#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 1.86 2.93 -5.12 0.00 -1.26 -5.13 105.19 98.47 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 -0.01 0.21 0.01 1.61 -0.21 -1.26 -5.16 119.66 114.85 1k8o s GLN 3 Ca 0.00 -0.23 -0.01 0.00 0.02 0.00 0.00 55.36 55.14 1k8o s GLN 3 Cb 0.00 -0.10 -0.01 0.00 1.00 0.00 0.00 33.01 33.90 1k8o s GLN 3 CO 0.00 0.02 -0.00 0.14 -2.12 0.00 0.00 175.29 173.33 1k8o s VAL 4 N -0.43 0.06 -0.27 1.09 -7.23 -1.26 -4.65 120.40 107.71 1k8o s VAL 4 Ca -0.03 -0.50 -0.13 0.00 -1.81 0.00 0.00 61.98 59.51 1k8o s VAL 4 Cb -0.03 -0.17 -0.04 0.00 0.56 0.00 0.00 36.38 36.70 1k8o s VAL 4 CO -0.00 -0.27 0.28 0.68 -0.31 0.00 0.00 175.10 175.48 1k8o s VAL 5 N -0.81 5.25 -0.08 1.32 -7.23 0.49 -4.78 120.40 114.57 1k8o s VAL 5 Ca -0.09 0.38 -0.05 0.00 -1.81 0.00 0.00 61.98 60.41 1k8o s VAL 5 Cb -0.05 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 1k8o s VAL 5 CO -0.00 0.22 0.15 -1.10 -0.31 0.00 0.00 175.10 174.06 1k8o s GLN 6 N 1.78 3.43 -0.07 4.82 -0.21 -1.26 -1.30 119.66 126.85 1k8o s GLN 6 Ca 0.11 -0.21 -0.04 0.00 0.02 0.00 0.00 55.36 55.24 1k8o s GLN 6 Cb -0.16 -3.14 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 1k8o s GLN 6 CO 0.10 0.74 0.10 0.12 -2.12 0.00 0.00 175.29 174.23 1k8o s PHE 7 N -1.14 3.43 0.03 0.91 5.36 -0.78 -4.93 117.98 120.87 1k8o s PHE 7 Ca 0.20 0.36 0.07 0.00 -0.96 0.00 0.00 56.93 56.59 1k8o s PHE 7 Cb -0.12 -1.85 -0.02 0.00 -0.34 0.00 0.00 43.02 40.69 1k8o s PHE 7 CO 0.10 0.63 -0.19 -1.59 -1.46 0.00 0.00 175.22 172.70 1k8o s LYS 8 N -1.30 1.37 -0.37 10.12 0.00 -1.26 0.67 119.74 128.97 1k8o s LYS 8 Ca 0.18 -0.85 -0.40 0.00 0.00 0.00 0.00 55.97 54.90 1k8o s LYS 8 Cb -0.12 -1.43 -0.15 0.00 0.00 0.00 0.00 37.83 36.12 1k8o s LYS 8 CO 0.08 0.37 1.98 -0.11 0.00 0.00 0.00 175.35 177.67 1k8o n LEU 9 N 2.05 1.84 -4.88 2.77 -0.00 -1.26 -4.93 117.00 112.59 1k8o n LEU 9 Ca -0.17 0.77 -0.24 0.00 -0.00 0.00 0.00 56.01 56.37 1k8o n LEU 9 Cb 0.53 -1.11 -0.02 0.00 -0.00 0.00 0.00 43.42 42.83 1k8o n LEU 9 CO 0.23 -0.64 0.02 -0.94 -0.00 0.00 0.00 177.39 176.07 1k8o s SER 10 N 5.35 4.74 0.00 1.96 1.04 -1.26 -3.87 113.70 121.65 1k8o s SER 10 Ca 1.08 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1k8o s SER 10 Cb -1.13 0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.02 1k8o s SER 10 CO 0.62 -0.92 0.00 -0.67 0.98 0.00 0.00 173.24 173.24 1k8o n ASP 11 N -1.66 0.00 -4.72 7.02 -0.08 -1.26 -5.00 116.55 110.85 1k8o n ASP 11 Ca 0.01 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.05 1k8o n ASP 11 Cb 0.63 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.03 1k8o n ASP 11 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1k8o s ILE 12 N -1.93 3.92 0.01 5.18 1.09 -1.26 -5.11 121.20 123.11 1k8o s ILE 12 Ca 0.00 -1.57 0.06 0.00 -1.10 0.00 0.00 60.65 58.03 1k8o s ILE 12 Cb 0.00 -3.07 -0.03 0.00 -1.06 0.00 0.00 42.46 38.30 1k8o s ILE 12 CO 0.00 -0.29 -0.15 -0.83 -0.10 0.00 0.00 174.94 173.57 1k8o s GLY 13 N -3.52 1.59 -0.99 6.18 0.00 -1.26 -4.70 107.32 104.62 1k8o s GLY 13 Ca 0.31 -1.11 -0.26 0.00 0.00 0.00 0.00 44.72 43.66 1k8o s GLY 13 CO 0.22 -0.97 2.17 1.18 0.00 0.00 0.00 173.10 175.70 1k8o n GLU 14 N 1.75 0.21 0.00 2.90 1.02 -1.26 -1.53 120.64 123.73 1k8o n GLU 14 Ca -0.16 -1.44 0.00 0.00 -0.02 0.00 0.00 57.16 55.54 1k8o n GLU 14 Cb 0.52 -3.80 0.00 0.00 -0.02 0.00 0.00 31.44 28.14 1k8o n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k8o n GLY 15 N 6.28 0.45 0.00 0.62 0.00 -1.26 -5.15 105.19 106.12 1k8o n GLY 15 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.12 -0.61 -5.35 -0.58 -5.08 119.36 105.61 1k8o n ILE 16 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 1k8o n ILE 16 Cb 0.00 -1.13 0.01 0.00 -1.74 0.00 0.00 39.64 36.78 1k8o n ILE 16 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1k8o s ARG 17 N 0.99 3.28 0.50 6.28 3.52 -1.26 -4.90 118.95 127.36 1k8o s ARG 17 Ca 0.00 1.41 0.08 0.00 -0.13 0.00 0.00 55.73 57.09 1k8o s ARG 17 Cb 0.00 -2.01 0.05 0.00 -1.56 0.00 0.00 34.95 31.42 1k8o s ARG 17 CO 0.00 -0.87 0.69 -1.21 -0.81 0.00 0.00 175.30 173.10 1k8o s GLU 18 N -3.69 2.56 0.06 5.12 8.01 -1.26 -4.71 118.70 124.79 1k8o s GLU 18 Ca 0.68 -1.39 0.04 0.00 0.01 0.00 0.00 54.97 54.31 1k8o s GLU 18 Cb -0.20 -2.69 -0.03 0.00 -4.31 0.00 0.00 34.13 26.91 1k8o s GLU 18 CO 0.32 -0.58 -0.12 0.54 0.01 0.00 0.00 175.26 175.43 1k8o s VAL 19 N -2.53 0.91 0.33 2.63 0.11 -1.08 -4.94 120.40 115.83 1k8o s VAL 19 Ca 0.58 -1.26 0.07 0.00 -2.93 0.00 0.00 61.98 58.45 1k8o s VAL 19 Cb -0.08 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 1k8o s VAL 19 CO 0.36 -0.30 0.43 -0.89 -3.33 0.00 0.00 175.10 171.37 1k8o s THR 20 N -1.39 4.04 0.16 5.04 2.01 -1.26 0.29 115.64 124.53 1k8o s THR 20 Ca -0.04 -1.07 -0.30 0.00 0.31 0.00 0.00 61.69 60.59 1k8o s THR 20 Cb -0.10 -3.39 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 1k8o s THR 20 CO 0.02 -0.17 0.96 -0.69 -0.69 0.00 0.00 174.62 174.04 1k8o s VAL 21 N -2.19 4.32 -0.17 3.82 1.01 -1.11 -3.83 120.40 122.27 1k8o s VAL 21 Ca 0.44 2.07 0.13 0.00 0.00 0.00 0.00 61.98 64.62 1k8o s VAL 21 Cb -0.09 -4.32 -0.19 0.00 0.00 0.00 0.00 36.38 31.78 1k8o s VAL 21 CO 0.30 0.39 0.03 1.17 0.00 0.00 0.00 175.10 176.99 1k8o n LYS 22 N 2.28 1.24 -3.77 2.72 3.00 0.34 -4.04 118.16 119.94 1k8o n LYS 22 Ca 0.01 0.01 -0.19 0.00 -0.00 0.00 0.00 58.31 58.14 1k8o n LYS 22 Cb 0.48 -1.42 -0.17 0.00 0.00 0.00 0.00 35.03 33.92 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 -2.40 0.13 -0.20 1.64 2.02 -0.77 -4.95 118.70 114.17 1k8o s GLU 23 Ca -0.10 0.22 0.01 0.00 0.02 0.00 0.00 54.97 55.13 1k8o s GLU 23 Cb 0.05 -0.52 0.03 0.00 0.10 0.00 0.00 34.13 33.79 1k8o s GLU 23 CO 0.65 -0.24 -0.17 -1.58 0.02 0.00 0.00 175.26 173.93 1k8o s TRP 24 N 1.63 2.85 -0.22 1.61 0.52 -1.26 -1.34 118.94 122.74 1k8o s TRP 24 Ca -0.02 -1.78 0.12 0.00 0.02 0.00 0.00 56.10 54.44 1k8o s TRP 24 Cb -0.13 -1.90 0.44 0.00 -1.15 0.00 0.00 33.47 30.73 1k8o s TRP 24 CO -0.03 -0.82 1.20 0.66 0.02 0.00 0.00 176.95 177.98 1k8o n TYR 25 N 4.59 1.02 -3.55 -1.98 4.01 -1.08 -5.04 117.16 115.12 1k8o n TYR 25 Ca -0.19 -1.69 -0.13 0.00 -0.16 0.00 0.00 57.90 55.73 1k8o n TYR 25 Cb 0.48 -0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 39.20 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 -3.41 0.03 0.25 -0.72 -7.23 -1.26 -4.68 120.40 103.38 1k8o s VAL 26 Ca 0.41 -0.24 0.01 0.00 -1.81 0.00 0.00 61.98 60.35 1k8o s VAL 26 Cb 0.38 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 36.26 1k8o s VAL 26 CO -0.04 -0.13 0.09 -0.75 -0.31 0.00 0.00 175.10 173.95 1k8o s LYS 27 N -2.85 1.38 0.28 4.82 2.47 -1.26 -5.06 119.74 119.51 1k8o s LYS 27 Ca -0.03 -1.74 -0.30 0.00 -1.56 0.00 0.00 55.97 52.34 1k8o s LYS 27 Cb -0.00 -0.26 -0.11 0.00 -1.46 0.00 0.00 37.83 36.00 1k8o s LYS 27 CO -0.05 -0.28 1.57 -1.21 0.16 0.00 0.00 175.35 175.55 1k8o s GLU 28 N -4.02 4.15 0.00 4.03 2.02 -1.26 -1.27 118.70 122.34 1k8o s GLU 28 Ca 0.36 2.53 0.00 0.00 0.02 0.00 0.00 54.97 57.88 1k8o s GLU 28 Cb 0.08 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1k8o s GLU 28 CO 0.13 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.22 1k8o n GLY 29 N 2.29 0.58 3.92 -1.39 0.00 0.46 -4.88 105.19 106.18 1k8o n GLY 29 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.46 6.39 0.05 1.61 -1.08 0.85 -4.79 116.67 117.25 1k8o s ASP 30 Ca 0.00 0.44 -0.01 0.00 -0.52 0.00 0.00 52.55 52.46 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 -0.07 0.22 -0.89 0.52 0.00 0.00 175.17 174.95 1k8o s THR 31 N -1.92 5.38 0.31 1.71 2.01 -1.26 0.13 115.64 122.00 1k8o s THR 31 Ca 0.39 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 62.16 1k8o s THR 31 Cb -0.11 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1k8o s THR 31 CO 0.29 0.17 0.29 0.68 -0.69 0.00 0.00 174.62 175.36 1k8o s VAL 32 N -1.49 3.93 0.14 3.82 -7.23 0.45 -4.90 120.40 115.13 1k8o s VAL 32 Ca 0.34 -1.33 -0.01 0.00 -1.81 0.00 0.00 61.98 59.18 1k8o s VAL 32 Cb -0.13 -3.30 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 1k8o s VAL 32 CO 0.26 -0.23 0.05 -0.55 -0.31 0.00 0.00 175.10 174.32 1k8o s SER 33 N -3.97 0.43 0.60 4.85 0.15 -1.20 -2.02 113.70 112.54 1k8o s SER 33 Ca 0.39 -1.21 0.29 0.00 0.70 0.00 0.00 55.95 56.12 1k8o s SER 33 Cb -0.07 0.27 1.59 0.00 -1.71 0.00 0.00 66.02 66.11 1k8o s SER 33 CO 0.27 -0.71 2.01 1.56 1.20 0.00 0.00 173.24 177.57 1k8o h GLN 34 N 2.83 0.00 0.00 5.44 4.20 -1.89 0.49 115.11 126.18 1k8o h GLN 34 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1k8o h GLN 34 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1k8o h GLN 34 CO 0.59 0.00 -1.86 0.34 -0.67 0.00 0.00 178.83 177.24 1k8o n PHE 35 N -3.69 0.00 -3.15 2.96 7.35 -1.26 -4.43 117.46 115.24 1k8o n PHE 35 Ca 0.04 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.28 1k8o n PHE 35 Cb 0.46 -0.43 -0.04 0.00 0.35 0.00 0.00 39.48 39.82 1k8o n PHE 35 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1k8o s ASP 36 N -4.22 6.20 0.76 -2.13 2.15 0.16 -5.05 116.67 114.54 1k8o s ASP 36 Ca -0.06 -1.54 -0.11 0.00 0.43 0.00 0.00 52.55 51.27 1k8o s ASP 36 Cb 0.13 -2.29 0.05 0.00 -0.30 0.00 0.00 42.92 40.51 1k8o s ASP 36 CO 0.83 -1.06 1.09 -0.94 -0.17 0.00 0.00 175.17 174.92 1k8o s SER 37 N 3.59 4.63 0.00 -0.34 1.04 -1.26 -3.26 113.70 118.10 1k8o s SER 37 Ca 0.10 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.36 1k8o s SER 37 Cb -0.25 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1k8o s SER 37 CO 0.05 -1.95 0.00 -0.38 0.98 0.00 0.00 173.24 171.94 1k8o n ILE 38 N -3.39 0.00 -4.22 -1.02 5.41 -1.01 -4.01 119.36 111.13 1k8o n ILE 38 Ca 0.09 0.30 -0.17 0.00 1.00 0.00 0.00 62.75 63.98 1k8o n ILE 38 Cb 0.53 -1.10 -0.13 0.00 -0.71 0.00 0.00 39.64 38.23 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 -0.88 0.99 0.12 0.00 2.02 -0.45 -1.57 118.70 118.94 1k8o s GLU 40 Ca -0.02 -0.11 0.09 0.00 0.02 0.00 0.00 54.97 54.96 1k8o s GLU 40 Cb -0.06 -1.07 -0.04 0.00 0.10 0.00 0.00 34.13 33.06 1k8o s GLU 40 CO 0.00 -0.16 -0.19 0.14 0.02 0.00 0.00 175.26 175.07 1k8o s VAL 41 N 1.32 2.79 -0.03 2.63 -7.23 0.15 0.13 120.40 120.15 1k8o s VAL 41 Ca -0.04 -1.55 0.02 0.00 -1.81 0.00 0.00 61.98 58.59 1k8o s VAL 41 Cb -0.14 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.54 1k8o s VAL 41 CO -0.02 0.08 -0.07 -1.10 -0.31 0.00 0.00 175.10 173.68 1k8o s GLN 42 N -2.18 0.91 0.19 4.82 -0.21 -1.25 0.88 119.66 122.82 1k8o s GLN 42 Ca 0.18 -0.21 0.11 0.00 0.02 0.00 0.00 55.36 55.45 1k8o s GLN 42 Cb -0.10 -0.86 -0.04 0.00 1.00 0.00 0.00 33.01 33.00 1k8o s GLN 42 CO 0.10 0.02 -0.23 0.45 -2.12 0.00 0.00 175.29 173.51 1k8o s SER 43 N 0.51 3.28 0.62 5.90 0.15 -0.54 -4.72 113.70 118.91 1k8o s SER 43 Ca -0.08 -0.87 0.27 0.00 0.70 0.00 0.00 55.95 55.98 1k8o s SER 43 Cb -0.11 -0.24 1.38 0.00 -1.71 0.00 0.00 66.02 65.35 1k8o s SER 43 CO 0.01 0.09 1.79 0.44 1.20 0.00 0.00 173.24 176.77 1k8o h ASP 44 N 3.20 0.00 0.00 5.45 3.32 -2.01 -3.04 116.42 123.34 1k8o h ASP 44 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1k8o h ASP 44 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1k8o h ASP 44 CO 0.49 0.00 0.00 2.29 -1.72 0.00 0.00 179.24 180.30 1k8o n LYS 45 N -3.37 0.00 -4.36 3.56 2.85 -1.26 -5.03 118.16 110.55 1k8o n LYS 45 Ca 0.06 0.23 -0.19 0.00 -1.05 0.00 0.00 58.31 57.37 1k8o n LYS 45 Cb 0.69 -0.69 -0.10 0.00 -0.65 0.00 0.00 35.03 34.29 1k8o n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1k8o s ALA 46 N -3.38 2.10 -0.05 0.58 0.00 -1.15 -5.15 121.76 114.71 1k8o s ALA 46 Ca 0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 51.96 50.22 1k8o s ALA 46 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1k8o s ALA 46 CO 0.00 0.07 0.18 -1.12 0.00 0.00 0.00 175.76 174.89 1k8o s SER 47 N -3.34 6.40 -0.04 0.00 0.01 -1.26 -1.46 113.70 114.00 1k8o s SER 47 Ca 0.24 0.42 0.04 0.00 1.31 0.00 0.00 55.95 57.96 1k8o s SER 47 Cb -0.01 -2.04 -0.00 0.00 0.21 0.00 0.00 66.02 64.18 1k8o s SER 47 CO 0.08 0.32 -0.16 -0.69 0.41 0.00 0.00 173.24 173.19 1k8o s VAL 48 N -1.21 1.35 -0.05 3.43 1.01 0.25 -4.96 120.40 120.22 1k8o s VAL 48 Ca 0.23 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1k8o s VAL 48 Cb -0.12 -1.17 0.03 0.00 0.00 0.00 0.00 36.38 35.12 1k8o s VAL 48 CO 0.13 0.39 0.01 0.42 0.00 0.00 0.00 175.10 176.05 1k8o s THR 49 N 0.06 0.24 -0.43 3.92 -4.23 -1.26 -0.67 115.64 113.27 1k8o s THR 49 Ca -0.04 0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.48 1k8o s THR 49 Cb -0.11 -0.40 0.03 0.00 1.34 0.00 0.00 72.50 73.37 1k8o s THR 49 CO 0.02 0.21 0.33 -0.63 -0.54 0.00 0.00 174.62 174.02 1k8o s ILE 50 N 1.72 5.24 0.81 2.99 -1.09 -0.61 -5.00 121.20 125.26 1k8o s ILE 50 Ca 0.00 -0.73 -0.07 0.00 -2.23 0.00 0.00 60.65 57.63 1k8o s ILE 50 Cb -0.13 -3.98 0.17 0.00 -1.58 0.00 0.00 42.46 36.94 1k8o s ILE 50 CO -0.04 -0.38 1.11 0.41 -1.23 0.00 0.00 174.94 174.81 1k8o n THR 51 N 5.19 0.00 -0.01 2.92 -1.04 -1.26 -2.41 114.28 117.67 1k8o n THR 51 Ca -0.11 -1.30 0.00 0.00 -2.04 0.00 0.00 64.05 60.60 1k8o n THR 51 Cb 0.46 -1.16 -0.02 0.00 -1.82 0.00 0.00 70.33 67.79 1k8o n THR 51 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1k8o n SER 52 N -3.29 4.26 -0.67 8.00 7.64 -1.26 -4.68 113.62 123.61 1k8o n SER 52 Ca 0.16 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 60.00 1k8o n SER 52 Cb 0.57 0.86 -0.02 0.00 -1.01 0.00 0.00 64.21 64.61 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 -1.87 -1.53 -3.68 1.43 0.00 -1.26 -4.72 116.66 105.03 1k8o n ARG 53 Ca -0.03 0.32 0.02 0.00 -0.00 0.00 0.00 57.85 58.16 1k8o n ARG 53 Cb 0.34 -4.03 -0.00 0.00 -0.00 0.00 0.00 32.46 28.77 1k8o n ARG 53 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1k8o s TYR 54 N -1.05 -0.02 -0.27 2.89 2.02 -1.26 -4.88 117.35 114.78 1k8o s TYR 54 Ca 0.00 -0.06 -0.12 0.00 -0.37 0.00 0.00 57.07 56.52 1k8o s TYR 54 Cb 0.00 0.54 -0.05 0.00 -0.40 0.00 0.00 41.96 42.05 1k8o s TYR 54 CO 0.00 -0.22 0.24 -0.51 -1.57 0.00 0.00 175.55 173.49 1k8o s ASP 55 N -3.14 6.10 0.16 2.29 1.11 -1.26 -3.35 116.67 118.58 1k8o s ASP 55 Ca 0.17 0.09 0.01 0.00 0.18 0.00 0.00 52.55 53.00 1k8o s ASP 55 Cb 0.04 -2.14 -0.04 0.00 1.07 0.00 0.00 42.92 41.85 1k8o s ASP 55 CO -0.04 -0.07 0.02 -0.83 1.18 0.00 0.00 175.17 175.42 1k8o s GLY 56 N 1.64 1.17 -0.27 0.21 0.00 -0.85 -4.74 107.32 104.48 1k8o s GLY 56 Ca 0.09 -1.57 -0.10 0.00 0.00 0.00 0.00 44.72 43.15 1k8o s GLY 56 CO 0.10 -1.49 0.16 0.14 0.00 0.00 0.00 173.10 172.01 1k8o s VAL 57 N -3.75 5.03 -0.25 1.40 1.01 -0.86 0.17 120.40 123.15 1k8o s VAL 57 Ca 0.24 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 1k8o s VAL 57 Cb 0.06 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 1k8o s VAL 57 CO 0.04 0.28 0.22 -0.63 0.00 0.00 0.00 175.10 175.00 1k8o s ILE 58 N 1.72 5.31 -0.17 2.22 1.01 0.34 -1.01 121.20 130.62 1k8o s ILE 58 Ca 0.07 0.27 0.18 0.00 0.00 0.00 0.00 60.65 61.17 1k8o s ILE 58 Cb -0.16 -3.55 -0.26 0.00 0.01 0.00 0.00 42.46 38.50 1k8o s ILE 58 CO 0.09 0.28 0.16 1.17 0.00 0.00 0.00 174.94 176.64 1k8o n LYS 59 N 4.70 0.68 -3.73 2.79 4.81 -1.07 0.17 118.16 126.51 1k8o n LYS 59 Ca -0.13 -0.03 -0.13 0.00 -0.87 0.00 0.00 58.31 57.15 1k8o n LYS 59 Cb 0.52 -1.53 -0.10 0.00 0.02 0.00 0.00 35.03 33.94 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 -2.65 0.48 -0.03 1.64 0.00 -1.26 -2.06 119.74 115.86 1k8o s LYS 60 Ca -0.09 0.56 0.04 0.00 0.00 0.00 0.00 55.97 56.47 1k8o s LYS 60 Cb 0.07 0.23 -0.00 0.00 0.00 0.00 0.00 37.83 38.13 1k8o s LYS 60 CO 0.84 -0.06 -0.15 -0.51 0.00 0.00 0.00 175.35 175.47 1k8o s LEU 61 N 0.20 1.91 -0.05 2.77 1.43 -1.26 -3.93 118.68 119.75 1k8o s LEU 61 Ca -0.00 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1k8o s LEU 61 Cb -0.03 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 1k8o s LEU 61 CO 0.01 0.14 -0.05 0.00 0.23 0.00 0.00 176.35 176.67 1k8o n TYR 62 N 3.08 0.00 -3.13 0.29 9.36 -1.26 -4.94 117.16 120.56 1k8o n TYR 62 Ca -0.17 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.67 1k8o n TYR 62 Cb 0.54 -0.18 -0.06 0.00 -0.63 0.00 0.00 39.34 39.01 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 -2.09 3.73 0.21 2.98 1.51 -1.26 -5.01 117.35 117.41 1k8o s TYR 63 Ca -0.07 1.39 0.01 0.00 -1.01 0.00 0.00 57.07 57.39 1k8o s TYR 63 Cb 0.02 -2.60 -0.00 0.00 -0.11 0.00 0.00 41.96 39.26 1k8o s TYR 63 CO 0.10 0.44 0.03 0.09 -1.11 0.00 0.00 175.55 175.10 1k8o n ASN 64 N 1.12 1.84 0.32 2.29 4.13 -1.26 -4.96 115.26 118.73 1k8o n ASN 64 Ca -0.05 -1.99 0.18 0.00 1.68 0.00 0.00 54.58 54.40 1k8o n ASN 64 Cb 0.51 0.32 0.94 0.00 -1.54 0.00 0.00 39.78 40.00 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 -1.93 -2.30 115.31 117.87 1k8o h LEU 65 Ca -0.17 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 1k8o h LEU 65 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1k8o h LEU 65 CO 0.27 0.00 -1.79 -0.67 0.09 0.00 0.00 178.44 176.34 1k8o n ASP 66 N -3.05 1.79 -4.80 -0.43 -0.08 -1.26 -4.18 116.55 104.55 1k8o n ASP 66 Ca -0.02 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.91 1k8o n ASP 66 Cb 0.29 1.14 -0.06 0.00 2.34 0.00 0.00 41.12 44.83 1k8o n ASP 66 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1k8o s ASP 67 N -4.22 7.00 -0.12 1.67 1.11 -0.87 -4.85 116.67 116.39 1k8o s ASP 67 Ca -0.06 1.84 -0.07 0.00 0.18 0.00 0.00 52.55 54.44 1k8o s ASP 67 Cb 0.06 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 1k8o s ASP 67 CO 0.55 -0.31 0.12 -0.63 1.18 0.00 0.00 175.17 176.08 1k8o s ILE 68 N -1.84 5.37 0.14 0.77 -1.09 -1.26 -2.73 121.20 120.54 1k8o s ILE 68 Ca 0.57 0.16 0.07 0.00 -2.23 0.00 0.00 60.65 59.21 1k8o s ILE 68 Cb -0.16 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1k8o s ILE 68 CO 0.21 0.61 -0.02 0.00 -1.23 0.00 0.00 174.94 174.50 1k8o s ALA 69 N -0.92 3.18 0.03 9.38 0.00 0.14 -4.92 121.76 128.66 1k8o s ALA 69 Ca 0.14 -1.27 0.07 0.00 0.00 0.00 0.00 51.96 50.90 1k8o s ALA 69 Cb -0.12 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 1k8o s ALA 69 CO 0.03 0.57 -0.21 0.71 0.00 0.00 0.00 175.76 176.87 1k8o s TYR 70 N -1.51 2.49 0.21 0.00 2.02 -1.26 -2.65 117.35 116.65 1k8o s TYR 70 Ca 0.26 -0.31 -0.30 0.00 -0.37 0.00 0.00 57.07 56.35 1k8o s TYR 70 Cb -0.10 -1.46 -0.08 0.00 -0.40 0.00 0.00 41.96 39.91 1k8o s TYR 70 CO 0.18 0.19 1.13 0.54 -1.57 0.00 0.00 175.55 176.02 1k8o s VAL 71 N -0.85 3.63 0.00 0.71 0.11 -1.25 -3.99 120.40 118.76 1k8o s VAL 71 Ca 0.13 1.47 0.00 0.00 -2.93 0.00 0.00 61.98 60.65 1k8o s VAL 71 Cb -0.10 -3.93 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 1k8o s VAL 71 CO 0.03 0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.69 1k8o n GLY 72 N 1.80 1.09 3.51 6.54 0.00 -1.26 -4.49 105.19 112.38 1k8o n GLY 72 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.01 0.62 0.81 1.61 2.47 -1.26 -5.14 119.74 118.84 1k8o s LYS 73 Ca 0.00 1.02 -0.13 0.00 -1.56 0.00 0.00 55.97 55.30 1k8o s LYS 73 Cb 0.00 0.14 0.08 0.00 -1.46 0.00 0.00 37.83 36.59 1k8o s LYS 73 CO 0.00 -0.14 1.20 -2.14 0.16 0.00 0.00 175.35 174.43 1k8o s PRO 74 N 1.29 1.63 0.00 4.03 0.02 -1.26 -4.16 135.00 136.55 1k8o s PRO 74 Ca -0.08 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.69 1k8o s PRO 74 Cb -0.06 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.69 1k8o s PRO 74 CO -0.13 -2.22 0.00 1.47 -0.33 0.00 0.00 177.00 175.79 1k8o n LEU 75 N -3.32 0.00 -4.21 -5.54 -0.00 0.21 -4.90 117.00 99.25 1k8o n LEU 75 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.01 1k8o n LEU 75 Cb 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.82 1k8o n LEU 75 CO 0.48 0.00 -0.40 0.54 -0.00 0.00 0.00 177.39 178.01 1k8o s VAL 76 N -1.77 0.97 -0.14 1.47 0.11 -1.10 -4.14 120.40 115.80 1k8o s VAL 76 Ca 0.00 -1.91 0.00 0.00 -2.93 0.00 0.00 61.98 57.14 1k8o s VAL 76 Cb 0.00 -1.67 0.02 0.00 -1.53 0.00 0.00 36.38 33.20 1k8o s VAL 76 CO 0.00 -0.73 -0.13 -1.81 -3.33 0.00 0.00 175.10 169.10 1k8o s ASP 77 N -2.94 2.54 0.04 3.54 1.11 -1.25 -1.86 116.67 117.85 1k8o s ASP 77 Ca 0.12 -0.44 0.03 0.00 0.18 0.00 0.00 52.55 52.45 1k8o s ASP 77 Cb 0.02 -1.09 -0.02 0.00 1.07 0.00 0.00 42.92 42.89 1k8o s ASP 77 CO -0.01 -0.06 -0.10 -0.63 1.18 0.00 0.00 175.17 175.55 1k8o s ILE 78 N 1.49 0.72 -0.33 0.77 1.09 -0.42 -2.61 121.20 121.92 1k8o s ILE 78 Ca 0.04 -1.02 -0.13 0.00 -1.10 0.00 0.00 60.65 58.44 1k8o s ILE 78 Cb -0.13 -0.73 -0.02 0.00 -1.06 0.00 0.00 42.46 40.52 1k8o s ILE 78 CO -0.09 -0.24 0.25 -1.61 -0.10 0.00 0.00 174.94 173.14 1k8o s GLU 79 N -1.40 3.56 0.05 2.79 2.02 -0.18 0.18 118.70 125.73 1k8o s GLU 79 Ca -0.05 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.35 1k8o s GLU 79 Cb -0.09 -3.79 -0.03 0.00 0.10 0.00 0.00 34.13 30.32 1k8o s GLU 79 CO 0.01 -0.42 -0.04 0.95 0.02 0.00 0.00 175.26 175.78 1k8o s THR 80 N 1.75 0.31 0.47 3.63 -4.23 -1.26 -2.02 115.64 114.29 1k8o s THR 80 Ca 0.07 -1.55 -0.24 0.00 -1.18 0.00 0.00 61.69 58.79 1k8o s THR 80 Cb -0.17 -1.17 -0.08 0.00 1.34 0.00 0.00 72.50 72.42 1k8o s THR 80 CO 0.11 -0.80 1.21 -0.62 -0.54 0.00 0.00 174.62 173.98 1k8o n GLU 81 N 0.56 1.67 -1.27 3.99 -0.58 -1.26 -4.72 120.64 119.03 1k8o n GLU 81 Ca -0.17 0.60 -0.59 0.00 -0.42 0.00 0.00 57.16 56.58 1k8o n GLU 81 Cb 0.59 -2.35 -0.12 0.00 -0.57 0.00 0.00 31.44 28.99 1k8o n GLU 81 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k8o n ALA 82 N -0.62 0.28 -2.55 0.62 0.00 -1.26 -4.92 120.51 112.07 1k8o n ALA 82 Ca 0.09 0.17 -0.28 0.00 0.00 0.00 0.00 53.44 53.42 1k8o n ALA 82 Cb 0.42 -2.12 -0.16 0.00 0.00 0.00 0.00 19.45 17.59 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 6.09 2.02 0.63 0.00 1.43 -0.55 -5.01 118.68 123.29 1k8o s LEU 83 Ca 1.19 -0.39 0.31 0.00 -1.03 0.00 0.00 54.13 54.20 1k8o s LEU 83 Cb -1.45 -1.10 1.67 0.00 0.03 0.00 0.00 46.19 45.34 1k8o s LEU 83 CO 0.65 0.24 2.00 0.50 0.23 0.00 0.00 176.35 179.96 1k8o h LYS 84 N 5.79 0.00 -0.74 1.70 3.64 -1.91 0.25 116.57 125.30 1k8o h LYS 84 Ca -0.37 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.16 1k8o h LYS 84 Cb 1.15 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.83 1k8o h LYS 84 CO 0.48 0.00 -0.15 0.22 -2.27 0.00 0.00 179.45 177.72 1k8o h ASP 85 N 0.00 -0.63 0.00 4.20 3.58 -1.98 -3.23 116.42 118.36 1k8o h ASP 85 Ca 0.08 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1k8o h ASP 85 Cb 0.70 0.44 0.00 0.00 1.72 0.00 0.00 39.33 42.18 1k8o h ASP 85 CO -0.00 -0.23 0.00 -0.11 -2.88 0.00 0.00 179.24 176.01 1k8o n LEU 86 N -5.47 0.37 0.00 2.28 0.00 -0.96 -5.18 117.00 108.04 1k8o n LEU 86 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 56.01 55.75 1k8o n LEU 86 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.81 1k8o n LEU 86 CO 0.01 0.09 0.00 -1.84 0.00 0.00 0.00 177.39 175.65