#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 1.19 3.74 -5.12 0.00 -1.26 -5.11 105.19 98.64 1k8o n GLY 2 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.45 2.72 0.02 1.61 1.11 -1.26 -5.12 119.66 118.29 1k8o s GLN 3 Ca 0.00 -0.89 0.03 0.00 0.01 0.00 0.00 55.36 54.50 1k8o s GLN 3 Cb 0.00 -2.57 -0.04 0.00 -1.01 0.00 0.00 33.01 29.39 1k8o s GLN 3 CO 0.00 0.50 -0.02 0.14 0.01 0.00 0.00 175.29 175.92 1k8o s VAL 4 N -1.61 4.00 -0.21 1.09 -7.23 -1.26 -4.66 120.40 110.51 1k8o s VAL 4 Ca 0.29 -0.74 -0.13 0.00 -1.81 0.00 0.00 61.98 59.58 1k8o s VAL 4 Cb -0.10 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 1k8o s VAL 4 CO 0.21 0.31 0.27 0.68 -0.31 0.00 0.00 175.10 176.27 1k8o s VAL 5 N -1.13 5.29 -0.00 1.32 -7.23 0.58 -4.74 120.40 114.48 1k8o s VAL 5 Ca 0.21 0.44 -0.04 0.00 -1.81 0.00 0.00 61.98 60.78 1k8o s VAL 5 Cb -0.11 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 1k8o s VAL 5 CO 0.12 0.31 0.20 -1.10 -0.31 0.00 0.00 175.10 174.32 1k8o s GLN 6 N 1.09 3.47 -0.08 4.82 -0.21 -1.26 -0.86 119.66 126.64 1k8o s GLN 6 Ca 0.13 -0.26 -0.06 0.00 0.02 0.00 0.00 55.36 55.19 1k8o s GLN 6 Cb -0.14 -3.09 -0.04 0.00 1.00 0.00 0.00 33.01 30.74 1k8o s GLN 6 CO 0.06 0.67 0.17 0.12 -2.12 0.00 0.00 175.29 174.18 1k8o s PHE 7 N -1.32 3.59 0.08 0.91 5.36 -0.20 -4.93 117.98 121.47 1k8o s PHE 7 Ca 0.27 0.52 0.06 0.00 -0.96 0.00 0.00 56.93 56.83 1k8o s PHE 7 Cb -0.13 -1.94 -0.03 0.00 -0.34 0.00 0.00 43.02 40.59 1k8o s PHE 7 CO 0.18 0.71 -0.17 -1.59 -1.46 0.00 0.00 175.22 172.89 1k8o s LYS 8 N -1.28 0.97 0.31 10.12 0.00 -1.26 0.11 119.74 128.71 1k8o s LYS 8 Ca 0.19 -1.02 -0.20 0.00 0.00 0.00 0.00 55.97 54.94 1k8o s LYS 8 Cb -0.12 -1.09 -0.14 0.00 0.00 0.00 0.00 37.83 36.48 1k8o s LYS 8 CO 0.08 0.25 0.16 -0.11 0.00 0.00 0.00 175.35 175.73 1k8o n LEU 9 N 1.28 -2.18 0.00 2.77 -0.00 -1.25 -4.92 117.00 112.70 1k8o n LEU 9 Ca -0.20 0.77 0.00 0.00 -0.00 0.00 0.00 56.01 56.58 1k8o n LEU 9 Cb 0.54 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 1k8o n LEU 9 CO 0.22 -3.42 0.10 -1.54 -0.00 0.00 0.00 177.39 172.75 1k8o n SER 10 N 1.97 0.00 0.00 1.96 3.41 -1.26 -4.63 113.62 115.07 1k8o n SER 10 Ca 0.11 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1k8o n SER 10 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1k8o n SER 10 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1k8o n ASP 11 N -0.27 1.12 -4.62 4.04 2.03 -1.26 -4.95 116.55 112.63 1k8o n ASP 11 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1k8o n ASP 11 Cb 0.00 0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.52 1k8o n ASP 11 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1k8o s ILE 12 N -0.98 3.36 0.44 5.18 -4.36 -1.26 -4.79 121.20 118.78 1k8o s ILE 12 Ca 0.00 0.39 0.07 0.00 -0.26 0.00 0.00 60.65 60.85 1k8o s ILE 12 Cb 0.00 -3.38 -0.03 0.00 1.25 0.00 0.00 42.46 40.29 1k8o s ILE 12 CO 0.00 -0.18 0.22 -0.83 0.24 0.00 0.00 174.94 174.40 1k8o s GLY 13 N 5.59 2.36 -0.99 6.27 0.00 -1.26 -1.89 107.32 117.40 1k8o s GLY 13 Ca 0.83 -1.86 -0.27 0.00 0.00 0.00 0.00 44.72 43.42 1k8o s GLY 13 CO 0.34 -1.91 2.61 1.18 0.00 0.00 0.00 173.10 175.31 1k8o n GLU 14 N -1.35 0.03 0.00 2.90 4.71 -1.26 -2.30 120.64 123.37 1k8o n GLU 14 Ca -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 1k8o n GLU 14 Cb 0.64 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 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 6.33 0.38 0.00 0.62 0.00 -1.26 -5.14 105.19 106.12 1k8o n GLY 15 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -2.72 -0.61 -0.00 -0.97 -5.13 119.36 109.92 1k8o n ILE 16 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 62.75 62.37 1k8o n ILE 16 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 39.58 1k8o n ILE 16 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 1k8o s ARG 17 N 0.39 4.58 0.50 6.28 1.81 -1.26 -4.92 118.95 126.34 1k8o s ARG 17 Ca 0.00 1.41 0.08 0.00 -1.72 0.00 0.00 55.73 55.50 1k8o s ARG 17 Cb 0.00 -2.87 0.04 0.00 -0.45 0.00 0.00 34.95 31.67 1k8o s ARG 17 CO 0.00 0.26 0.69 -1.21 -0.68 0.00 0.00 175.30 174.36 1k8o s GLU 18 N -1.92 2.57 0.07 3.54 0.41 -1.26 -4.80 118.70 117.31 1k8o s GLU 18 Ca 0.49 -1.33 0.08 0.00 -0.41 0.00 0.00 54.97 53.80 1k8o s GLU 18 Cb -0.21 -2.68 -0.03 0.00 -1.78 0.00 0.00 34.13 29.43 1k8o s GLU 18 CO 0.27 -0.57 -0.22 0.54 -0.49 0.00 0.00 175.26 174.79 1k8o s VAL 19 N -2.53 1.77 0.21 2.63 0.11 -1.15 -4.93 120.40 116.51 1k8o s VAL 19 Ca 0.58 -1.40 0.03 0.00 -2.93 0.00 0.00 61.98 58.26 1k8o s VAL 19 Cb -0.08 -1.57 -0.03 0.00 -1.53 0.00 0.00 36.38 33.17 1k8o s VAL 19 CO 0.36 0.10 0.35 -0.89 -3.33 0.00 0.00 175.10 171.69 1k8o s THR 20 N -0.97 5.26 -0.06 5.04 2.01 -1.26 0.15 115.64 125.82 1k8o s THR 20 Ca 0.08 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 1k8o s THR 20 Cb -0.09 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1k8o s THR 20 CO 0.03 -0.24 1.04 -0.69 -0.69 0.00 0.00 174.62 174.07 1k8o s VAL 21 N -1.91 4.69 -0.13 3.82 1.01 -1.07 -3.75 120.40 123.06 1k8o s VAL 21 Ca 0.35 1.95 0.18 0.00 0.00 0.00 0.00 61.98 64.47 1k8o s VAL 21 Cb -0.10 -4.25 -0.25 0.00 0.00 0.00 0.00 36.38 31.78 1k8o s VAL 21 CO 0.29 0.06 0.37 1.17 0.00 0.00 0.00 175.10 177.00 1k8o n LYS 22 N 4.63 0.66 -3.66 2.72 3.00 0.26 -4.11 118.16 121.67 1k8o n LYS 22 Ca 0.08 0.01 -0.20 0.00 -0.00 0.00 0.00 58.31 58.20 1k8o n LYS 22 Cb 0.49 -1.60 -0.18 0.00 0.00 0.00 0.00 35.03 33.74 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 -2.86 -0.05 -0.21 1.64 0.41 -0.88 -4.99 118.70 111.77 1k8o s GLU 23 Ca -0.08 0.34 0.02 0.00 -0.41 0.00 0.00 54.97 54.84 1k8o s GLU 23 Cb 0.09 -0.64 0.04 0.00 -1.78 0.00 0.00 34.13 31.83 1k8o s GLU 23 CO 0.85 -0.37 -0.15 -1.58 -0.49 0.00 0.00 175.26 173.52 1k8o s TRP 24 N 2.18 2.86 -0.93 1.61 0.52 -1.26 -0.82 118.94 123.10 1k8o s TRP 24 Ca 0.05 -1.86 0.09 0.00 0.02 0.00 0.00 56.10 54.39 1k8o s TRP 24 Cb -0.12 -1.86 0.18 0.00 -1.15 0.00 0.00 33.47 30.52 1k8o s TRP 24 CO -0.04 -0.82 1.05 0.66 0.02 0.00 0.00 176.95 177.82 1k8o n TYR 25 N 4.57 0.23 -4.19 -1.98 4.02 -1.08 -5.02 117.16 113.72 1k8o n TYR 25 Ca -0.17 -0.30 -0.11 0.00 -0.01 0.00 0.00 57.90 57.30 1k8o n TYR 25 Cb 0.47 -0.02 -0.10 0.00 -0.02 0.00 0.00 39.34 39.67 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 -0.91 0.63 0.26 -0.72 -7.23 -1.25 -4.90 120.40 106.29 1k8o s VAL 26 Ca 0.16 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1k8o s VAL 26 Cb 0.09 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 1k8o s VAL 26 CO 0.13 -0.70 0.12 -0.54 -0.31 0.00 0.00 175.10 173.80 1k8o s LYS 27 N -3.88 1.42 0.26 4.82 -0.14 -1.26 -5.05 119.74 115.91 1k8o s LYS 27 Ca 0.17 -1.78 -0.31 0.00 -1.36 0.00 0.00 55.97 52.69 1k8o s LYS 27 Cb 0.06 -0.12 -0.12 0.00 -1.68 0.00 0.00 37.83 35.97 1k8o s LYS 27 CO -0.01 -0.35 1.66 -1.21 -0.76 0.00 0.00 175.35 174.68 1k8o s GLU 28 N -4.00 4.11 0.00 1.68 2.02 -1.26 -1.22 118.70 120.03 1k8o s GLU 28 Ca 0.37 2.61 0.00 0.00 0.02 0.00 0.00 54.97 57.98 1k8o s GLU 28 Cb 0.07 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1k8o s GLU 28 CO 0.14 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.13 1k8o n GLY 29 N 2.99 0.72 3.94 -1.39 0.00 0.45 -4.89 105.19 107.00 1k8o n GLY 29 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1k8o n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k8o s ASP 30 N -2.59 6.35 0.09 1.61 1.11 0.10 -4.78 116.67 118.56 1k8o s ASP 30 Ca 0.00 0.25 -0.01 0.00 0.18 0.00 0.00 52.55 52.97 1k8o s ASP 30 Cb 0.00 -1.94 -0.04 0.00 1.07 0.00 0.00 42.92 42.00 1k8o s ASP 30 CO 0.00 0.01 0.25 -0.89 1.18 0.00 0.00 175.17 175.72 1k8o s THR 31 N -1.80 5.34 0.20 -1.27 2.01 -1.26 0.15 115.64 119.02 1k8o s THR 31 Ca 0.36 -0.34 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1k8o s THR 31 Cb -0.11 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1k8o s THR 31 CO 0.29 0.09 0.18 0.68 -0.69 0.00 0.00 174.62 175.17 1k8o s VAL 32 N -1.57 4.57 0.19 3.82 -7.23 0.43 -4.88 120.40 115.73 1k8o s VAL 32 Ca 0.36 -1.18 0.07 0.00 -1.81 0.00 0.00 61.98 59.42 1k8o s VAL 32 Cb -0.13 -3.40 -0.05 0.00 0.56 0.00 0.00 36.38 33.37 1k8o s VAL 32 CO 0.28 -0.22 -0.14 -0.44 -0.31 0.00 0.00 175.10 174.27 1k8o s SER 33 N -3.47 2.39 0.60 4.85 0.01 -1.23 -2.11 113.70 114.74 1k8o s SER 33 Ca 0.32 -1.00 0.29 0.00 1.31 0.00 0.00 55.95 56.87 1k8o s SER 33 Cb -0.09 -0.11 1.58 0.00 0.21 0.00 0.00 66.02 67.61 1k8o s SER 33 CO 0.25 -0.19 1.99 1.56 0.41 0.00 0.00 173.24 177.25 1k8o h GLN 34 N 2.68 0.00 0.00 12.44 4.20 -1.90 0.40 115.11 132.93 1k8o h GLN 34 Ca -0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1k8o h GLN 34 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1k8o h GLN 34 CO 0.61 0.00 -1.96 0.34 -0.67 0.00 0.00 178.83 177.16 1k8o n PHE 35 N -3.65 0.00 -3.16 2.96 -0.00 -1.26 -3.91 117.46 108.44 1k8o n PHE 35 Ca 0.04 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 57.04 1k8o n PHE 35 Cb 0.49 -0.48 -0.04 0.00 -0.00 0.00 0.00 39.48 39.45 1k8o n PHE 35 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1k8o s ASP 36 N -4.44 6.37 0.90 -2.13 1.11 0.13 -4.99 116.67 113.63 1k8o s ASP 36 Ca -0.07 -1.85 -0.10 0.00 0.18 0.00 0.00 52.55 50.71 1k8o s ASP 36 Cb 0.14 -2.28 0.13 0.00 1.07 0.00 0.00 42.92 41.98 1k8o s ASP 36 CO 0.89 -0.95 1.14 -0.94 1.18 0.00 0.00 175.17 176.49 1k8o s SER 37 N 3.31 3.11 0.00 0.27 1.04 -1.26 -3.57 113.70 116.60 1k8o s SER 37 Ca 0.15 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.73 1k8o s SER 37 Cb -0.19 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1k8o s SER 37 CO 0.00 -2.98 0.00 -0.38 0.98 0.00 0.00 173.24 170.87 1k8o n ILE 38 N -4.14 0.00 -4.01 -1.02 5.41 -1.02 -4.07 119.36 110.51 1k8o n ILE 38 Ca 0.12 0.36 -0.08 0.00 1.00 0.00 0.00 62.75 64.15 1k8o n ILE 38 Cb 0.52 -1.17 -0.11 0.00 -0.71 0.00 0.00 39.64 38.18 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 -2.39 0.85 0.03 0.00 2.02 0.00 -1.33 118.70 117.88 1k8o s GLU 40 Ca -0.07 -0.06 0.09 0.00 0.02 0.00 0.00 54.97 54.95 1k8o s GLU 40 Cb -0.03 -0.98 -0.03 0.00 0.10 0.00 0.00 34.13 33.20 1k8o s GLU 40 CO -0.04 -0.17 -0.25 0.14 0.02 0.00 0.00 175.26 174.95 1k8o s VAL 41 N 1.35 2.19 -0.09 2.63 -7.23 0.26 0.90 120.40 120.41 1k8o s VAL 41 Ca -0.04 -1.29 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1k8o s VAL 41 Cb -0.13 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 35.01 1k8o s VAL 41 CO -0.02 0.43 -0.01 -1.10 -0.31 0.00 0.00 175.10 174.08 1k8o s GLN 42 N -1.07 0.78 0.15 4.82 1.11 -1.25 -0.01 119.66 124.19 1k8o s GLN 42 Ca 0.11 -0.01 0.08 0.00 0.01 0.00 0.00 55.36 55.55 1k8o s GLN 42 Cb -0.10 -1.20 -0.04 0.00 -1.01 0.00 0.00 33.01 30.66 1k8o s GLN 42 CO 0.01 -0.33 -0.18 0.45 0.01 0.00 0.00 175.29 175.25 1k8o s SER 43 N 1.91 2.56 0.48 5.90 0.15 -1.04 -4.67 113.70 119.00 1k8o s SER 43 Ca 0.04 -0.83 0.32 0.00 0.70 0.00 0.00 55.95 56.18 1k8o s SER 43 Cb -0.13 -0.14 1.43 0.00 -1.71 0.00 0.00 66.02 65.47 1k8o s SER 43 CO -0.06 -0.04 1.72 -0.78 1.20 0.00 0.00 173.24 175.28 1k8o h ASP 44 N 3.39 0.17 0.02 5.45 1.82 -2.00 -2.05 116.42 123.23 1k8o h ASP 44 Ca -0.42 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.27 1k8o h ASP 44 Cb 1.20 0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1k8o h ASP 44 CO 0.50 -0.02 -0.01 0.50 -1.61 0.00 0.00 179.24 178.60 1k8o h LYS 45 N 0.12 -0.02 -3.16 0.28 1.63 -1.98 -3.48 116.57 109.96 1k8o h LYS 45 Ca 0.68 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 60.36 1k8o h LYS 45 Cb 2.34 0.01 -0.20 0.00 -0.60 0.00 0.00 32.23 33.78 1k8o h LYS 45 CO -0.18 -0.02 -0.31 0.00 -3.45 0.00 0.00 179.45 175.50 1k8o s ALA 46 N -3.05 -0.68 -0.30 5.00 0.00 -0.77 -5.14 121.76 116.82 1k8o s ALA 46 Ca -0.00 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 1k8o s ALA 46 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1k8o s ALA 46 CO 0.01 -0.28 0.23 -1.54 0.00 0.00 0.00 175.76 174.18 1k8o s SER 47 N -1.46 6.06 -0.09 0.00 1.04 -1.26 -2.48 113.70 115.50 1k8o s SER 47 Ca -0.12 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1k8o s SER 47 Cb -0.05 -2.14 -0.03 0.00 0.10 0.00 0.00 66.02 63.91 1k8o s SER 47 CO 0.03 -0.13 -0.09 -0.69 0.98 0.00 0.00 173.24 173.34 1k8o s VAL 48 N 1.79 3.51 -0.11 5.02 1.01 0.98 -4.98 120.40 127.62 1k8o s VAL 48 Ca 0.08 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1k8o s VAL 48 Cb -0.16 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.77 1k8o s VAL 48 CO 0.11 0.56 -0.19 0.42 0.00 0.00 0.00 175.10 176.00 1k8o s THR 49 N -0.36 1.75 -0.46 3.92 -4.23 -1.26 -0.57 115.64 114.42 1k8o s THR 49 Ca 0.05 -0.81 -0.16 0.00 -1.18 0.00 0.00 61.69 59.59 1k8o s THR 49 Cb -0.12 -1.56 0.06 0.00 1.34 0.00 0.00 72.50 72.22 1k8o s THR 49 CO 0.02 0.49 0.39 -0.63 -0.54 0.00 0.00 174.62 174.35 1k8o s ILE 50 N 0.74 5.23 0.19 2.99 -1.09 -0.44 -5.02 121.20 123.81 1k8o s ILE 50 Ca -0.11 -0.99 -0.11 0.00 -2.23 0.00 0.00 60.65 57.22 1k8o s ILE 50 Cb -0.16 -4.10 -0.07 0.00 -1.58 0.00 0.00 42.46 36.55 1k8o s ILE 50 CO 0.02 -0.54 0.54 0.42 -1.23 0.00 0.00 174.94 174.14 1k8o s THR 51 N 1.67 4.92 -0.02 2.92 -4.23 -1.26 -2.44 115.64 117.21 1k8o s THR 51 Ca 0.04 0.58 -0.20 0.00 -1.18 0.00 0.00 61.69 60.93 1k8o s THR 51 Cb -0.23 -3.66 -0.12 0.00 1.34 0.00 0.00 72.50 69.83 1k8o s THR 51 CO 0.07 0.06 0.86 0.28 -0.54 0.00 0.00 174.62 175.35 1k8o h SER 52 N 2.96 -0.52 0.00 3.99 0.02 -1.79 -3.45 113.55 114.76 1k8o h SER 52 Ca -0.48 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1k8o h SER 52 Cb 1.18 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1k8o h SER 52 CO 0.68 -0.10 0.00 -2.11 -1.14 0.00 0.00 176.83 174.16 1k8o n ARG 53 N -5.19 -1.23 -3.61 3.45 1.85 -1.25 -4.87 116.66 105.82 1k8o n ARG 53 Ca -0.09 0.31 0.00 0.00 -1.00 0.00 0.00 57.85 57.07 1k8o n ARG 53 Cb 0.27 -4.31 -0.01 0.00 -1.05 0.00 0.00 32.46 27.37 1k8o n ARG 53 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1k8o s TYR 54 N -1.38 -0.05 -0.27 2.89 2.02 -1.26 -4.90 117.35 114.40 1k8o s TYR 54 Ca 0.00 -0.02 -0.11 0.00 -0.37 0.00 0.00 57.07 56.57 1k8o s TYR 54 Cb 0.00 0.53 -0.05 0.00 -0.40 0.00 0.00 41.96 42.04 1k8o s TYR 54 CO 0.00 -0.20 0.18 0.34 -1.57 0.00 0.00 175.55 174.31 1k8o s ASP 55 N -2.74 6.05 0.13 2.29 -1.08 -1.26 -3.45 116.67 116.61 1k8o s ASP 55 Ca 0.13 0.03 -0.01 0.00 -0.52 0.00 0.00 52.55 52.19 1k8o s ASP 55 Cb 0.04 -2.12 -0.04 0.00 -1.46 0.00 0.00 42.92 39.34 1k8o s ASP 55 CO -0.04 -0.02 0.04 -0.83 0.52 0.00 0.00 175.17 174.84 1k8o s GLY 56 N 1.54 0.97 -0.28 2.66 0.00 -0.90 -4.69 107.32 106.63 1k8o s GLY 56 Ca 0.07 -1.46 -0.11 0.00 0.00 0.00 0.00 44.72 43.22 1k8o s GLY 56 CO 0.09 -1.38 0.19 0.14 0.00 0.00 0.00 173.10 172.14 1k8o s VAL 57 N -3.98 5.31 -0.24 1.40 1.01 -0.89 0.16 120.40 123.18 1k8o s VAL 57 Ca 0.22 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 1k8o s VAL 57 Cb 0.07 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1k8o s VAL 57 CO 0.01 0.26 0.21 -0.63 0.00 0.00 0.00 175.10 174.94 1k8o s ILE 58 N 1.72 5.33 -0.26 2.22 1.01 0.40 -1.45 121.20 130.17 1k8o s ILE 58 Ca 0.07 0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.94 1k8o s ILE 58 Cb -0.16 -3.54 -0.16 0.00 0.01 0.00 0.00 42.46 38.61 1k8o s ILE 58 CO 0.11 0.32 -0.23 1.17 0.00 0.00 0.00 174.94 176.31 1k8o n LYS 59 N 4.38 0.63 -3.86 2.79 4.81 -1.08 0.17 118.16 126.00 1k8o n LYS 59 Ca -0.14 0.21 -0.12 0.00 -0.87 0.00 0.00 58.31 57.39 1k8o n LYS 59 Cb 0.52 -1.53 -0.14 0.00 0.02 0.00 0.00 35.03 33.90 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 0.02 -0.37 1.64 0.00 -1.26 -0.74 119.74 116.51 1k8o s LYS 60 Ca -0.36 0.04 0.03 0.00 0.00 0.00 0.00 55.97 55.68 1k8o s LYS 60 Cb 0.11 -0.01 0.11 0.00 0.00 0.00 0.00 37.83 38.04 1k8o s LYS 60 CO 0.57 -0.02 0.11 -0.51 0.00 0.00 0.00 175.35 175.51 1k8o s LEU 61 N 0.10 3.95 0.13 2.77 1.43 -1.26 -3.80 118.68 122.00 1k8o s LEU 61 Ca -0.01 -2.24 -0.13 0.00 -1.03 0.00 0.00 54.13 50.72 1k8o s LEU 61 Cb -0.01 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1k8o s LEU 61 CO -0.00 -0.35 1.53 0.22 0.23 0.00 0.00 176.35 177.97 1k8o h TYR 62 N 7.43 0.91 -3.16 0.29 3.20 -1.98 -3.43 116.97 120.23 1k8o h TYR 62 Ca -0.06 -0.20 -0.64 0.00 3.14 0.00 0.00 58.73 60.96 1k8o h TYR 62 Cb 0.99 -0.22 -0.14 0.00 1.54 0.00 0.00 36.73 38.90 1k8o h TYR 62 CO 0.45 0.94 -0.56 0.71 -1.64 0.00 0.00 178.16 178.06 1k8o s TYR 63 N -4.75 3.30 0.16 -3.82 2.02 -1.26 -5.00 117.35 108.00 1k8o s TYR 63 Ca -0.12 0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 1k8o s TYR 63 Cb 0.10 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 1k8o s TYR 63 CO 0.83 0.36 0.06 0.09 -1.57 0.00 0.00 175.55 175.32 1k8o n ASN 64 N 2.85 1.97 0.02 2.29 4.13 -1.26 -4.92 115.26 120.34 1k8o n ASN 64 Ca -0.18 -1.63 0.22 0.00 1.68 0.00 0.00 54.58 54.67 1k8o n ASN 64 Cb 0.53 0.05 0.72 0.00 -1.54 0.00 0.00 39.78 39.54 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 -1.96 -1.10 115.31 119.73 1k8o h LEU 65 Ca -0.12 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.62 1k8o h LEU 65 Cb 0.39 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.09 1k8o h LEU 65 CO 0.19 0.00 -2.15 -0.67 -1.08 0.00 0.00 178.44 174.73 1k8o n ASP 66 N -3.79 0.09 -4.83 -0.43 2.03 -1.26 -3.74 116.55 104.63 1k8o n ASP 66 Ca 0.10 0.04 -0.33 0.00 0.52 0.00 0.00 54.79 55.13 1k8o n ASP 66 Cb 0.74 1.26 -0.05 0.00 -0.72 0.00 0.00 41.12 42.35 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 -5.18 6.69 -0.12 1.67 1.11 -0.42 -4.83 116.67 115.59 1k8o s ASP 67 Ca -0.09 1.64 -0.07 0.00 0.18 0.00 0.00 52.55 54.22 1k8o s ASP 67 Cb 0.09 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 1k8o s ASP 67 CO 0.86 -0.54 0.13 -0.63 1.18 0.00 0.00 175.17 176.17 1k8o s ILE 68 N -2.42 5.42 0.10 0.77 -1.09 -1.26 -2.60 121.20 120.12 1k8o s ILE 68 Ca 0.61 0.18 0.01 0.00 -2.23 0.00 0.00 60.65 59.21 1k8o s ILE 68 Cb -0.10 -3.36 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1k8o s ILE 68 CO 0.24 0.62 0.25 0.00 -1.23 0.00 0.00 174.94 174.81 1k8o s ALA 69 N -1.00 3.98 0.06 9.38 0.00 0.41 -4.89 121.76 129.70 1k8o s ALA 69 Ca 0.15 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.27 1k8o s ALA 69 Cb -0.12 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 1k8o s ALA 69 CO 0.04 0.72 -0.14 0.71 0.00 0.00 0.00 175.76 177.09 1k8o s TYR 70 N -1.60 1.18 0.20 0.00 2.02 -1.26 -2.93 117.35 114.95 1k8o s TYR 70 Ca 0.35 -0.43 -0.24 0.00 -0.37 0.00 0.00 57.07 56.38 1k8o s TYR 70 Cb -0.12 -0.68 -0.08 0.00 -0.40 0.00 0.00 41.96 40.68 1k8o s TYR 70 CO 0.28 0.04 0.78 0.08 -1.57 0.00 0.00 175.55 175.17 1k8o s VAL 71 N -1.16 4.40 0.00 0.71 1.01 -0.79 -3.77 120.40 120.78 1k8o s VAL 71 Ca -0.02 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.58 1k8o s VAL 71 Cb -0.09 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1k8o s VAL 71 CO 0.02 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1k8o n GLY 72 N 1.28 1.43 3.53 4.51 0.00 -1.26 -4.21 105.19 110.47 1k8o n GLY 72 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1k8o n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k8o s LYS 73 N 0.00 0.65 0.36 1.61 -2.85 -1.26 -5.14 119.74 113.11 1k8o s LYS 73 Ca 0.00 1.03 -0.28 0.00 -1.00 0.00 0.00 55.97 55.72 1k8o s LYS 73 Cb 0.00 0.17 -0.11 0.00 -2.06 0.00 0.00 37.83 35.83 1k8o s LYS 73 CO 0.00 -0.13 1.49 -2.30 0.10 0.00 0.00 175.35 174.50 1k8o n PRO 74 N 3.83 2.62 -0.03 1.78 -0.02 -1.26 -4.39 135.00 137.54 1k8o n PRO 74 Ca -0.19 0.92 0.07 0.00 -2.02 0.00 0.00 63.50 62.29 1k8o n PRO 74 Cb 0.57 -2.65 -0.16 0.00 -0.02 0.00 0.00 33.50 31.24 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 0.75 0.00 -4.02 2.45 -0.00 0.29 -4.91 117.00 111.56 1k8o n LEU 75 Ca 0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.96 1k8o n LEU 75 Cb 0.38 0.09 -0.10 0.00 -0.00 0.00 0.00 43.42 43.78 1k8o n LEU 75 CO 0.64 0.09 -0.35 0.54 -0.00 0.00 0.00 177.39 178.30 1k8o s VAL 76 N -3.31 0.16 -0.16 1.47 0.11 -1.08 -3.26 120.40 114.34 1k8o s VAL 76 Ca -0.08 -1.30 0.02 0.00 -2.93 0.00 0.00 61.98 57.69 1k8o s VAL 76 Cb 0.12 -0.83 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1k8o s VAL 76 CO 0.87 -0.71 -0.21 -1.81 -3.33 0.00 0.00 175.10 169.91 1k8o s ASP 77 N -2.11 3.12 0.03 3.54 1.01 -1.25 -1.04 116.67 119.97 1k8o s ASP 77 Ca -0.06 -0.63 0.03 0.00 0.71 0.00 0.00 52.55 52.60 1k8o s ASP 77 Cb -0.02 -1.46 -0.02 0.00 1.01 0.00 0.00 42.92 42.43 1k8o s ASP 77 CO -0.05 0.04 -0.08 -0.63 0.21 0.00 0.00 175.17 174.66 1k8o s ILE 78 N 1.04 0.63 -0.34 0.77 1.09 -0.04 -2.65 121.20 121.72 1k8o s ILE 78 Ca -0.01 -0.77 -0.14 0.00 -1.10 0.00 0.00 60.65 58.63 1k8o s ILE 78 Cb -0.14 -0.62 -0.02 0.00 -1.06 0.00 0.00 42.46 40.62 1k8o s ILE 78 CO -0.07 -0.12 0.28 -0.70 -0.10 0.00 0.00 174.94 174.23 1k8o s GLU 79 N -0.98 3.54 0.04 2.79 -6.30 -0.53 0.21 118.70 117.48 1k8o s GLU 79 Ca -0.03 -0.56 -0.01 0.00 -2.50 0.00 0.00 54.97 51.87 1k8o s GLU 79 Cb -0.07 -3.80 -0.03 0.00 0.00 0.00 0.00 34.13 30.23 1k8o s GLU 79 CO 0.00 -0.46 -0.02 0.95 0.02 0.00 0.00 175.26 175.76 1k8o s THR 80 N 1.82 0.19 0.26 -1.70 -4.23 -1.26 -2.09 115.64 108.63 1k8o s THR 80 Ca 0.08 -1.57 -0.31 0.00 -1.18 0.00 0.00 61.69 58.71 1k8o s THR 80 Cb -0.17 -1.23 -0.13 0.00 1.34 0.00 0.00 72.50 72.32 1k8o s THR 80 CO 0.11 -0.87 1.47 -0.62 -0.54 0.00 0.00 174.62 174.17 1k8o n GLU 81 N 0.44 2.26 -1.22 3.99 1.02 -1.26 -4.73 120.64 121.13 1k8o n GLU 81 Ca -0.16 0.80 -0.57 0.00 -0.02 0.00 0.00 57.16 57.21 1k8o n GLU 81 Cb 0.60 -2.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.41 1k8o n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k8o n ALA 82 N 1.98 0.05 -3.57 0.62 0.00 -1.26 -4.92 120.51 113.41 1k8o n ALA 82 Ca 0.11 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 1k8o n ALA 82 Cb 0.33 -1.94 -0.17 0.00 0.00 0.00 0.00 19.45 17.68 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 5.33 1.88 0.49 0.00 1.02 -1.26 -5.01 118.68 121.13 1k8o s LEU 83 Ca 1.11 -0.48 0.35 0.00 0.02 0.00 0.00 54.13 55.13 1k8o s LEU 83 Cb -1.41 -1.21 1.49 0.00 0.02 0.00 0.00 46.19 45.08 1k8o s LEU 83 CO 0.64 0.06 1.69 0.50 0.02 0.00 0.00 176.35 179.25 1k8o h LYS 84 N 7.24 0.09 -0.75 1.70 3.11 -1.91 0.21 116.57 126.27 1k8o h LYS 84 Ca -0.30 -0.01 0.16 0.00 -2.81 0.00 0.00 60.65 57.70 1k8o h LYS 84 Cb 1.19 -0.02 -0.11 0.00 -1.00 0.00 0.00 32.23 32.29 1k8o h LYS 84 CO 0.50 0.06 0.22 0.22 -2.81 0.00 0.00 179.45 177.64 1k8o h ASP 85 N 0.09 0.09 -0.15 4.20 3.58 -1.99 -1.84 116.42 120.41 1k8o h ASP 85 Ca 0.73 0.14 0.00 0.00 0.42 0.00 0.00 57.03 58.32 1k8o h ASP 85 Cb 2.59 0.17 0.00 0.00 1.72 0.00 0.00 39.33 43.80 1k8o h ASP 85 CO -0.18 -0.01 0.00 -0.11 -2.88 0.00 0.00 179.24 176.06 1k8o n LEU 86 N -5.12 2.87 0.00 2.28 -0.00 0.55 -5.20 117.00 112.38 1k8o n LEU 86 Ca 0.15 -2.64 0.00 0.00 -0.00 0.00 0.00 56.01 53.52 1k8o n LEU 86 Cb 0.46 -0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 1k8o n LEU 86 CO 0.14 0.66 0.00 -0.62 -0.00 0.00 0.00 177.39 177.57