#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 1.76 3.08 3.17 0.00 -1.26 -5.13 105.19 106.81 1k8o n GLY 2 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1k8o n GLY 2 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1k8o s GLN 3 N -0.01 0.51 0.07 1.61 -2.07 -1.26 -5.17 119.66 113.35 1k8o s GLN 3 Ca 0.00 -0.72 0.08 0.00 -1.82 0.00 0.00 55.36 52.90 1k8o s GLN 3 Cb 0.00 0.20 -0.03 0.00 -1.09 0.00 0.00 33.01 32.08 1k8o s GLN 3 CO 0.00 -0.12 -0.20 0.14 -1.32 0.00 0.00 175.29 173.79 1k8o s VAL 4 N -2.33 2.66 -0.13 3.63 -7.23 -1.26 -4.68 120.40 111.06 1k8o s VAL 4 Ca -0.07 -1.37 -0.12 0.00 -1.81 0.00 0.00 61.98 58.61 1k8o s VAL 4 Cb -0.03 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 1k8o s VAL 4 CO -0.04 0.25 0.25 0.68 -0.31 0.00 0.00 175.10 175.93 1k8o s VAL 5 N -0.99 5.33 -0.05 1.32 -7.23 0.55 -4.79 120.40 114.53 1k8o s VAL 5 Ca 0.15 0.45 -0.02 0.00 -1.81 0.00 0.00 61.98 60.76 1k8o s VAL 5 Cb -0.10 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 1k8o s VAL 5 CO 0.06 0.48 0.06 -1.10 -0.31 0.00 0.00 175.10 174.30 1k8o s GLN 6 N -0.14 3.10 -0.18 4.82 -0.21 -1.26 0.22 119.66 126.00 1k8o s GLN 6 Ca 0.16 -0.40 -0.10 0.00 0.02 0.00 0.00 55.36 55.03 1k8o s GLN 6 Cb -0.13 -2.89 -0.05 0.00 1.00 0.00 0.00 33.01 30.94 1k8o s GLN 6 CO 0.04 0.69 0.16 0.12 -2.12 0.00 0.00 175.29 174.18 1k8o s PHE 7 N -1.06 3.45 -0.09 0.91 5.36 0.65 -4.94 117.98 122.26 1k8o s PHE 7 Ca 0.18 0.41 0.03 0.00 -0.96 0.00 0.00 56.93 56.59 1k8o s PHE 7 Cb -0.12 -2.17 0.01 0.00 -0.34 0.00 0.00 43.02 40.41 1k8o s PHE 7 CO 0.08 0.34 -0.17 0.21 -1.46 0.00 0.00 175.22 174.23 1k8o s LYS 8 N 0.19 2.27 -0.28 10.12 2.20 -1.26 0.11 119.74 133.08 1k8o s LYS 8 Ca 0.11 -0.60 -0.37 0.00 -0.36 0.00 0.00 55.97 54.74 1k8o s LYS 8 Cb -0.12 -1.81 -0.13 0.00 -1.51 0.00 0.00 37.83 34.26 1k8o s LYS 8 CO -0.00 0.06 1.98 -0.11 -0.36 0.00 0.00 175.35 176.92 1k8o n LEU 9 N 3.80 2.46 -0.25 5.43 -0.00 -1.26 -4.78 117.00 122.39 1k8o n LEU 9 Ca -0.21 0.75 0.00 0.00 -0.00 0.00 0.00 56.01 56.55 1k8o n LEU 9 Cb 0.52 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 1k8o n LEU 9 CO 0.26 -0.50 0.27 -0.24 -0.00 0.00 0.00 177.39 177.18 1k8o n SER 10 N 7.72 0.12 0.31 1.96 2.88 -1.26 -3.64 113.62 121.71 1k8o n SER 10 Ca 0.33 -1.59 0.20 0.00 -1.33 0.00 0.00 58.87 56.47 1k8o n SER 10 Cb 0.20 -0.11 0.96 0.00 -0.75 0.00 0.00 64.21 64.51 1k8o n SER 10 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1k8o h ASP 11 N 0.00 0.00 -4.18 -3.46 3.32 -1.98 -3.44 116.42 106.68 1k8o h ASP 11 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 1k8o h ASP 11 Cb 1.19 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.65 1k8o h ASP 11 CO 0.00 0.01 -0.32 2.30 -1.72 0.00 0.00 179.24 179.51 1k8o n ILE 12 N -3.14 0.00 -1.33 0.35 -0.00 -1.26 -5.08 119.36 108.90 1k8o n ILE 12 Ca -0.01 -1.65 -0.29 0.00 -0.00 0.00 0.00 62.75 60.80 1k8o n ILE 12 Cb 0.18 0.56 0.17 0.00 -0.00 0.00 0.00 39.64 40.55 1k8o n ILE 12 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1k8o s GLY 13 N -2.76 1.58 -0.17 3.28 0.00 -1.26 -4.91 107.32 103.09 1k8o s GLY 13 Ca 0.13 -0.57 0.05 0.00 0.00 0.00 0.00 44.72 44.33 1k8o s GLY 13 CO 0.09 0.07 1.28 -2.21 0.00 0.00 0.00 173.10 172.33 1k8o n GLU 14 N -4.10 2.57 -0.76 2.90 2.13 -1.26 -3.97 120.64 118.14 1k8o n GLU 14 Ca 0.07 -1.64 -0.04 0.00 0.66 0.00 0.00 57.16 56.21 1k8o n GLU 14 Cb 0.59 -1.81 -0.04 0.00 0.27 0.00 0.00 31.44 30.45 1k8o n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k8o n GLY 15 N 0.08 0.44 0.00 8.31 0.00 -1.26 -5.00 105.19 107.76 1k8o n GLY 15 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.58 -0.61 -6.64 -1.25 -5.12 119.36 104.16 1k8o n ILE 16 Ca -0.16 0.00 -0.39 0.00 -1.77 0.00 0.00 62.75 60.43 1k8o n ILE 16 Cb 0.55 0.00 0.04 0.00 -1.44 0.00 0.00 39.64 38.79 1k8o n ILE 16 CO 0.00 0.00 0.00 -2.11 -1.77 0.00 0.00 176.55 172.67 1k8o n ARG 17 N 0.00 0.90 -3.10 6.28 1.85 -1.26 -4.90 116.66 116.42 1k8o n ARG 17 Ca 0.00 0.34 -0.19 0.00 -1.00 0.00 0.00 57.85 57.00 1k8o n ARG 17 Cb 0.00 -2.02 0.03 0.00 -1.05 0.00 0.00 32.46 29.42 1k8o n ARG 17 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1k8o s GLU 18 N -2.41 2.59 0.04 2.89 2.02 -1.26 -4.72 118.70 117.85 1k8o s GLU 18 Ca 0.71 -1.45 0.03 0.00 0.02 0.00 0.00 54.97 54.29 1k8o s GLU 18 Cb -0.46 -2.66 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 1k8o s GLU 18 CO 0.51 -0.50 -0.10 0.54 0.02 0.00 0.00 175.26 175.73 1k8o s VAL 19 N -2.50 0.77 0.34 2.63 0.11 -1.10 -4.95 120.40 115.71 1k8o s VAL 19 Ca 0.56 -1.03 0.07 0.00 -2.93 0.00 0.00 61.98 58.65 1k8o s VAL 19 Cb -0.08 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 1k8o s VAL 19 CO 0.34 -0.22 0.42 -0.89 -3.33 0.00 0.00 175.10 171.43 1k8o s THR 20 N -1.12 3.84 0.17 5.04 2.01 -1.26 0.66 115.64 124.98 1k8o s THR 20 Ca -0.05 -1.11 -0.30 0.00 0.31 0.00 0.00 61.69 60.54 1k8o s THR 20 Cb -0.09 -3.32 -0.07 0.00 0.01 0.00 0.00 72.50 69.03 1k8o s THR 20 CO 0.01 -0.15 0.96 -0.69 -0.69 0.00 0.00 174.62 174.06 1k8o s VAL 21 N -2.23 4.26 -0.09 3.82 1.01 -1.13 -3.98 120.40 122.06 1k8o s VAL 21 Ca 0.44 2.04 0.13 0.00 0.00 0.00 0.00 61.98 64.60 1k8o s VAL 21 Cb -0.08 -4.30 -0.20 0.00 0.00 0.00 0.00 36.38 31.80 1k8o s VAL 21 CO 0.30 0.39 0.16 1.17 0.00 0.00 0.00 175.10 177.12 1k8o n LYS 22 N 2.19 1.23 -3.68 2.72 4.81 0.34 -4.08 118.16 121.70 1k8o n LYS 22 Ca 0.00 -0.06 -0.19 0.00 -0.87 0.00 0.00 58.31 57.19 1k8o n LYS 22 Cb 0.48 -1.36 -0.18 0.00 0.02 0.00 0.00 35.03 33.99 1k8o n LYS 22 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1k8o s GLU 23 N -2.61 -0.07 -0.14 1.64 2.56 0.13 -4.98 118.70 115.24 1k8o s GLU 23 Ca -0.06 0.38 0.01 0.00 0.00 0.00 0.00 54.97 55.30 1k8o s GLU 23 Cb 0.06 -0.47 0.02 0.00 2.00 0.00 0.00 34.13 35.74 1k8o s GLU 23 CO 0.59 -0.31 -0.18 -1.58 -0.56 0.00 0.00 175.26 173.22 1k8o s TRP 24 N 2.07 2.35 -0.27 5.30 0.52 -1.26 -0.07 118.94 127.58 1k8o s TRP 24 Ca 0.04 -1.23 0.15 0.00 0.02 0.00 0.00 56.10 55.07 1k8o s TRP 24 Cb -0.12 -1.66 0.49 0.00 -1.15 0.00 0.00 33.47 31.03 1k8o s TRP 24 CO -0.03 -0.62 1.15 0.66 0.02 0.00 0.00 176.95 178.13 1k8o n TYR 25 N 4.37 1.95 -3.86 -1.98 4.02 -1.07 -5.06 117.16 115.53 1k8o n TYR 25 Ca -0.19 -2.16 -0.08 0.00 -0.01 0.00 0.00 57.90 55.45 1k8o n TYR 25 Cb 0.51 -0.28 -0.03 0.00 -0.02 0.00 0.00 39.34 39.51 1k8o n TYR 25 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1k8o s VAL 26 N -4.16 0.00 0.09 -0.72 -7.23 -1.26 -4.80 120.40 102.33 1k8o s VAL 26 Ca 0.38 -1.05 -0.10 0.00 -1.81 0.00 0.00 61.98 59.40 1k8o s VAL 26 Cb 0.36 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 35.36 1k8o s VAL 26 CO -0.00 -0.02 0.23 -0.54 -0.31 0.00 0.00 175.10 174.46 1k8o s LYS 27 N -3.93 0.86 0.22 4.82 -0.14 -1.26 -5.06 119.74 115.24 1k8o s LYS 27 Ca 0.14 -0.84 -0.32 0.00 -1.36 0.00 0.00 55.97 53.59 1k8o s LYS 27 Cb -0.03 0.36 -0.14 0.00 -1.68 0.00 0.00 37.83 36.33 1k8o s LYS 27 CO 0.05 -0.28 1.31 0.39 -0.76 0.00 0.00 175.35 176.06 1k8o n GLU 28 N 0.05 1.70 -0.89 1.68 1.02 -1.26 0.26 120.64 123.21 1k8o n GLU 28 Ca -0.16 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1k8o n GLU 28 Cb 0.62 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1k8o n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k8o n GLY 29 N 2.07 0.51 3.92 0.62 0.00 0.45 -4.89 105.19 107.87 1k8o n GLY 29 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.39 6.41 0.02 1.61 -1.08 0.14 -4.79 116.67 116.58 1k8o s ASP 30 Ca 0.00 0.49 -0.01 0.00 -0.52 0.00 0.00 52.55 52.51 1k8o s ASP 30 Cb 0.00 -2.05 -0.04 0.00 -1.46 0.00 0.00 42.92 39.37 1k8o s ASP 30 CO 0.00 -0.07 0.18 -0.89 0.52 0.00 0.00 175.17 174.90 1k8o s THR 31 N -1.91 5.32 0.35 1.71 2.01 -1.26 0.14 115.64 122.00 1k8o s THR 31 Ca 0.40 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 62.18 1k8o s THR 31 Cb -0.11 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1k8o s THR 31 CO 0.29 0.25 0.31 0.68 -0.69 0.00 0.00 174.62 175.46 1k8o s VAL 32 N -1.38 3.37 0.36 3.82 -7.23 0.45 -4.90 120.40 114.90 1k8o s VAL 32 Ca 0.30 -1.36 0.04 0.00 -1.81 0.00 0.00 61.98 59.15 1k8o s VAL 32 Cb -0.13 -3.15 -0.03 0.00 0.56 0.00 0.00 36.38 33.63 1k8o s VAL 32 CO 0.22 -0.14 0.15 -0.44 -0.31 0.00 0.00 175.10 174.58 1k8o s SER 33 N -4.03 2.26 0.44 4.85 0.01 -1.20 -1.72 113.70 114.32 1k8o s SER 33 Ca 0.42 -1.63 0.17 0.00 1.31 0.00 0.00 55.95 56.22 1k8o s SER 33 Cb -0.05 0.44 1.01 0.00 0.21 0.00 0.00 66.02 67.63 1k8o s SER 33 CO 0.27 -0.91 1.95 1.56 0.41 0.00 0.00 173.24 176.52 1k8o h GLN 34 N 1.98 0.00 0.00 12.44 4.20 -1.88 -2.83 115.11 129.01 1k8o h GLN 34 Ca -0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.37 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 0.54 0.23 -1.64 1.97 -0.67 0.00 0.00 178.83 179.26 1k8o n PHE 35 N -4.08 0.00 -3.17 2.96 1.16 -1.26 -4.28 117.46 108.79 1k8o n PHE 35 Ca -0.02 0.00 -0.45 0.00 -1.87 0.00 0.00 57.45 55.11 1k8o n PHE 35 Cb 0.30 -0.33 -0.02 0.00 -1.61 0.00 0.00 39.48 37.82 1k8o n PHE 35 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1k8o s ASP 36 N -3.87 6.85 0.85 5.98 2.15 -1.07 -5.04 116.67 122.53 1k8o s ASP 36 Ca -0.04 -2.68 -0.12 0.00 0.43 0.00 0.00 52.55 50.14 1k8o s ASP 36 Cb 0.13 -2.29 0.10 0.00 -0.30 0.00 0.00 42.92 40.56 1k8o s ASP 36 CO 0.80 -0.69 1.10 -1.54 -0.17 0.00 0.00 175.17 174.67 1k8o n SER 37 N 4.72 0.49 -0.00 -0.34 3.41 -1.26 -3.24 113.62 117.39 1k8o n SER 37 Ca 0.21 0.51 -0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1k8o n SER 37 Cb 0.46 -1.47 -0.00 0.00 -0.26 0.00 0.00 64.21 62.94 1k8o n SER 37 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1k8o h ILE 38 N -1.27 0.00 -4.15 -1.33 2.04 -1.69 -3.37 117.51 107.74 1k8o h ILE 38 Ca -0.45 -0.15 -0.14 0.00 1.00 0.00 0.00 64.86 65.12 1k8o h ILE 38 Cb 1.29 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.20 1k8o h ILE 38 CO 0.43 0.00 -0.68 0.00 0.00 0.00 0.00 178.15 177.90 1k8o s GLU 40 N -3.13 -0.05 -0.01 0.00 8.01 0.90 -0.80 118.70 123.63 1k8o s GLU 40 Ca -0.00 0.32 0.03 0.00 0.01 0.00 0.00 54.97 55.32 1k8o s GLU 40 Cb 0.02 -0.37 -0.03 0.00 -4.31 0.00 0.00 34.13 29.44 1k8o s GLU 40 CO -0.07 -0.26 -0.06 0.14 0.01 0.00 0.00 175.26 175.03 1k8o s VAL 41 N 1.69 3.72 -0.12 2.63 -7.23 0.21 0.13 120.40 121.43 1k8o s VAL 41 Ca -0.02 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1k8o s VAL 41 Cb -0.12 -2.61 0.02 0.00 0.56 0.00 0.00 36.38 34.23 1k8o s VAL 41 CO -0.03 0.42 -0.10 -1.10 -0.31 0.00 0.00 175.10 173.98 1k8o s GLN 42 N -1.34 1.79 0.19 4.82 -0.21 -1.26 0.11 119.66 123.77 1k8o s GLN 42 Ca 0.17 -0.37 0.11 0.00 0.02 0.00 0.00 55.36 55.29 1k8o s GLN 42 Cb -0.11 -1.73 -0.04 0.00 1.00 0.00 0.00 33.01 32.13 1k8o s GLN 42 CO 0.07 -0.22 -0.21 0.45 -2.12 0.00 0.00 175.29 173.26 1k8o s SER 43 N 1.50 3.61 0.58 5.90 0.15 -0.85 -4.85 113.70 119.75 1k8o s SER 43 Ca 0.02 -0.81 0.32 0.00 0.70 0.00 0.00 55.95 56.18 1k8o s SER 43 Cb -0.13 -0.35 1.38 0.00 -1.71 0.00 0.00 66.02 65.20 1k8o s SER 43 CO -0.07 0.12 1.71 -2.24 1.20 0.00 0.00 173.24 173.95 1k8o h ASP 44 N 3.11 0.00 0.00 5.45 3.04 -2.01 -2.41 116.42 123.61 1k8o h ASP 44 Ca -0.46 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 1k8o h ASP 44 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 1k8o h ASP 44 CO 0.50 0.00 0.00 0.29 -2.04 0.00 0.00 179.24 177.99 1k8o n LYS 45 N -3.73 0.00 -4.04 4.15 5.02 -1.26 -5.00 118.16 113.31 1k8o n LYS 45 Ca 0.18 0.45 -0.09 0.00 -2.02 0.00 0.00 58.31 56.83 1k8o n LYS 45 Cb 1.10 -1.14 -0.09 0.00 -0.02 0.00 0.00 35.03 34.89 1k8o n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k8o s ALA 46 N -3.03 0.37 -0.33 7.82 0.00 -0.91 -5.14 121.76 120.55 1k8o s ALA 46 Ca 0.00 -1.11 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 1k8o s ALA 46 Cb 0.00 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1k8o s ALA 46 CO 0.00 -0.51 0.28 -1.12 0.00 0.00 0.00 175.76 174.41 1k8o s SER 47 N -2.97 6.10 -0.13 0.00 0.01 -1.26 -2.00 113.70 113.46 1k8o s SER 47 Ca 0.15 -0.31 -0.07 0.00 1.31 0.00 0.00 55.95 57.04 1k8o s SER 47 Cb 0.06 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 1k8o s SER 47 CO -0.03 -0.26 0.12 -0.69 0.41 0.00 0.00 173.24 172.79 1k8o s VAL 48 N 1.84 5.32 -0.04 3.43 1.01 0.12 -5.00 120.40 127.08 1k8o s VAL 48 Ca 0.08 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1k8o s VAL 48 Cb -0.17 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1k8o s VAL 48 CO 0.11 0.58 -0.05 0.42 0.00 0.00 0.00 175.10 176.16 1k8o s THR 49 N -0.73 0.58 -0.41 3.92 -4.23 -1.26 -0.62 115.64 112.88 1k8o s THR 49 Ca 0.13 -0.15 -0.16 0.00 -1.18 0.00 0.00 61.69 60.34 1k8o s THR 49 Cb -0.12 -0.59 0.02 0.00 1.34 0.00 0.00 72.50 73.15 1k8o s THR 49 CO 0.03 0.23 0.34 -0.63 -0.54 0.00 0.00 174.62 174.05 1k8o s ILE 50 N 0.88 5.21 0.72 2.99 1.09 0.02 -5.00 121.20 127.11 1k8o s ILE 50 Ca -0.12 -0.56 -0.02 0.00 -1.10 0.00 0.00 60.65 58.86 1k8o s ILE 50 Cb -0.14 -3.96 0.15 0.00 -1.06 0.00 0.00 42.46 37.44 1k8o s ILE 50 CO 0.00 -0.34 0.99 0.35 -0.10 0.00 0.00 174.94 175.84 1k8o n THR 51 N 5.25 0.00 0.00 2.92 -2.24 -1.26 -2.04 114.28 116.90 1k8o n THR 51 Ca -0.10 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.24 1k8o n THR 51 Cb 0.47 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1k8o n THR 51 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1k8o n SER 52 N -3.00 4.35 -0.16 3.42 2.88 -1.26 -4.71 113.62 115.13 1k8o n SER 52 Ca 0.16 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.68 1k8o n SER 52 Cb 0.56 0.30 -0.01 0.00 -0.75 0.00 0.00 64.21 64.31 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 -2.10 -1.69 -3.76 -1.46 5.12 -1.26 -4.83 116.66 106.68 1k8o n ARG 53 Ca 0.00 0.52 0.03 0.00 -1.93 0.00 0.00 57.85 56.47 1k8o n ARG 53 Cb 0.47 -4.82 0.00 0.00 -1.16 0.00 0.00 32.46 26.95 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 -1.31 -0.01 -0.29 -1.55 2.02 -1.26 -4.88 117.35 110.08 1k8o s TYR 54 Ca 0.00 -0.06 -0.15 0.00 -0.37 0.00 0.00 57.07 56.49 1k8o s TYR 54 Cb 0.00 0.53 -0.03 0.00 -0.40 0.00 0.00 41.96 42.06 1k8o s TYR 54 CO 0.00 -0.17 0.37 -0.51 -1.57 0.00 0.00 175.55 173.68 1k8o s ASP 55 N -3.35 6.23 0.32 2.29 1.11 -1.26 -3.19 116.67 118.82 1k8o s ASP 55 Ca 0.21 0.14 0.08 0.00 0.18 0.00 0.00 52.55 53.16 1k8o s ASP 55 Cb 0.04 -2.21 -0.06 0.00 1.07 0.00 0.00 42.92 41.75 1k8o s ASP 55 CO -0.04 -0.24 -0.06 -0.83 1.18 0.00 0.00 175.17 175.18 1k8o s GLY 56 N 1.67 2.04 -0.24 0.21 0.00 -0.70 -4.83 107.32 105.47 1k8o s GLY 56 Ca 0.14 -2.01 -0.07 0.00 0.00 0.00 0.00 44.72 42.78 1k8o s GLY 56 CO 0.11 -1.94 0.07 0.14 0.00 0.00 0.00 173.10 171.48 1k8o s VAL 57 N -2.84 4.34 -0.23 1.40 1.01 -0.90 0.17 120.40 123.35 1k8o s VAL 57 Ca 0.31 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1k8o s VAL 57 Cb 0.04 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1k8o s VAL 57 CO 0.14 0.35 0.17 -0.63 0.00 0.00 0.00 175.10 175.14 1k8o s ILE 58 N 1.51 5.35 -0.25 2.22 1.01 0.38 -1.00 121.20 130.41 1k8o s ILE 58 Ca 0.06 0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.88 1k8o s ILE 58 Cb -0.15 -3.51 -0.16 0.00 0.01 0.00 0.00 42.46 38.65 1k8o s ILE 58 CO 0.04 0.35 -0.21 1.17 0.00 0.00 0.00 174.94 176.28 1k8o n LYS 59 N 4.20 0.63 -3.98 2.79 4.81 -1.08 0.17 118.16 125.70 1k8o n LYS 59 Ca -0.15 0.22 -0.11 0.00 -0.87 0.00 0.00 58.31 57.40 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 -1.59 1.17 0.00 0.00 177.40 176.98 1k8o s LYS 60 N -2.51 0.28 -0.02 1.64 0.00 -1.26 -1.02 119.74 116.84 1k8o s LYS 60 Ca -0.35 -0.42 0.01 0.00 0.00 0.00 0.00 55.97 55.20 1k8o s LYS 60 Cb 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 37.83 37.90 1k8o s LYS 60 CO 0.57 -0.00 -0.01 -0.51 0.00 0.00 0.00 175.35 175.40 1k8o s LEU 61 N -0.94 1.54 -0.07 2.77 1.43 -1.26 -3.94 118.68 118.21 1k8o s LEU 61 Ca -0.09 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1k8o s LEU 61 Cb -0.06 -0.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.93 1k8o s LEU 61 CO -0.00 -0.04 -0.08 0.00 0.23 0.00 0.00 176.35 176.46 1k8o n TYR 62 N 3.64 0.00 -3.37 0.29 9.36 -1.26 -4.92 117.16 120.89 1k8o n TYR 62 Ca -0.21 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.63 1k8o n TYR 62 Cb 0.54 -0.26 -0.06 0.00 -0.63 0.00 0.00 39.34 38.93 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 -2.14 3.61 0.12 2.98 2.02 -1.26 -5.00 117.35 117.69 1k8o s TYR 63 Ca -0.10 0.96 0.01 0.00 -0.37 0.00 0.00 57.07 57.57 1k8o s TYR 63 Cb 0.03 -2.46 0.01 0.00 -0.40 0.00 0.00 41.96 39.14 1k8o s TYR 63 CO 0.14 0.36 0.06 0.09 -1.57 0.00 0.00 175.55 174.64 1k8o n ASN 64 N 2.89 1.65 0.27 2.29 4.13 -1.26 -4.92 115.26 120.31 1k8o n ASN 64 Ca -0.10 -1.44 0.17 0.00 1.68 0.00 0.00 54.58 54.89 1k8o n ASN 64 Cb 0.52 0.02 0.84 0.00 -1.54 0.00 0.00 39.78 39.61 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 -1.94 -1.64 115.31 119.20 1k8o h LEU 65 Ca -0.08 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.64 1k8o h LEU 65 Cb 0.28 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.98 1k8o h LEU 65 CO 0.13 0.00 -2.11 0.47 -1.08 0.00 0.00 178.44 175.85 1k8o n ASP 66 N -3.17 0.71 -4.78 -0.43 9.92 -1.26 -4.05 116.55 113.48 1k8o n ASP 66 Ca 0.00 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.89 1k8o n ASP 66 Cb 0.40 1.17 -0.05 0.00 -0.64 0.00 0.00 41.12 41.99 1k8o n ASP 66 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1k8o s ASP 67 N -4.89 7.07 -0.14 -2.24 1.01 -0.62 -4.86 116.67 112.00 1k8o s ASP 67 Ca -0.08 1.97 -0.09 0.00 0.71 0.00 0.00 52.55 55.05 1k8o s ASP 67 Cb 0.07 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 1k8o s ASP 67 CO 0.73 -0.27 0.17 -0.63 0.21 0.00 0.00 175.17 175.39 1k8o s ILE 68 N -1.59 5.42 0.01 0.77 -1.09 -1.26 -2.83 121.20 120.62 1k8o s ILE 68 Ca 0.53 0.29 -0.02 0.00 -2.23 0.00 0.00 60.65 59.22 1k8o s ILE 68 Cb -0.21 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1k8o s ILE 68 CO 0.27 0.53 0.19 0.00 -1.23 0.00 0.00 174.94 174.70 1k8o s ALA 69 N -0.39 3.97 0.07 9.38 0.00 0.21 -4.91 121.76 130.09 1k8o s ALA 69 Ca 0.13 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.39 1k8o s ALA 69 Cb -0.12 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1k8o s ALA 69 CO 0.03 0.76 -0.13 0.71 0.00 0.00 0.00 175.76 177.13 1k8o s TYR 70 N -1.37 2.68 0.10 0.00 2.02 -1.26 -2.71 117.35 116.81 1k8o s TYR 70 Ca 0.29 -0.18 -0.30 0.00 -0.37 0.00 0.00 57.07 56.51 1k8o s TYR 70 Cb -0.13 -1.45 -0.06 0.00 -0.40 0.00 0.00 41.96 39.92 1k8o s TYR 70 CO 0.21 0.36 1.00 0.08 -1.57 0.00 0.00 175.55 175.63 1k8o s VAL 71 N -1.09 4.44 0.00 0.71 1.01 -1.24 -3.82 120.40 120.42 1k8o s VAL 71 Ca 0.18 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.13 1k8o s VAL 71 Cb -0.11 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1k8o s VAL 71 CO 0.10 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1k8o n GLY 72 N 2.39 1.94 2.90 4.51 0.00 -1.26 -4.82 105.19 110.84 1k8o n GLY 72 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 0.71 1.04 1.61 -0.14 -1.25 -5.14 119.74 116.57 1k8o s LYS 73 Ca 0.00 -0.10 -0.17 0.00 -1.36 0.00 0.00 55.97 54.34 1k8o s LYS 73 Cb 0.00 -0.73 0.04 0.00 -1.68 0.00 0.00 37.83 35.45 1k8o s LYS 73 CO 0.00 -0.05 -0.01 -2.30 -0.76 0.00 0.00 175.35 172.22 1k8o n PRO 74 N 3.88 -0.84 0.00 -1.68 -0.02 -1.26 -4.31 135.00 130.77 1k8o n PRO 74 Ca -0.24 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.02 1k8o n PRO 74 Cb 0.52 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1k8o n PRO 74 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1k8o n LEU 75 N -0.76 0.07 -3.89 2.45 0.00 0.29 -4.87 117.00 110.30 1k8o n LEU 75 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.93 1k8o n LEU 75 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.90 1k8o n LEU 75 CO 0.51 -0.07 -0.25 0.54 0.00 0.00 0.00 177.39 178.12 1k8o s VAL 76 N -2.00 0.07 -0.22 1.96 0.11 -1.06 -4.27 120.40 115.00 1k8o s VAL 76 Ca 0.00 -0.57 -0.06 0.00 -2.93 0.00 0.00 61.98 58.42 1k8o s VAL 76 Cb 0.00 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1k8o s VAL 76 CO 0.00 -0.31 0.03 -1.81 -3.33 0.00 0.00 175.10 169.68 1k8o s ASP 77 N -1.02 4.98 0.05 3.54 1.11 -1.25 -0.25 116.67 123.82 1k8o s ASP 77 Ca -0.11 -0.19 0.03 0.00 0.18 0.00 0.00 52.55 52.45 1k8o s ASP 77 Cb -0.06 -1.87 -0.02 0.00 1.07 0.00 0.00 42.92 42.03 1k8o s ASP 77 CO 0.00 0.03 -0.09 -0.63 1.18 0.00 0.00 175.17 175.66 1k8o s ILE 78 N 1.23 0.68 -0.34 0.77 1.09 0.13 -2.65 121.20 122.12 1k8o s ILE 78 Ca 0.04 -1.09 -0.14 0.00 -1.10 0.00 0.00 60.65 58.36 1k8o s ILE 78 Cb -0.15 -0.72 -0.02 0.00 -1.06 0.00 0.00 42.46 40.52 1k8o s ILE 78 CO 0.02 -0.31 0.29 -0.70 -0.10 0.00 0.00 174.94 174.14 1k8o s GLU 79 N -1.53 3.54 0.07 2.79 2.12 -0.17 0.20 118.70 125.73 1k8o s GLU 79 Ca -0.07 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 54.74 1k8o s GLU 79 Cb -0.10 -3.80 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 1k8o s GLU 79 CO 0.01 -0.47 -0.07 0.95 -0.54 0.00 0.00 175.26 175.14 1k8o s THR 80 N 1.85 0.61 0.65 -1.70 -4.23 -1.26 -2.11 115.64 109.43 1k8o s THR 80 Ca 0.08 -1.61 -0.18 0.00 -1.18 0.00 0.00 61.69 58.81 1k8o s THR 80 Cb -0.17 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.37 1k8o s THR 80 CO 0.11 -0.70 1.08 1.21 -0.54 0.00 0.00 174.62 175.78 1k8o n GLU 81 N 0.52 0.88 -1.30 3.99 2.13 -1.26 -4.71 120.64 120.88 1k8o n GLU 81 Ca -0.16 0.35 -0.60 0.00 0.66 0.00 0.00 57.16 57.41 1k8o n GLU 81 Cb 0.59 -2.31 -0.11 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 -1.98 0.20 -3.84 4.31 0.00 -1.26 -4.92 120.51 113.02 1k8o n ALA 82 Ca 0.15 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.47 1k8o n ALA 82 Cb 0.48 -2.12 -0.16 0.00 0.00 0.00 0.00 19.45 17.65 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 5.91 1.78 0.63 0.00 2.96 -1.25 -4.99 118.68 123.72 1k8o s LEU 83 Ca 1.18 -0.49 0.30 0.00 -0.22 0.00 0.00 54.13 54.89 1k8o s LEU 83 Cb -1.44 -1.20 1.60 0.00 0.50 0.00 0.00 46.19 45.65 1k8o s LEU 83 CO 0.65 -0.01 1.94 0.07 -1.32 0.00 0.00 176.35 177.69 1k8o h LYS 84 N 7.71 0.00 -0.98 1.98 2.10 -1.91 -2.23 116.57 123.24 1k8o h LYS 84 Ca -0.35 0.00 0.20 0.00 -2.00 0.00 0.00 60.65 58.50 1k8o h LYS 84 Cb 1.16 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.30 1k8o h LYS 84 CO 0.53 0.00 -0.23 0.22 -2.00 0.00 0.00 179.45 177.96 1k8o h ASP 85 N 0.00 -0.89 0.00 7.07 1.82 -1.98 -3.10 116.42 119.33 1k8o h ASP 85 Ca 0.08 0.29 -0.05 0.00 -0.39 0.00 0.00 57.03 56.96 1k8o h ASP 85 Cb 0.79 0.60 -0.01 0.00 0.68 0.00 0.00 39.33 41.39 1k8o h ASP 85 CO -0.00 -0.33 -1.23 -0.11 -1.61 0.00 0.00 179.24 175.96 1k8o n LEU 86 N -5.61 0.00 0.00 2.28 7.94 -1.07 -5.21 117.00 115.33 1k8o n LEU 86 Ca 0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 1k8o n LEU 86 Cb 0.51 0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.53 1k8o n LEU 86 CO -0.11 0.07 0.00 -0.62 -1.11 0.00 0.00 177.39 175.62