#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 1.57 3.22 3.17 0.00 -1.26 -5.13 105.19 106.77 1k8o n GLY 2 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.12 0.96 0.02 1.61 -1.52 -1.26 -5.16 119.66 114.20 1k8o s GLN 3 Ca 0.00 -1.16 0.01 0.00 -1.95 0.00 0.00 55.36 52.26 1k8o s GLN 3 Cb 0.00 -0.87 -0.02 0.00 -0.22 0.00 0.00 33.01 31.90 1k8o s GLN 3 CO 0.00 0.17 -0.06 0.14 -0.25 0.00 0.00 175.29 175.30 1k8o s VAL 4 N -1.92 0.39 -0.14 1.09 -7.23 -1.26 -4.81 120.40 106.52 1k8o s VAL 4 Ca 0.06 -0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 59.35 1k8o s VAL 4 Cb -0.06 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.40 1k8o s VAL 4 CO 0.03 -0.25 0.27 0.68 -0.31 0.00 0.00 175.10 175.51 1k8o s VAL 5 N -0.98 5.31 0.03 1.32 -7.23 0.57 -4.73 120.40 114.70 1k8o s VAL 5 Ca -0.07 0.50 -0.05 0.00 -1.81 0.00 0.00 61.98 60.55 1k8o s VAL 5 Cb -0.07 -3.59 -0.05 0.00 0.56 0.00 0.00 36.38 33.23 1k8o s VAL 5 CO -0.00 0.45 0.26 0.00 -0.31 0.00 0.00 175.10 175.50 1k8o s GLN 6 N 0.03 3.53 0.01 4.82 0.00 -1.26 0.16 119.66 126.96 1k8o s GLN 6 Ca 0.16 -0.18 0.00 0.00 -0.00 0.00 0.00 55.36 55.34 1k8o s GLN 6 Cb -0.13 -3.05 -0.04 0.00 0.00 0.00 0.00 33.01 29.80 1k8o s GLN 6 CO 0.05 0.62 0.08 0.12 0.00 0.00 0.00 175.29 176.15 1k8o s PHE 7 N -1.38 3.26 0.04 9.60 5.36 0.16 -4.91 117.98 130.10 1k8o s PHE 7 Ca 0.30 0.18 0.06 0.00 -0.96 0.00 0.00 56.93 56.51 1k8o s PHE 7 Cb -0.13 -1.71 -0.02 0.00 -0.34 0.00 0.00 43.02 40.81 1k8o s PHE 7 CO 0.19 0.54 -0.17 -1.59 -1.46 0.00 0.00 175.22 172.74 1k8o s LYS 8 N -1.83 1.10 -0.42 10.12 0.00 -1.26 0.08 119.74 127.53 1k8o s LYS 8 Ca 0.24 -0.82 -0.44 0.00 0.00 0.00 0.00 55.97 54.95 1k8o s LYS 8 Cb -0.12 -1.15 -0.18 0.00 0.00 0.00 0.00 37.83 36.38 1k8o s LYS 8 CO 0.15 0.29 1.75 -0.11 0.00 0.00 0.00 175.35 177.43 1k8o n LEU 9 N 1.89 1.60 -3.96 2.77 -0.00 -1.26 -4.92 117.00 113.12 1k8o n LEU 9 Ca -0.18 1.04 -0.31 0.00 -0.00 0.00 0.00 56.01 56.57 1k8o n LEU 9 Cb 0.54 -0.99 -0.15 0.00 -0.00 0.00 0.00 43.42 42.82 1k8o n LEU 9 CO 0.23 -0.69 -0.41 -0.94 -0.00 0.00 0.00 177.39 175.58 1k8o s SER 10 N 3.83 4.08 0.00 1.96 1.04 -1.26 -3.98 113.70 119.37 1k8o s SER 10 Ca 1.05 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1k8o s SER 10 Cb -1.32 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1k8o s SER 10 CO 0.73 -0.26 0.00 -0.67 0.98 0.00 0.00 173.24 174.02 1k8o n ASP 11 N 4.59 0.00 -4.29 7.02 -0.08 -1.26 -4.88 116.55 117.65 1k8o n ASP 11 Ca -0.10 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 52.90 1k8o n ASP 11 Cb 0.43 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.82 1k8o n ASP 11 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1k8o s ILE 12 N -1.03 0.72 0.19 5.18 -0.00 -1.26 -4.89 121.20 120.11 1k8o s ILE 12 Ca 0.00 -2.00 -0.08 0.00 -0.00 0.00 0.00 60.65 58.57 1k8o s ILE 12 Cb 0.00 -2.24 -0.07 0.00 -0.00 0.00 0.00 42.46 40.16 1k8o s ILE 12 CO 0.00 0.00 0.48 -0.83 -0.00 0.00 0.00 174.94 174.59 1k8o s GLY 13 N -3.71 2.27 -0.75 6.27 0.00 -1.26 -4.65 107.32 105.49 1k8o s GLY 13 Ca 0.16 -0.38 -0.26 0.00 0.00 0.00 0.00 44.72 44.25 1k8o s GLY 13 CO 0.11 -0.26 2.29 1.85 0.00 0.00 0.00 173.10 177.09 1k8o s GLU 14 N -2.73 1.91 0.00 2.90 2.56 -1.26 -2.87 118.70 119.22 1k8o s GLU 14 Ca 0.45 0.51 0.00 0.00 0.00 0.00 0.00 54.97 55.92 1k8o s GLU 14 Cb -0.12 -4.78 0.00 0.00 2.00 0.00 0.00 34.13 31.23 1k8o s GLU 14 CO 0.22 -3.97 0.00 0.41 -0.56 0.00 0.00 175.26 171.36 1k8o n GLY 15 N 6.63 1.27 0.94 -1.50 0.00 -1.26 -5.08 105.19 106.19 1k8o n GLY 15 Ca 0.42 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.40 -0.61 -5.35 -1.14 -4.92 119.36 105.94 1k8o n ILE 16 Ca 0.00 -0.03 -0.36 0.00 -0.27 0.00 0.00 62.75 62.08 1k8o n ILE 16 Cb 0.00 -0.47 0.07 0.00 -1.74 0.00 0.00 39.64 37.50 1k8o n ILE 16 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1k8o n ARG 17 N -2.96 0.53 -2.97 6.28 5.12 -1.26 -4.93 116.66 116.47 1k8o n ARG 17 Ca 0.04 0.23 -0.19 0.00 -1.93 0.00 0.00 57.85 56.00 1k8o n ARG 17 Cb 0.17 -2.05 0.04 0.00 -1.16 0.00 0.00 32.46 29.46 1k8o n ARG 17 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1k8o s GLU 18 N -2.93 2.53 0.10 5.56 8.01 -1.26 -4.80 118.70 125.91 1k8o s GLU 18 Ca 0.72 -1.36 0.09 0.00 0.01 0.00 0.00 54.97 54.42 1k8o s GLU 18 Cb -0.37 -2.67 -0.03 0.00 -4.31 0.00 0.00 34.13 26.75 1k8o s GLU 18 CO 0.52 -0.61 -0.23 0.54 0.01 0.00 0.00 175.26 175.49 1k8o s VAL 19 N -2.56 1.86 0.22 2.63 0.11 -1.12 -4.93 120.40 116.62 1k8o s VAL 19 Ca 0.59 -1.54 0.02 0.00 -2.93 0.00 0.00 61.98 58.12 1k8o s VAL 19 Cb -0.08 -1.66 -0.03 0.00 -1.53 0.00 0.00 36.38 33.07 1k8o s VAL 19 CO 0.37 0.04 0.38 -0.89 -3.33 0.00 0.00 175.10 171.66 1k8o s THR 20 N -1.06 5.24 -0.05 5.04 2.01 -1.26 -0.17 115.64 125.38 1k8o s THR 20 Ca 0.09 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 1k8o s THR 20 Cb -0.10 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1k8o s THR 20 CO 0.04 -0.26 1.00 -0.69 -0.69 0.00 0.00 174.62 174.02 1k8o s VAL 21 N -1.94 4.80 -0.13 3.82 1.01 -1.08 -3.73 120.40 123.16 1k8o s VAL 21 Ca 0.36 2.03 0.18 0.00 0.00 0.00 0.00 61.98 64.55 1k8o s VAL 21 Cb -0.10 -4.30 -0.23 0.00 0.00 0.00 0.00 36.38 31.75 1k8o s VAL 21 CO 0.30 0.09 0.46 1.17 0.00 0.00 0.00 175.10 177.11 1k8o n LYS 22 N 4.42 0.66 -3.87 2.72 3.00 0.43 -4.05 118.16 121.46 1k8o n LYS 22 Ca 0.07 0.07 -0.12 0.00 -0.00 0.00 0.00 58.31 58.33 1k8o n LYS 22 Cb 0.50 -1.65 -0.14 0.00 0.00 0.00 0.00 35.03 33.74 1k8o n LYS 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1k8o s GLU 23 N -2.83 0.01 -0.11 1.64 2.56 -0.54 -4.96 118.70 114.47 1k8o s GLU 23 Ca -0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.97 54.88 1k8o s GLU 23 Cb 0.09 0.00 0.04 0.00 2.00 0.00 0.00 34.13 36.26 1k8o s GLU 23 CO 0.84 -0.00 0.05 -1.58 -0.56 0.00 0.00 175.26 174.00 1k8o s TRP 24 N 0.01 0.42 -0.05 5.30 0.52 -1.26 -1.08 118.94 122.80 1k8o s TRP 24 Ca -0.00 -0.19 0.06 0.00 0.02 0.00 0.00 56.10 55.98 1k8o s TRP 24 Cb -0.00 -0.72 0.09 0.00 -1.15 0.00 0.00 33.47 31.69 1k8o s TRP 24 CO -0.00 -0.38 1.05 0.66 0.02 0.00 0.00 176.95 178.29 1k8o n TYR 25 N 5.21 0.01 -4.09 -1.98 4.02 -1.09 -5.04 117.16 114.20 1k8o n TYR 25 Ca -0.06 -0.64 -0.09 0.00 -0.01 0.00 0.00 57.90 57.10 1k8o n TYR 25 Cb 0.49 -0.08 -0.10 0.00 -0.02 0.00 0.00 39.34 39.64 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 -1.54 0.14 0.14 -0.72 -7.23 -1.25 -4.97 120.40 104.98 1k8o s VAL 26 Ca 0.09 -1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 58.45 1k8o s VAL 26 Cb 0.08 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 1k8o s VAL 26 CO 0.01 -0.66 0.13 -0.54 -0.31 0.00 0.00 175.10 173.74 1k8o s LYS 27 N -3.98 1.01 0.23 4.82 1.02 -1.26 -5.06 119.74 116.52 1k8o s LYS 27 Ca 0.16 -1.36 -0.31 0.00 0.02 0.00 0.00 55.97 54.48 1k8o s LYS 27 Cb 0.07 0.29 -0.14 0.00 -0.52 0.00 0.00 37.83 37.53 1k8o s LYS 27 CO -0.04 -0.32 1.23 0.39 -0.92 0.00 0.00 175.35 175.70 1k8o n GLU 28 N -0.14 1.59 -0.89 1.68 4.71 -1.26 -0.12 120.64 126.21 1k8o n GLU 28 Ca -0.06 0.56 0.00 0.00 -0.01 0.00 0.00 57.16 57.66 1k8o n GLU 28 Cb 0.63 -2.10 0.00 0.00 -1.01 0.00 0.00 31.44 28.96 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 1.83 0.54 3.93 0.62 0.00 0.46 -4.90 105.19 107.67 1k8o n GLY 29 Ca 0.12 0.00 -0.27 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 -2.42 6.37 -0.02 1.61 -1.08 0.83 -4.81 116.67 117.15 1k8o s ASP 30 Ca 0.00 0.31 -0.03 0.00 -0.52 0.00 0.00 52.55 52.31 1k8o s ASP 30 Cb 0.00 -1.97 -0.04 0.00 -1.46 0.00 0.00 42.92 39.45 1k8o s ASP 30 CO 0.00 0.00 0.17 -0.89 0.52 0.00 0.00 175.17 174.97 1k8o s THR 31 N -1.80 5.37 0.40 1.71 2.01 -1.26 0.78 115.64 122.85 1k8o s THR 31 Ca 0.37 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 62.29 1k8o s THR 31 Cb -0.11 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 1k8o s THR 31 CO 0.29 0.35 0.43 0.68 -0.69 0.00 0.00 174.62 175.67 1k8o s VAL 32 N -1.29 2.92 0.11 3.82 -7.23 0.44 -4.91 120.40 114.26 1k8o s VAL 32 Ca 0.26 -1.24 0.01 0.00 -1.81 0.00 0.00 61.98 59.20 1k8o s VAL 32 Cb -0.13 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.73 1k8o s VAL 32 CO 0.17 -0.03 -0.02 -0.44 -0.31 0.00 0.00 175.10 174.47 1k8o s SER 33 N -4.18 0.85 0.32 4.85 0.01 -1.15 -1.63 113.70 112.77 1k8o s SER 33 Ca 0.49 -1.08 0.08 0.00 1.31 0.00 0.00 55.95 56.75 1k8o s SER 33 Cb -0.06 0.16 0.80 0.00 0.21 0.00 0.00 66.02 67.13 1k8o s SER 33 CO 0.29 -0.57 1.77 -0.61 0.41 0.00 0.00 173.24 174.54 1k8o h GLN 34 N 2.93 0.68 0.00 12.44 4.15 -1.78 0.32 115.11 133.85 1k8o h GLN 34 Ca -0.35 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.03 1k8o h GLN 34 Cb 1.17 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.71 1k8o h GLN 34 CO 0.64 0.45 -1.29 1.97 -1.93 0.00 0.00 178.83 178.67 1k8o n PHE 35 N -4.77 0.52 -3.05 3.99 1.16 -1.26 -3.97 117.46 110.09 1k8o n PHE 35 Ca 0.24 0.15 -0.45 0.00 -1.87 0.00 0.00 57.45 55.53 1k8o n PHE 35 Cb 0.62 -0.70 -0.02 0.00 -1.61 0.00 0.00 39.48 37.77 1k8o n PHE 35 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1k8o s ASP 36 N -4.76 6.76 0.91 5.98 1.01 0.10 -5.03 116.67 121.64 1k8o s ASP 36 Ca -0.02 -2.42 -0.11 0.00 0.71 0.00 0.00 52.55 50.72 1k8o s ASP 36 Cb 0.12 -2.34 0.13 0.00 1.01 0.00 0.00 42.92 41.84 1k8o s ASP 36 CO 0.83 -0.86 1.09 -1.20 0.21 0.00 0.00 175.17 175.24 1k8o n SER 37 N 5.60 0.22 0.00 0.27 7.64 -1.26 -2.91 113.62 123.18 1k8o n SER 37 Ca 0.23 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.55 1k8o n SER 37 Cb 0.47 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1k8o n SER 37 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1k8o n ILE 38 N -4.08 0.00 -3.90 0.44 5.41 -0.88 -4.31 119.36 112.03 1k8o n ILE 38 Ca 0.12 0.48 -0.11 0.00 1.00 0.00 0.00 62.75 64.23 1k8o n ILE 38 Cb 0.52 -1.43 -0.13 0.00 -0.71 0.00 0.00 39.64 37.89 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 -0.47 3.08 0.02 0.00 2.02 -0.25 -1.98 118.70 121.13 1k8o s GLU 40 Ca -0.05 -0.82 0.07 0.00 0.02 0.00 0.00 54.97 54.19 1k8o s GLU 40 Cb -0.03 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 1k8o s GLU 40 CO -0.00 -0.00 -0.21 0.14 0.02 0.00 0.00 175.26 175.20 1k8o s VAL 41 N 0.81 2.53 -0.03 2.63 -7.23 -0.53 0.16 120.40 118.75 1k8o s VAL 41 Ca -0.07 -1.16 -0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1k8o s VAL 41 Cb -0.15 -2.01 0.03 0.00 0.56 0.00 0.00 36.38 34.81 1k8o s VAL 41 CO -0.01 0.42 0.04 -1.10 -0.31 0.00 0.00 175.10 174.14 1k8o s GLN 42 N -1.14 -0.05 0.11 4.82 -0.21 -1.24 -1.27 119.66 120.68 1k8o s GLN 42 Ca 0.13 0.25 0.05 0.00 0.02 0.00 0.00 55.36 55.81 1k8o s GLN 42 Cb -0.10 -0.32 -0.04 0.00 1.00 0.00 0.00 33.01 33.55 1k8o s GLN 42 CO 0.03 -0.22 -0.13 -1.54 -2.12 0.00 0.00 175.29 171.31 1k8o s SER 43 N 1.39 1.80 0.52 5.90 1.04 -1.02 -4.69 113.70 118.65 1k8o s SER 43 Ca -0.05 -0.80 0.44 0.00 0.48 0.00 0.00 55.95 56.02 1k8o s SER 43 Cb -0.13 -0.04 1.66 0.00 0.10 0.00 0.00 66.02 67.61 1k8o s SER 43 CO -0.03 -0.18 1.59 -2.24 0.98 0.00 0.00 173.24 173.36 1k8o h ASP 44 N 3.56 0.06 0.00 7.02 3.04 -2.01 -1.37 116.42 126.72 1k8o h ASP 44 Ca -0.39 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 1k8o h ASP 44 Cb 1.19 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 1k8o h ASP 44 CO 0.51 -0.07 0.00 1.17 -2.04 0.00 0.00 179.24 178.81 1k8o n LYS 45 N -4.18 0.00 -3.82 4.15 0.00 -1.26 -4.97 118.16 108.08 1k8o n LYS 45 Ca 0.42 0.30 -0.09 0.00 0.00 0.00 0.00 58.31 58.94 1k8o n LYS 45 Cb 1.85 -1.21 -0.06 0.00 0.00 0.00 0.00 35.03 35.60 1k8o n LYS 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k8o s ALA 46 N -2.75 -0.37 -0.24 3.14 0.00 -0.52 -5.15 121.76 115.88 1k8o s ALA 46 Ca 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 1k8o s ALA 46 Cb 0.00 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 1k8o s ALA 46 CO 0.00 -0.58 0.19 -1.12 0.00 0.00 0.00 175.76 174.26 1k8o s SER 47 N -2.87 6.13 -0.05 0.00 0.01 -1.26 -2.44 113.70 113.22 1k8o s SER 47 Ca 0.07 0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.50 1k8o s SER 47 Cb 0.04 -2.12 -0.00 0.00 0.21 0.00 0.00 66.02 64.14 1k8o s SER 47 CO -0.09 0.03 -0.17 -0.69 0.41 0.00 0.00 173.24 172.73 1k8o s VAL 48 N 1.22 1.45 -0.11 3.43 1.01 -0.39 -5.02 120.40 121.99 1k8o s VAL 48 Ca 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1k8o s VAL 48 Cb -0.14 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1k8o s VAL 48 CO 0.06 0.42 -0.15 0.42 0.00 0.00 0.00 175.10 175.85 1k8o s THR 49 N 0.17 2.87 -0.46 3.92 -4.23 -1.26 -1.46 115.64 115.20 1k8o s THR 49 Ca -0.07 -0.74 -0.16 0.00 -1.18 0.00 0.00 61.69 59.54 1k8o s THR 49 Cb -0.13 -2.17 0.05 0.00 1.34 0.00 0.00 72.50 71.59 1k8o s THR 49 CO 0.03 0.54 0.40 -0.63 -0.54 0.00 0.00 174.62 174.42 1k8o s ILE 50 N 0.14 5.19 0.68 2.99 -1.09 -0.84 -5.00 121.20 123.27 1k8o s ILE 50 Ca -0.08 -0.84 0.02 0.00 -2.23 0.00 0.00 60.65 57.53 1k8o s ILE 50 Cb -0.15 -4.09 0.13 0.00 -1.58 0.00 0.00 42.46 36.77 1k8o s ILE 50 CO 0.05 -0.52 0.93 0.35 -1.23 0.00 0.00 174.94 174.53 1k8o n THR 51 N 5.25 0.00 -0.01 2.92 -2.24 -1.26 -2.07 114.28 116.87 1k8o n THR 51 Ca -0.11 -1.65 -0.01 0.00 -2.27 0.00 0.00 64.05 60.01 1k8o n THR 51 Cb 0.45 -0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.75 4.36 -0.23 3.42 2.88 -1.26 -4.69 113.62 115.35 1k8o n SER 52 Ca 0.16 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.67 1k8o n SER 52 Cb 0.58 0.62 -0.01 0.00 -0.75 0.00 0.00 64.21 64.66 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 -2.04 -1.76 -3.73 -1.46 5.12 -1.25 -4.83 116.66 106.70 1k8o n ARG 53 Ca -0.04 0.57 0.03 0.00 -1.93 0.00 0.00 57.85 56.48 1k8o n ARG 53 Cb 0.53 -4.94 0.00 0.00 -1.16 0.00 0.00 32.46 26.89 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 -1.33 -0.01 -0.30 -1.55 2.02 -1.26 -4.81 117.35 110.11 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 0.00 175.55 173.67 1k8o s ASP 55 N -3.29 6.23 0.24 2.29 1.11 -1.26 -2.35 116.67 119.65 1k8o s ASP 55 Ca 0.20 0.10 0.05 0.00 0.18 0.00 0.00 52.55 53.08 1k8o s ASP 55 Cb 0.04 -2.21 -0.05 0.00 1.07 0.00 0.00 42.92 41.77 1k8o s ASP 55 CO -0.04 -0.25 -0.04 -0.83 1.18 0.00 0.00 175.17 175.20 1k8o s GLY 56 N 1.68 1.63 -0.29 0.21 0.00 -0.65 -4.79 107.32 105.12 1k8o s GLY 56 Ca 0.14 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 42.95 1k8o s GLY 56 CO 0.11 -1.73 0.19 0.14 0.00 0.00 0.00 173.10 171.80 1k8o s VAL 57 N -3.23 5.22 -0.26 1.40 1.01 -0.91 0.17 120.40 123.80 1k8o s VAL 57 Ca 0.28 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 1k8o s VAL 57 Cb 0.04 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1k8o s VAL 57 CO 0.09 0.21 0.17 -0.63 0.00 0.00 0.00 175.10 174.94 1k8o s ILE 58 N 1.74 5.31 -0.25 2.22 1.01 0.23 -1.14 121.20 130.31 1k8o s ILE 58 Ca 0.07 0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.88 1k8o s ILE 58 Cb -0.16 -3.50 -0.17 0.00 0.01 0.00 0.00 42.46 38.64 1k8o s ILE 58 CO 0.10 0.30 -0.21 1.17 0.00 0.00 0.00 174.94 176.31 1k8o n LYS 59 N 4.65 0.65 -4.10 2.79 4.81 -1.07 0.17 118.16 126.05 1k8o n LYS 59 Ca -0.15 0.17 -0.17 0.00 -0.87 0.00 0.00 58.31 57.30 1k8o n LYS 59 Cb 0.52 -1.53 -0.15 0.00 0.02 0.00 0.00 35.03 33.89 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 0.47 -0.05 1.64 3.01 -1.26 -1.93 119.74 119.10 1k8o s LYS 60 Ca -0.35 -0.11 0.00 0.00 -1.01 0.00 0.00 55.97 54.51 1k8o s LYS 60 Cb 0.10 -0.50 0.03 0.00 -1.01 0.00 0.00 37.83 36.44 1k8o s LYS 60 CO 0.60 0.02 -0.01 -0.51 0.51 0.00 0.00 175.35 175.95 1k8o s LEU 61 N 0.34 1.06 -0.14 3.17 1.43 -1.26 -3.96 118.68 119.31 1k8o s LEU 61 Ca -0.04 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1k8o s LEU 61 Cb -0.07 -0.36 -0.11 0.00 0.03 0.00 0.00 46.19 45.68 1k8o s LEU 61 CO -0.00 -0.11 -0.08 0.00 0.23 0.00 0.00 176.35 176.39 1k8o n TYR 62 N 4.38 0.00 -3.34 0.29 4.19 -1.26 -4.86 117.16 116.56 1k8o n TYR 62 Ca -0.20 0.00 -0.38 0.00 3.31 0.00 0.00 57.90 60.62 1k8o n TYR 62 Cb 0.50 -0.58 -0.06 0.00 0.49 0.00 0.00 39.34 39.70 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 -2.29 3.73 0.17 2.98 2.02 -1.26 -5.00 117.35 117.69 1k8o s TYR 63 Ca -0.15 1.14 0.00 0.00 -0.37 0.00 0.00 57.07 57.69 1k8o s TYR 63 Cb 0.05 -2.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.15 1k8o s TYR 63 CO 0.39 0.52 0.02 0.09 -1.57 0.00 0.00 175.55 175.01 1k8o n ASN 64 N 2.12 2.30 0.33 2.29 4.13 -1.26 -4.94 115.26 120.23 1k8o n ASN 64 Ca -0.11 -1.71 0.16 0.00 1.68 0.00 0.00 54.58 54.61 1k8o n ASN 64 Cb 0.51 0.09 0.84 0.00 -1.54 0.00 0.00 39.78 39.69 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 -1.92 -1.92 115.31 118.25 1k8o h LEU 65 Ca -0.13 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1k8o h LEU 65 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1k8o h LEU 65 CO 0.22 0.00 -1.78 0.47 0.09 0.00 0.00 178.44 177.44 1k8o n ASP 66 N -2.92 1.85 -4.82 -0.43 8.00 -1.26 -4.02 116.55 112.95 1k8o n ASP 66 Ca -0.02 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.15 1k8o n ASP 66 Cb 0.37 1.12 -0.02 0.00 -0.02 0.00 0.00 41.12 42.57 1k8o n ASP 66 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1k8o s ASP 67 N -4.20 6.23 -0.04 -2.24 1.01 -0.72 -4.81 116.67 111.91 1k8o s ASP 67 Ca -0.06 1.75 -0.01 0.00 0.71 0.00 0.00 52.55 54.94 1k8o s ASP 67 Cb 0.06 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1k8o s ASP 67 CO 0.54 -0.85 0.04 -0.63 0.21 0.00 0.00 175.17 174.48 1k8o s ILE 68 N -2.40 4.54 0.20 0.77 -1.09 -1.26 -2.62 121.20 119.35 1k8o s ILE 68 Ca 0.63 -0.35 0.09 0.00 -2.23 0.00 0.00 60.65 58.79 1k8o s ILE 68 Cb -0.14 -3.01 -0.04 0.00 -1.58 0.00 0.00 42.46 37.69 1k8o s ILE 68 CO 0.30 0.45 -0.08 0.00 -1.23 0.00 0.00 174.94 174.39 1k8o s ALA 69 N -1.06 2.98 -0.01 9.38 0.00 0.76 -4.92 121.76 128.88 1k8o s ALA 69 Ca 0.19 -1.53 0.04 0.00 0.00 0.00 0.00 51.96 50.66 1k8o s ALA 69 Cb -0.12 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1k8o s ALA 69 CO 0.09 0.41 -0.13 0.71 0.00 0.00 0.00 175.76 176.85 1k8o s TYR 70 N -1.88 2.73 0.11 0.00 1.51 -1.26 -2.79 117.35 115.77 1k8o s TYR 70 Ca 0.27 -0.14 -0.27 0.00 -1.01 0.00 0.00 57.07 55.92 1k8o s TYR 70 Cb -0.08 -1.59 -0.07 0.00 -0.11 0.00 0.00 41.96 40.12 1k8o s TYR 70 CO 0.16 0.26 0.83 0.54 -1.11 0.00 0.00 175.55 176.23 1k8o s VAL 71 N -0.86 4.52 0.00 0.71 0.11 -1.26 -3.99 120.40 119.64 1k8o s VAL 71 Ca 0.14 1.79 0.00 0.00 -2.93 0.00 0.00 61.98 60.98 1k8o s VAL 71 Cb -0.11 -4.19 0.00 0.00 -1.53 0.00 0.00 36.38 30.56 1k8o s VAL 71 CO 0.04 0.41 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 1k8o n GLY 72 N 2.07 2.09 2.84 6.54 0.00 -1.26 -4.01 105.19 113.45 1k8o n GLY 72 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.49 0.72 1.61 2.47 -1.26 -5.11 119.74 118.67 1k8o s LYS 73 Ca 0.00 0.02 -0.15 0.00 -1.56 0.00 0.00 55.97 54.27 1k8o s LYS 73 Cb 0.00 -0.63 0.03 0.00 -1.46 0.00 0.00 37.83 35.77 1k8o s LYS 73 CO 0.00 -0.13 1.23 -2.14 0.16 0.00 0.00 175.35 174.47 1k8o s PRO 74 N 1.05 2.16 -0.00 4.03 0.02 -1.26 -4.16 135.00 136.83 1k8o s PRO 74 Ca -0.09 1.83 0.00 0.00 0.02 0.00 0.00 61.00 62.75 1k8o s PRO 74 Cb -0.14 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.55 1k8o s PRO 74 CO -0.01 -1.84 0.00 1.47 -0.33 0.00 0.00 177.00 176.29 1k8o n LEU 75 N -2.62 0.00 -3.92 -5.54 -0.00 0.11 -4.90 117.00 100.13 1k8o n LEU 75 Ca 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.05 1k8o n LEU 75 Cb 0.50 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.80 1k8o n LEU 75 CO 0.47 0.00 -0.34 0.54 -0.00 0.00 0.00 177.39 178.06 1k8o s VAL 76 N -2.01 0.06 -0.21 1.47 0.11 -1.10 -4.38 120.40 114.34 1k8o s VAL 76 Ca -0.00 -0.51 -0.10 0.00 -2.93 0.00 0.00 61.98 58.44 1k8o s VAL 76 Cb 0.00 -0.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.63 1k8o s VAL 76 CO 0.01 -0.28 0.14 -1.81 -3.33 0.00 0.00 175.10 169.83 1k8o s ASP 77 N -0.83 6.19 0.01 3.54 1.11 -1.25 0.35 116.67 125.79 1k8o s ASP 77 Ca -0.09 0.21 0.02 0.00 0.18 0.00 0.00 52.55 52.86 1k8o s ASP 77 Cb -0.06 -2.10 -0.01 0.00 1.07 0.00 0.00 42.92 41.83 1k8o s ASP 77 CO -0.00 0.15 -0.05 -0.63 1.18 0.00 0.00 175.17 175.81 1k8o s ILE 78 N 0.55 0.39 -0.35 0.77 1.09 0.43 -2.61 121.20 121.48 1k8o s ILE 78 Ca 0.08 -0.48 -0.15 0.00 -1.10 0.00 0.00 60.65 59.00 1k8o s ILE 78 Cb -0.12 -0.38 -0.01 0.00 -1.06 0.00 0.00 42.46 40.89 1k8o s ILE 78 CO -0.00 -0.07 0.33 -0.70 -0.10 0.00 0.00 174.94 174.39 1k8o s GLU 79 N -0.60 3.51 0.05 2.79 2.12 -0.30 0.21 118.70 126.48 1k8o s GLU 79 Ca -0.03 -0.52 -0.01 0.00 0.36 0.00 0.00 54.97 54.78 1k8o s GLU 79 Cb -0.05 -3.82 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 1k8o s GLU 79 CO -0.00 -0.52 -0.03 0.95 -0.54 0.00 0.00 175.26 175.12 1k8o s THR 80 N 1.92 0.22 0.71 -1.70 -4.23 -1.26 -2.15 115.64 109.16 1k8o s THR 80 Ca 0.10 -1.60 -0.16 0.00 -1.18 0.00 0.00 61.69 58.85 1k8o s THR 80 Cb -0.17 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1k8o s THR 80 CO 0.11 -0.87 0.97 -0.62 -0.54 0.00 0.00 174.62 173.68 1k8o n GLU 81 N 0.47 0.55 -1.29 3.99 1.02 -1.26 -4.70 120.64 119.41 1k8o n GLU 81 Ca -0.16 0.24 -0.60 0.00 -0.02 0.00 0.00 57.16 56.62 1k8o n GLU 81 Cb 0.60 -2.23 -0.12 0.00 -0.02 0.00 0.00 31.44 29.67 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 -2.44 0.16 -2.89 0.62 0.00 -1.26 -4.92 120.51 109.78 1k8o n ALA 82 Ca 0.13 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.46 1k8o n ALA 82 Cb 0.49 -2.09 -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 -1.17 0.00 0.00 0.00 177.50 176.33 1k8o s LEU 83 N 5.87 2.06 0.58 0.00 2.96 -1.26 -5.01 118.68 123.88 1k8o s LEU 83 Ca 1.19 -0.51 0.34 0.00 -0.22 0.00 0.00 54.13 54.93 1k8o s LEU 83 Cb -1.47 -1.34 1.82 0.00 0.50 0.00 0.00 46.19 45.69 1k8o s LEU 83 CO 0.66 0.21 2.19 0.50 -1.32 0.00 0.00 176.35 178.59 1k8o h LYS 84 N 6.27 0.00 -0.81 1.98 3.64 -1.92 -1.43 116.57 124.29 1k8o h LYS 84 Ca -0.28 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.27 1k8o h LYS 84 Cb 1.19 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.86 1k8o h LYS 84 CO 0.47 0.04 -0.14 0.22 -2.27 0.00 0.00 179.45 177.78 1k8o h ASP 85 N 0.00 -0.64 0.00 4.20 3.58 -1.99 -2.87 116.42 118.70 1k8o h ASP 85 Ca -0.00 0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 1k8o h ASP 85 Cb 0.19 0.47 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 1k8o h ASP 85 CO 0.01 -0.26 -1.49 0.18 -2.88 0.00 0.00 179.24 174.80 1k8o n LEU 86 N -5.48 0.00 0.00 2.28 4.32 -1.17 -5.21 117.00 111.73 1k8o n LEU 86 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1k8o n LEU 86 Cb 0.46 0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 1k8o n LEU 86 CO -0.02 0.04 0.14 -0.62 -1.22 0.00 0.00 177.39 175.71