.00 39.64 36.43 1k8o n ILE 16 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64 1k8o n ARG 17 N -0.92 0.64 -3.04 6.28 0.63 -1.26 -4.91 116.66 114.09 1k8o n ARG 17 Ca 0.00 0.27 -0.18 0.00 -0.92 0.00 0.00 57.85 57.01 1k8o n ARG 17 Cb 0.00 -2.13 0.04 0.00 0.45 0.00 0.00 32.46 30.81 1k8o n ARG 17 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1k8o s GLU 18 N -2.97 2.56 0.14 -0.14 2.02 -1.26 -4.73 118.70 114.31 1k8o s GLU 18 Ca 0.74 -1.45 0.08 0.00 0.02 0.00 0.00 54.97 54.36 1k8o s GLU 18 Cb -0.38 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1k8o s GLU 18 CO 0.49 -0.57 -0.19 0.54 0.02 0.00 0.00 175.26 175.55 1k8o s VAL 19 N -2.51 1.74 0.28 2.63 0.11 -1.12 -4.95 120.40 116.58 1k8o s VAL 19 Ca 0.58 -1.75 0.05 0.00 -2.93 0.00 0.00 61.98 57.92 1k8o s VAL 19 Cb -0.08 -1.71 -0.03 0.00 -1.53 0.00 0.00 36.38 33.04 1k8o s VAL 19 CO 0.36 -0.22 0.42 -0.89 -3.33 0.00 0.00 175.10 171.44 1k8o s THR 20 N -1.69 4.95 -0.35 5.04 2.01 -1.26 0.20 115.64 124.53 1k8o s THR 20 Ca 0.11 -0.90 -0.26 0.00 0.31 0.00 0.00 61.69 60.96 1k8o s THR 20 Cb -0.07 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.69 1k8o s THR 20 CO 0.05 -0.33 0.91 -0.69 -0.69 0.00 0.00 174.62 173.87 1k8o s VAL 21 N -2.09 4.63 0.09 3.82 1.01 -1.09 -3.88 120.40 122.89 1k8o s VAL 21 Ca 0.38 1.23 0.03 0.00 0.00 0.00 0.00 61.98 63.61 1k8o s VAL 21 Cb -0.09 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.75 1k8o s VAL 21 CO 0.31 -0.47 1.17 0.50 0.00 0.00 0.00 175.10 176.61 1k8o h LYS 22 N 8.37 0.11 -3.41 2.72 1.63 0.16 -3.36 116.57 122.78 1k8o h LYS 22 Ca -0.23 -0.19 -0.28 0.00 -0.85 0.00 0.00 60.65 59.09 1k8o h LYS 22 Cb 1.08 0.07 -0.33 0.00 -0.60 0.00 0.00 32.23 32.45 1k8o h LYS 22 CO 0.96 1.06 -0.68 -1.21 -3.45 0.00 0.00 179.45 176.13 1k8o s GLU 23 N -2.68 0.01 -0.18 1.90 2.02 -0.60 -5.00 118.70 114.18 1k8o s GLU 23 Ca -0.02 0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.25 1k8o s GLU 23 Cb 0.09 -0.23 0.04 0.00 0.10 0.00 0.00 34.13 34.12 1k8o s GLU 23 CO 0.84 -0.18 -0.11 -1.58 0.02 0.00 0.00 175.26 174.26 1k8o s TRP 24 N 1.17 2.24 -0.28 1.61 0.23 -1.26 -0.72 118.94 121.93 1k8o s TRP 24 Ca -0.08 -1.40 0.09 0.00 -2.03 0.00 0.00 56.10 52.67 1k8o s TRP 24 Cb -0.12 -1.58 0.47 0.00 0.03 0.00 0.00 33.47 32.26 1k8o s TRP 24 CO -0.04 -0.70 1.18 0.66 0.96 0.00 0.00 176.95 179.01 1k8o n TYR 25 N 4.74 2.46 -3.51 -1.98 4.01 -1.10 -5.04 117.16 116.75 1k8o n TYR 25 Ca -0.15 -2.18 -0.12 0.00 -0.16 0.00 0.00 57.90 55.29 1k8o n TYR 25 Cb 0.48 -0.32 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 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 -4.44 0.03 0.05 -0.72 -7.23 -1.26 -4.77 120.40 102.06 1k8o s VAL 26 Ca 0.47 -0.21 -0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1k8o s VAL 26 Cb 0.40 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 1k8o s VAL 26 CO 0.03 -0.12 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.12 1k8o s LYS 27 N -3.51 0.58 0.20 4.82 1.02 -1.26 -5.05 119.74 116.54 1k8o s LYS 27 Ca 0.00 -1.09 -0.32 0.00 0.02 0.00 0.00 55.97 54.58 1k8o s LYS 27 Cb -0.00 0.09 -0.14 0.00 -0.52 0.00 0.00 37.83 37.26 1k8o s LYS 27 CO -0.10 -0.07 1.38 0.39 -0.92 0.00 0.00 175.35 176.02 1k8o n GLU 28 N 0.46 1.82 -0.90 1.68 4.71 -1.26 0.12 120.64 127.26 1k8o n GLU 28 Ca -0.16 0.65 0.00 0.00 -0.01 0.00 0.00 57.16 57.64 1k8o n GLU 28 Cb 0.59 -2.29 0.00 0.00 -1.01 0.00 0.00 31.44 28.73 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 2.35 0.54 3.92 0.62 0.00 0.48 -4.88 105.19 108.23 1k8o n GLY 29 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.42 6.39 0.15 1.61 -1.08 0.12 -4.78 116.67 116.66 1k8o s ASP 30 Ca 0.00 0.46 0.01 0.00 -0.52 0.00 0.00 52.55 52.49 1k8o s ASP 30 Cb 0.00 -2.03 -0.04 0.00 -1.46 0.00 0.00 42.92 39.39 1k8o s ASP 30 CO 0.00 -0.09 0.31 -0.89 0.52 0.00 0.00 175.17 175.02 1k8o s THR 31 N -1.95 5.29 0.39 1.71 2.01 -1.26 0.15 115.64 121.98 1k8o s THR 31 Ca 0.39 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.97 1k8o s THR 31 Cb -0.11 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1k8o s THR 31 CO 0.30 -0.07 0.17 0.68 -0.69 0.00 0.00 174.62 175.00 1k8o s VAL 32 N -1.74 2.54 0.08 3.82 -7.23 0.46 -4.88 120.40 113.44 1k8o s VAL 32 Ca 0.36 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1k8o s VAL 32 Cb -0.11 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 1k8o s VAL 32 CO 0.28 -0.06 -0.07 -0.44 -0.31 0.00 0.00 175.10 174.50 1k8o s SER 33 N -3.89 1.07 0.61 4.85 0.01 -1.22 -2.07 113.70 113.05 1k8o s SER 33 Ca 0.40 -0.84 0.29 0.00 1.31 0.00 0.00 55.95 57.11 1k8o s SER 33 Cb 0.01 0.07 1.55 0.00 0.21 0.00 0.00 66.02 67.86 1k8o s SER 33 CO 0.23 -0.36 1.94 0.06 0.41 0.00 0.00 173.24 175.52 1k8o h GLN 34 N 3.53 0.00 0.00 12.44 -0.00 -1.65 0.19 115.11 129.62 1k8o h GLN 34 Ca -0.36 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.15 1k8o h GLN 34 Cb 1.18 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.63 1k8o h GLN 34 CO 0.56 0.00 -1.88 0.34 -0.00 0.00 0.00 178.83 177.85 1k8o n PHE 35 N -3.55 0.32 -3.20 0.06 7.35 -1.26 -3.43 117.46 113.75 1k8o n PHE 35 Ca 0.05 0.10 -0.44 0.00 -0.76 0.00 0.00 57.45 56.40 1k8o n PHE 35 Cb 0.54 -0.82 -0.06 0.00 0.35 0.00 0.00 39.48 39.49 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 -5.16 6.19 0.66 -2.13 1.01 0.66 -5.02 116.67 112.88 1k8o s ASP 36 Ca -0.07 -1.29 -0.15 0.00 0.71 0.00 0.00 52.55 51.75 1k8o s ASP 36 Cb 0.10 -2.27 -0.00 0.00 1.01 0.00 0.00 42.92 41.76 1k8o s ASP 36 CO 0.85 -0.92 1.12 -0.94 0.21 0.00 0.00 175.17 175.48 1k8o s SER 37 N 3.13 5.09 0.00 0.27 1.04 -1.26 -3.43 113.70 118.54 1k8o s SER 37 Ca 0.10 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.56 1k8o s SER 37 Cb -0.23 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1k8o s SER 37 CO 0.08 -1.64 0.00 -0.38 0.98 0.00 0.00 173.24 172.28 1k8o n ILE 38 N -2.38 0.00 -4.35 -1.02 5.41 -0.32 -3.91 119.36 112.79 1k8o n ILE 38 Ca 0.11 0.22 -0.29 0.00 1.00 0.00 0.00 62.75 63.78 1k8o n ILE 38 Cb 0.52 -0.65 -0.12 0.00 -0.71 0.00 0.00 39.64 38.68 1k8o n ILE 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k8o s GLU 40 N -2.10 0.11 0.04 0.00 2.02 0.10 -0.78 118.70 118.09 1k8o s GLU 40 Ca 0.16 0.22 0.06 0.00 0.02 0.00 0.00 54.97 55.43 1k8o s GLU 40 Cb -0.10 -0.48 -0.02 0.00 0.10 0.00 0.00 34.13 33.62 1k8o s GLU 40 CO 0.08 -0.23 -0.17 0.14 0.02 0.00 0.00 175.26 175.10 1k8o s VAL 41 N 1.55 1.40 -0.09 2.63 -7.23 -0.77 0.17 120.40 118.06 1k8o s VAL 41 Ca -0.03 -1.08 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1k8o s VAL 41 Cb -0.13 -1.23 0.02 0.00 0.56 0.00 0.00 36.38 35.60 1k8o s VAL 41 CO -0.03 0.12 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.67 1k8o s GLN 42 N -1.12 1.67 0.12 4.82 -0.21 -1.25 -1.66 119.66 122.02 1k8o s GLN 42 Ca 0.05 -0.36 0.09 0.00 0.02 0.00 0.00 55.36 55.15 1k8o s GLN 42 Cb -0.08 -1.50 -0.04 0.00 1.00 0.00 0.00 33.01 32.39 1k8o s GLN 42 CO 0.01 -0.09 -0.18 0.45 -2.12 0.00 0.00 175.29 173.36 1k8o s SER 43 N 1.06 3.86 0.49 5.90 0.15 0.12 -4.76 113.70 120.53 1k8o s SER 43 Ca -0.07 -0.58 0.20 0.00 0.70 0.00 0.00 55.95 56.20 1k8o s SER 43 Cb -0.15 -0.53 1.25 0.00 -1.71 0.00 0.00 66.02 64.89 1k8o s SER 43 CO -0.01 0.17 2.01 -0.78 1.20 0.00 0.00 173.24 175.83 1k8o h ASP 44 N 3.68 0.13 0.13 5.45 1.82 -2.01 -2.41 116.42 123.21 1k8o h ASP 44 Ca -0.50 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 55.87 1k8o h ASP 44 Cb 1.17 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.16 1k8o h ASP 44 CO 0.46 0.08 -1.39 0.07 -1.61 0.00 0.00 179.24 176.84 1k8o h LYS 45 N 0.14 0.27 -3.35 0.28 2.10 -2.01 -3.48 116.57 110.53 1k8o h LYS 45 Ca 0.22 -0.47 -0.10 0.00 -2.00 0.00 0.00 60.65 58.31 1k8o h LYS 45 Cb 0.70 0.17 -0.17 0.00 -0.90 0.00 0.00 32.23 32.03 1k8o h LYS 45 CO -0.03 1.22 -0.28 0.00 -2.00 0.00 0.00 179.45 178.36 1k8o s ALA 46 N -2.49 -0.62 -0.10 0.07 0.00 -0.91 -5.16 121.76 112.56 1k8o s ALA 46 Ca -0.19 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.76 1k8o s ALA 46 Cb 0.04 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.47 1k8o s ALA 46 CO 0.79 -0.40 -0.19 -1.54 0.00 0.00 0.00 175.76 174.42 1k8o s SER 47 N -2.04 2.67 0.02 0.00 1.04 -1.26 0.14 113.70 114.28 1k8o s SER 47 Ca -0.05 -0.48 0.05 0.00 0.48 0.00 0.00 55.95 55.94 1k8o s SER 47 Cb -0.01 -1.22 -0.02 0.00 0.10 0.00 0.00 66.02 64.87 1k8o s SER 47 CO -0.03 0.09 -0.14 -0.69 0.98 0.00 0.00 173.24 173.45 1k8o s VAL 48 N 0.63 1.11 -0.07 5.02 1.01 -0.67 -4.98 120.40 122.46 1k8o s VAL 48 Ca -0.13 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.06 1k8o s VAL 48 Cb -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1k8o s VAL 48 CO 0.04 0.14 -0.18 0.42 0.00 0.00 0.00 175.10 175.51 1k8o s THR 49 N -0.62 1.58 -0.45 3.92 -4.23 -1.26 -1.85 115.64 112.73 1k8o s THR 49 Ca 0.03 -0.76 -0.16 0.00 -1.18 0.00 0.00 61.69 59.62 1k8o s THR 49 Cb -0.07 -1.38 0.05 0.00 1.34 0.00 0.00 72.50 72.44 1k8o s THR 49 CO 0.01 0.45 0.41 -0.63 -0.54 0.00 0.00 174.62 174.32 1k8o s ILE 50 N 0.32 5.17 0.57 2.99 -1.09 0.04 -5.02 121.20 124.19 1k8o s ILE 50 Ca -0.12 -0.78 0.07 0.00 -2.23 0.00 0.00 60.65 57.59 1k8o s ILE 50 Cb -0.15 -4.08 0.10 0.00 -1.58 0.00 0.00 42.46 36.74 1k8o s ILE 50 CO 0.05 -0.52 0.79 1.07 -1.23 0.00 0.00 174.94 175.10 1k8o n THR 51 N 5.28 0.00 -0.01 2.92 5.66 -1.26 -1.18 114.28 125.69 1k8o n THR 51 Ca -0.11 -1.72 -0.02 0.00 -3.05 0.00 0.00 64.05 59.16 1k8o n THR 51 Cb 0.45 -0.64 -0.01 0.00 -1.55 0.00 0.00 70.33 68.58 1k8o n THR 51 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1k8o n SER 52 N -2.51 3.82 -0.20 1.09 7.64 -1.26 -4.71 113.62 117.50 1k8o n SER 52 Ca 0.15 -0.01 -0.03 0.00 1.01 0.00 0.00 58.87 59.99 1k8o n SER 52 Cb 0.56 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 1k8o n SER 52 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1k8o n ARG 53 N -2.56 -1.25 -3.75 1.43 -4.01 -1.22 -4.88 116.66 100.42 1k8o n ARG 53 Ca -0.04 0.46 -0.01 0.00 -1.04 0.00 0.00 57.85 57.21 1k8o n ARG 53 Cb 0.55 -4.46 -0.00 0.00 -3.04 0.00 0.00 32.46 25.50 1k8o n ARG 53 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 1k8o s TYR 54 N -1.56 -0.05 -0.23 2.89 2.02 -1.26 -4.70 117.35 114.45 1k8o s TYR 54 Ca 0.00 -0.19 -0.13 0.00 -0.37 0.00 0.00 57.07 56.38 1k8o s TYR 54 Cb 0.00 0.61 -0.04 0.00 -0.40 0.00 0.00 41.96 42.13 1k8o s TYR 54 CO 0.00 -0.59 0.29 -0.51 -1.57 0.00 0.00 175.55 173.16 1k8o s ASP 55 N -3.12 6.26 0.19 2.29 1.11 -1.26 -1.85 116.67 120.29 1k8o s ASP 55 Ca 0.16 0.29 0.03 0.00 0.18 0.00 0.00 52.55 53.21 1k8o s ASP 55 Cb 0.01 -2.17 -0.05 0.00 1.07 0.00 0.00 42.92 41.78 1k8o s ASP 55 CO 0.00 -0.04 -0.01 -0.83 1.18 0.00 0.00 175.17 175.47 1k8o s GLY 56 N 1.20 1.33 -0.25 0.21 0.00 -0.88 -4.77 107.32 104.16 1k8o s GLY 56 Ca 0.13 -1.65 -0.08 0.00 0.00 0.00 0.00 44.72 43.12 1k8o s GLY 56 CO 0.07 -1.59 0.09 0.14 0.00 0.00 0.00 173.10 171.82 1k8o s VAL 57 N -3.54 4.52 -0.21 1.40 1.01 -0.92 0.17 120.40 122.85 1k8o s VAL 57 Ca 0.25 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1k8o s VAL 57 Cb 0.06 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1k8o s VAL 57 CO 0.05 0.33 0.16 -0.63 0.00 0.00 0.00 175.10 175.01 1k8o s ILE 58 N 1.60 5.38 -0.24 2.22 1.01 0.39 -1.14 121.20 130.42 1k8o s ILE 58 Ca 0.06 0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.99 1k8o s ILE 58 Cb -0.15 -3.50 -0.19 0.00 0.01 0.00 0.00 42.46 38.63 1k8o s ILE 58 CO 0.05 0.40 -0.15 1.17 0.00 0.00 0.00 174.94 176.41 1k8o n LYS 59 N 3.80 0.66 -3.86 2.79 4.81 -1.05 0.18 118.16 125.49 1k8o n LYS 59 Ca -0.15 0.13 -0.12 0.00 -0.87 0.00 0.00 58.31 57.30 1k8o n LYS 59 Cb 0.52 -1.53 -0.12 0.00 0.02 0.00 0.00 35.03 33.91 1k8o n LYS 59 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1k8o s LYS 60 N -2.52 0.20 -0.05 1.64 3.01 -1.26 -1.43 119.74 119.32 1k8o s LYS 60 Ca -0.30 -0.03 -0.01 0.00 -1.01 0.00 0.00 55.97 54.61 1k8o s LYS 60 Cb 0.08 0.08 0.03 0.00 -1.01 0.00 0.00 37.83 37.02 1k8o s LYS 60 CO 0.65 -0.03 0.03 -0.51 0.51 0.00 0.00 175.35 175.99 1k8o s LEU 61 N -0.35 0.43 -0.23 3.17 1.43 -1.26 -4.05 118.68 117.82 1k8o s LEU 61 Ca -0.04 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1k8o s LEU 61 Cb -0.03 -0.26 -0.13 0.00 0.03 0.00 0.00 46.19 45.81 1k8o s LEU 61 CO 0.00 -0.21 -0.25 0.00 0.23 0.00 0.00 176.35 176.12 1k8o n TYR 62 N 5.10 0.00 -3.00 0.29 4.19 -1.26 -4.87 117.16 117.61 1k8o n TYR 62 Ca -0.07 0.00 -0.40 0.00 3.31 0.00 0.00 57.90 60.74 1k8o n TYR 62 Cb 0.50 -0.87 -0.05 0.00 0.49 0.00 0.00 39.34 39.41 1k8o n TYR 62 CO 0.00 0.00 0.00 0.71 0.91 0.00 0.00 176.86 178.48 1k8o s TYR 63 N -2.45 3.71 0.07 2.98 2.02 -1.26 -5.03 117.35 117.39 1k8o s TYR 63 Ca -0.32 1.43 0.01 0.00 -0.37 0.00 0.00 57.07 57.82 1k8o s TYR 63 Cb 0.10 -2.81 0.01 0.00 -0.40 0.00 0.00 41.96 38.86 1k8o s TYR 63 CO 0.48 0.25 0.06 0.09 -1.57 0.00 0.00 175.55 174.86 1k8o n ASN 64 N 2.95 0.92 0.25 2.29 4.13 -1.26 -4.94 115.26 119.60 1k8o n ASN 64 Ca -0.02 -1.21 0.17 0.00 1.68 0.00 0.00 54.58 55.19 1k8o n ASN 64 Cb 0.50 -0.02 0.85 0.00 -1.54 0.00 0.00 39.78 39.58 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 3.38 -1.95 -2.64 115.31 117.51 1k8o h LEU 65 Ca -0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 1k8o h LEU 65 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1k8o h LEU 65 CO 0.06 0.00 -1.90 -0.67 0.09 0.00 0.00 178.44 176.02 1k8o n ASP 66 N -2.73 1.35 -4.81 -0.43 2.03 -1.26 -4.07 116.55 106.63 1k8o n ASP 66 Ca -0.01 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.97 1k8o n ASP 66 Cb 0.12 1.22 -0.01 0.00 -0.72 0.00 0.00 41.12 41.74 1k8o n ASP 66 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1k8o s ASP 67 N -4.41 6.05 -0.06 1.67 1.11 -0.99 -4.83 116.67 115.20 1k8o s ASP 67 Ca -0.07 1.77 -0.03 0.00 0.18 0.00 0.00 52.55 54.40 1k8o s ASP 67 Cb 0.07 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.49 1k8o s ASP 67 CO 0.63 -0.98 0.08 -0.63 1.18 0.00 0.00 175.17 175.45 1k8o s ILE 68 N -2.44 4.89 0.11 0.77 -1.09 -1.26 -2.66 121.20 119.53 1k8o s ILE 68 Ca 0.63 -0.16 0.06 0.00 -2.23 0.00 0.00 60.65 58.95 1k8o s ILE 68 Cb -0.15 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.53 1k8o s ILE 68 CO 0.34 0.50 -0.05 0.00 -1.23 0.00 0.00 174.94 174.50 1k8o s ALA 69 N -1.07 3.13 -0.05 9.38 0.00 0.13 -4.94 121.76 128.34 1k8o s ALA 69 Ca 0.18 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 50.99 1k8o s ALA 69 Cb -0.12 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 1k8o s ALA 69 CO 0.08 0.63 -0.25 0.71 0.00 0.00 0.00 175.76 176.94 1k8o s TYR 70 N -1.35 2.41 0.30 0.00 2.02 -1.26 -2.80 117.35 116.67 1k8o s TYR 70 Ca 0.24 -0.62 -0.29 0.00 -0.37 0.00 0.00 57.07 56.03 1k8o s TYR 70 Cb -0.11 -1.57 -0.10 0.00 -0.40 0.00 0.00 41.96 39.78 1k8o s TYR 70 CO 0.16 -0.15 1.21 0.54 -1.57 0.00 0.00 175.55 175.74 1k8o s VAL 71 N -0.31 3.08 0.00 0.71 0.11 -1.24 -3.88 120.40 118.86 1k8o s VAL 71 Ca 0.01 1.08 0.00 0.00 -2.93 0.00 0.00 61.98 60.14 1k8o s VAL 71 Cb -0.13 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 1k8o s VAL 71 CO 0.02 0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.66 1k8o n GLY 72 N 1.04 1.50 3.26 6.54 0.00 -1.26 -4.84 105.19 111.42 1k8o n GLY 72 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1k8o n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k8o s LYS 73 N 0.00 0.39 0.62 1.61 -0.14 -1.25 -5.12 119.74 115.85 1k8o s LYS 73 Ca 0.00 0.70 -0.16 0.00 -1.36 0.00 0.00 55.97 55.15 1k8o s LYS 73 Cb 0.00 0.03 -0.02 0.00 -1.68 0.00 0.00 37.83 36.16 1k8o s LYS 73 CO 0.00 -0.13 1.11 -2.14 -0.76 0.00 0.00 175.35 173.42 1k8o s PRO 74 N 1.07 3.01 -0.00 -1.68 0.02 -1.26 -4.06 135.00 132.10 1k8o s PRO 74 Ca -0.07 1.41 0.01 0.00 0.02 0.00 0.00 61.00 62.37 1k8o s PRO 74 Cb -0.07 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 1k8o s PRO 74 CO -0.09 -1.08 0.02 1.47 -0.33 0.00 0.00 177.00 176.98 1k8o n LEU 75 N -2.09 0.01 -3.90 -5.54 -0.00 0.12 -4.90 117.00 100.70 1k8o n LEU 75 Ca 0.10 -0.11 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1k8o n LEU 75 Cb 0.52 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.82 1k8o n LEU 75 CO 0.46 0.00 -0.30 0.54 -0.00 0.00 0.00 177.39 178.09 1k8o s VAL 76 N -1.83 0.06 -0.17 1.47 0.11 -1.11 -4.10 120.40 114.82 1k8o s VAL 76 Ca -0.00 -0.46 -0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1k8o s VAL 76 Cb 0.00 -0.21 -0.02 0.00 -1.53 0.00 0.00 36.38 34.63 1k8o s VAL 76 CO 0.03 -0.25 -0.08 -1.81 -3.33 0.00 0.00 175.10 169.66 1k8o s ASP 77 N -0.78 4.31 0.05 3.54 1.11 -1.26 -0.34 116.67 123.30 1k8o s ASP 77 Ca -0.09 -0.30 0.03 0.00 0.18 0.00 0.00 52.55 52.37 1k8o s ASP 77 Cb -0.05 -1.70 -0.02 0.00 1.07 0.00 0.00 42.92 42.21 1k8o s ASP 77 CO -0.00 0.10 -0.09 -0.63 1.18 0.00 0.00 175.17 175.73 1k8o s ILE 78 N 0.77 0.65 -0.36 0.77 1.09 0.60 -2.51 121.20 122.20 1k8o s ILE 78 Ca -0.03 -1.08 -0.14 0.00 -1.10 0.00 0.00 60.65 58.30 1k8o s ILE 78 Cb -0.15 -0.69 -0.01 0.00 -1.06 0.00 0.00 42.46 40.56 1k8o s ILE 78 CO 0.02 -0.32 0.29 -1.61 -0.10 0.00 0.00 174.94 173.22 1k8o s GLU 79 N -1.53 3.40 0.04 2.79 2.02 -0.29 0.17 118.70 125.29 1k8o s GLU 79 Ca -0.08 -0.66 -0.03 0.00 0.02 0.00 0.00 54.97 54.23 1k8o s GLU 79 Cb -0.10 -3.85 -0.02 0.00 0.10 0.00 0.00 34.13 30.27 1k8o s GLU 79 CO 0.01 -0.54 0.03 0.95 0.02 0.00 0.00 175.26 175.72 1k8o s THR 80 N 1.82 0.16 0.75 3.63 -4.23 -1.26 -2.16 115.64 114.35 1k8o s THR 80 Ca 0.08 -1.30 -0.15 0.00 -1.18 0.00 0.00 61.69 59.14 1k8o s THR 80 Cb -0.17 -0.97 0.03 0.00 1.34 0.00 0.00 72.50 72.73 1k8o s THR 80 CO 0.11 -0.72 1.08 1.21 -0.54 0.00 0.00 174.62 175.76 1k8o n GLU 81 N 0.72 0.43 -1.32 3.99 0.00 -1.26 -4.73 120.64 118.46 1k8o n GLU 81 Ca -0.18 0.21 -0.57 0.00 0.00 0.00 0.00 57.16 56.62 1k8o n GLU 81 Cb 0.59 -2.33 -0.10 0.00 0.00 0.00 0.00 31.44 29.59 1k8o n GLU 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1k8o n ALA 82 N -2.77 0.48 -2.84 4.31 0.00 -1.26 -4.92 120.51 113.51 1k8o n ALA 82 Ca 0.13 0.12 -0.28 0.00 0.00 0.00 0.00 53.44 53.41 1k8o n ALA 82 Cb 0.50 -2.23 -0.16 0.00 0.00 0.00 0.00 19.45 17.56 1k8o n ALA 82 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1k8o s LEU 83 N 6.37 1.98 0.62 0.00 2.96 -1.26 -5.01 118.68 124.33 1k8o s LEU 83 Ca 1.16 -0.42 0.36 0.00 -0.22 0.00 0.00 54.13 55.02 1k8o s LEU 83 Cb -1.29 -1.13 2.04 0.00 0.50 0.00 0.00 46.19 46.30 1k8o s LEU 83 CO 0.61 0.19 2.28 0.11 -1.32 0.00 0.00 176.35 178.22 1k8o h LYS 84 N 6.18 0.00 -0.94 1.98 1.57 -1.92 -2.81 116.57 120.63 1k8o h LYS 84 Ca -0.32 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 58.71 1k8o h LYS 84 Cb 1.18 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.31 1k8o h LYS 84 CO 0.47 0.01 0.06 0.22 -0.57 0.00 0.00 179.45 179.65 1k8o h ASP 85 N 0.00 -0.39 0.00 0.86 3.58 -1.98 -2.08 116.42 116.41 1k8o h ASP 85 Ca -0.00 0.26 -0.23 0.00 0.42 0.00 0.00 57.03 57.48 1k8o h ASP 85 Cb 0.06 0.44 -0.04 0.00 1.72 0.00 0.00 39.33 41.50 1k8o h ASP 85 CO 0.00 -0.31 -2.04 -0.11 -2.88 0.00 0.00 179.24 173.91 1k8o n LEU 86 N -5.43 0.00 0.00 2.28 7.94 -1.14 -5.19 117.00 115.45 1k8o n LEU 86 Ca 0.22 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.12 1k8o n LEU 86 Cb 0.72 0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.98 1k8o n LEU 86 CO -0.03 0.31 0.00 -1.84 -1.11 0.00 0.00 177.39 174.72