#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 1.11 3.26 3.03 0.00 -1.26 -5.10 105.19 106.23 1k8o n GLY 2 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.49 1.06 0.03 1.61 -1.52 -1.26 -5.16 119.66 113.93 1k8o s GLN 3 Ca 0.00 -1.23 0.03 0.00 -1.95 0.00 0.00 55.36 52.21 1k8o s GLN 3 Cb 0.00 -1.05 -0.02 0.00 -0.22 0.00 0.00 33.01 31.73 1k8o s GLN 3 CO 0.00 0.21 -0.08 0.14 -0.25 0.00 0.00 175.29 175.31 1k8o s VAL 4 N -1.89 0.61 -0.18 1.09 -7.23 -1.26 -4.73 120.40 106.81 1k8o s VAL 4 Ca 0.09 -0.86 -0.13 0.00 -1.81 0.00 0.00 61.98 59.27 1k8o s VAL 4 Cb -0.06 -0.62 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 1k8o s VAL 4 CO 0.04 -0.19 0.27 0.68 -0.31 0.00 0.00 175.10 175.59 1k8o s VAL 5 N -0.97 5.31 -0.05 1.32 -7.23 0.62 -4.79 120.40 114.60 1k8o s VAL 5 Ca -0.05 0.49 -0.04 0.00 -1.81 0.00 0.00 61.98 60.57 1k8o s VAL 5 Cb -0.08 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 1k8o s VAL 5 CO 0.00 0.38 0.16 -1.10 -0.31 0.00 0.00 175.10 174.23 1k8o s GLN 6 N 0.60 3.42 -0.16 4.82 -0.21 -1.26 0.38 119.66 127.24 1k8o s GLN 6 Ca 0.15 -0.25 -0.09 0.00 0.02 0.00 0.00 55.36 55.18 1k8o s GLN 6 Cb -0.13 -3.12 -0.05 0.00 1.00 0.00 0.00 33.01 30.72 1k8o s GLN 6 CO 0.03 0.72 0.15 0.12 -2.12 0.00 0.00 175.29 174.19 1k8o s PHE 7 N -1.19 3.50 0.04 0.91 2.19 0.11 -4.91 117.98 118.62 1k8o s PHE 7 Ca 0.22 0.45 0.06 0.00 0.33 0.00 0.00 56.93 57.99 1k8o s PHE 7 Cb -0.12 -2.09 -0.02 0.00 -1.31 0.00 0.00 43.02 39.48 1k8o s PHE 7 CO 0.12 0.48 -0.18 0.21 1.83 0.00 0.00 175.22 177.68 1k8o s LYS 8 N -0.23 1.22 -0.17 10.12 2.20 -1.26 -1.49 119.74 130.13 1k8o s LYS 8 Ca 0.12 -0.84 -0.35 0.00 -0.36 0.00 0.00 55.97 54.55 1k8o s LYS 8 Cb -0.12 -1.28 -0.12 0.00 -1.51 0.00 0.00 37.83 34.81 1k8o s LYS 8 CO 0.01 0.33 1.95 -0.11 -0.36 0.00 0.00 175.35 177.17 1k8o n LEU 9 N 1.96 3.05 -3.81 5.43 -0.00 -1.26 -4.95 117.00 117.42 1k8o n LEU 9 Ca -0.17 0.83 -0.29 0.00 -0.00 0.00 0.00 56.01 56.38 1k8o n LEU 9 Cb 0.54 -1.33 -0.16 0.00 -0.00 0.00 0.00 43.42 42.47 1k8o n LEU 9 CO 0.23 -0.27 -0.38 -0.94 -0.00 0.00 0.00 177.39 176.02 1k8o s SER 10 N 4.94 3.33 0.00 1.96 1.04 -1.26 -4.32 113.70 119.38 1k8o s SER 10 Ca 0.97 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1k8o s SER 10 Cb -0.75 -0.83 0.00 0.00 0.10 0.00 0.00 66.02 64.54 1k8o s SER 10 CO 0.52 -0.29 0.00 -0.67 0.98 0.00 0.00 173.24 173.78 1k8o n ASP 11 N 4.90 0.00 -4.80 7.02 -0.08 -1.26 -4.88 116.55 117.44 1k8o n ASP 11 Ca -0.10 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.88 1k8o n ASP 11 Cb 0.46 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.86 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 -0.89 1.33 0.77 5.18 -0.00 -1.26 -4.92 121.20 121.40 1k8o s ILE 12 Ca 0.00 -1.84 -0.09 0.00 -0.00 0.00 0.00 60.65 58.71 1k8o s ILE 12 Cb 0.00 -2.18 0.08 0.00 -0.00 0.00 0.00 42.46 40.37 1k8o s ILE 12 CO 0.00 0.00 1.10 -0.83 -0.00 0.00 0.00 174.94 175.21 1k8o s GLY 13 N -4.00 1.67 -1.19 6.27 0.00 -1.26 -4.77 107.32 104.04 1k8o s GLY 13 Ca 0.15 -0.90 -0.14 0.00 0.00 0.00 0.00 44.72 43.83 1k8o s GLY 13 CO 0.09 -0.42 1.42 -1.83 0.00 0.00 0.00 173.10 172.36 1k8o s GLU 14 N -5.42 4.06 0.00 2.90 -1.05 -1.26 -3.70 118.70 114.22 1k8o s GLU 14 Ca 0.62 -2.51 0.00 0.00 -0.15 0.00 0.00 54.97 52.93 1k8o s GLU 14 Cb -0.10 -5.07 0.00 0.00 -0.44 0.00 0.00 34.13 28.52 1k8o s GLU 14 CO 0.47 -1.78 0.00 0.41 0.95 0.00 0.00 175.26 175.31 1k8o n GLY 15 N 4.23 0.37 0.00 -3.83 0.00 -1.26 -5.07 105.19 99.63 1k8o n GLY 15 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -5.35 -1.24 -5.05 119.36 105.63 1k8o n ILE 16 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.12 1k8o n ILE 16 Cb 0.00 -1.44 0.09 0.00 -1.74 0.00 0.00 39.64 36.56 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 -0.82 0.73 -2.98 6.28 1.74 -1.26 -4.94 116.66 115.41 1k8o n ARG 17 Ca 0.00 0.31 -0.18 0.00 -0.77 0.00 0.00 57.85 57.21 1k8o n ARG 17 Cb 0.00 -2.48 0.03 0.00 -1.02 0.00 0.00 32.46 29.00 1k8o n ARG 17 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1k8o s GLU 18 N -3.64 2.60 0.14 5.56 8.01 -1.26 -4.77 118.70 125.33 1k8o s GLU 18 Ca 0.79 -1.35 0.10 0.00 0.01 0.00 0.00 54.97 54.52 1k8o s GLU 18 Cb -0.35 -2.69 -0.04 0.00 -4.31 0.00 0.00 34.13 26.74 1k8o s GLU 18 CO 0.45 -0.54 -0.23 0.54 0.01 0.00 0.00 175.26 175.49 1k8o s VAL 19 N -2.51 1.98 0.21 2.63 0.11 -1.10 -4.89 120.40 116.83 1k8o s VAL 19 Ca 0.58 -1.75 0.01 0.00 -2.93 0.00 0.00 61.98 57.89 1k8o s VAL 19 Cb -0.08 -1.82 -0.04 0.00 -1.53 0.00 0.00 36.38 32.91 1k8o s VAL 19 CO 0.36 -0.08 0.37 -0.89 -3.33 0.00 0.00 175.10 171.53 1k8o s THR 20 N -1.39 5.24 0.05 5.04 2.01 -1.26 0.02 115.64 125.36 1k8o s THR 20 Ca 0.13 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 1k8o s THR 20 Cb -0.09 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1k8o s THR 20 CO 0.06 -0.21 1.00 -0.69 -0.69 0.00 0.00 174.62 174.08 1k8o s VAL 21 N -1.89 4.62 -0.12 3.82 1.01 -1.08 -3.86 120.40 122.89 1k8o s VAL 21 Ca 0.37 2.00 0.12 0.00 0.00 0.00 0.00 61.98 64.46 1k8o s VAL 21 Cb -0.11 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.76 1k8o s VAL 21 CO 0.30 0.22 0.36 1.17 0.00 0.00 0.00 175.10 177.15 1k8o n LYS 22 N 3.41 0.67 -3.98 2.72 0.00 0.42 -4.08 118.16 117.32 1k8o n LYS 22 Ca 0.05 0.18 -0.13 0.00 0.00 0.00 0.00 58.31 58.40 1k8o n LYS 22 Cb 0.50 -1.67 -0.14 0.00 0.00 0.00 0.00 35.03 33.72 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 -2.55 0.20 -0.09 1.64 2.12 -0.14 -4.96 118.70 114.92 1k8o s GLU 23 Ca -0.11 -0.17 -0.03 0.00 0.36 0.00 0.00 54.97 55.03 1k8o s GLU 23 Cb 0.07 -0.13 0.04 0.00 0.26 0.00 0.00 34.13 34.37 1k8o s GLU 23 CO 0.80 0.03 0.06 -1.58 -0.54 0.00 0.00 175.26 174.04 1k8o s TRP 24 N -0.28 0.21 -0.23 5.30 0.52 -1.26 -1.50 118.94 121.70 1k8o s TRP 24 Ca -0.02 0.00 0.10 0.00 0.02 0.00 0.00 56.10 56.21 1k8o s TRP 24 Cb -0.02 -0.60 0.44 0.00 -1.15 0.00 0.00 33.47 32.13 1k8o s TRP 24 CO -0.00 -0.31 1.21 0.66 0.02 0.00 0.00 176.95 178.52 1k8o n TYR 25 N 5.26 0.99 -3.95 -1.98 4.01 -1.08 -5.05 117.16 115.37 1k8o n TYR 25 Ca -0.05 -1.73 -0.08 0.00 -0.16 0.00 0.00 57.90 55.88 1k8o n TYR 25 Cb 0.50 -0.28 -0.04 0.00 -0.31 0.00 0.00 39.34 39.21 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 -3.60 0.00 0.10 -0.72 -7.23 -1.26 -4.63 120.40 103.06 1k8o s VAL 26 Ca 0.42 -1.26 -0.10 0.00 -1.81 0.00 0.00 61.98 59.23 1k8o s VAL 26 Cb 0.38 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 35.16 1k8o s VAL 26 CO -0.03 0.00 0.24 -0.54 -0.31 0.00 0.00 175.10 174.46 1k8o s LYS 27 N -3.90 0.90 0.20 4.82 -0.14 -1.26 -5.06 119.74 115.30 1k8o s LYS 27 Ca 0.18 -0.90 -0.33 0.00 -1.36 0.00 0.00 55.97 53.57 1k8o s LYS 27 Cb -0.03 0.37 -0.13 0.00 -1.68 0.00 0.00 37.83 36.36 1k8o s LYS 27 CO 0.09 -0.30 1.53 0.39 -0.76 0.00 0.00 175.35 176.30 1k8o n GLU 28 N -0.10 2.20 -0.92 1.68 4.71 -1.26 0.10 120.64 127.05 1k8o n GLU 28 Ca -0.15 0.79 0.00 0.00 -0.01 0.00 0.00 57.16 57.79 1k8o n GLU 28 Cb 0.63 -2.53 0.00 0.00 -1.01 0.00 0.00 31.44 28.53 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 2.93 0.61 3.93 0.62 0.00 0.44 -4.87 105.19 108.85 1k8o n GLY 29 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.48 6.38 0.12 1.61 -1.08 0.12 -4.80 116.67 116.53 1k8o s ASP 30 Ca 0.00 0.43 0.00 0.00 -0.52 0.00 0.00 52.55 52.46 1k8o s ASP 30 Cb 0.00 -2.02 -0.04 0.00 -1.46 0.00 0.00 42.92 39.40 1k8o s ASP 30 CO 0.00 -0.09 0.27 -0.89 0.52 0.00 0.00 175.17 174.98 1k8o s THR 31 N -1.95 5.32 0.15 1.71 2.01 -1.26 0.11 115.64 121.73 1k8o s THR 31 Ca 0.39 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.98 1k8o s THR 31 Cb -0.11 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1k8o s THR 31 CO 0.30 0.00 0.09 0.68 -0.69 0.00 0.00 174.62 175.00 1k8o s VAL 32 N -1.66 4.28 0.22 3.82 -7.23 0.42 -4.88 120.40 115.37 1k8o s VAL 32 Ca 0.36 -1.11 0.06 0.00 -1.81 0.00 0.00 61.98 59.48 1k8o s VAL 32 Cb -0.12 -3.15 -0.05 0.00 0.56 0.00 0.00 36.38 33.62 1k8o s VAL 32 CO 0.28 -0.06 -0.08 -0.44 -0.31 0.00 0.00 175.10 174.50 1k8o s SER 33 N -2.90 2.23 0.51 4.85 0.01 -1.21 -1.94 113.70 115.25 1k8o s SER 33 Ca 0.29 -1.11 0.26 0.00 1.31 0.00 0.00 55.95 56.71 1k8o s SER 33 Cb -0.10 -0.07 1.38 0.00 0.21 0.00 0.00 66.02 67.43 1k8o s SER 33 CO 0.22 -0.34 1.93 -0.61 0.41 0.00 0.00 173.24 174.85 1k8o h GLN 34 N 2.52 0.07 0.00 12.44 -0.00 -1.91 0.51 115.11 128.74 1k8o h GLN 34 Ca -0.38 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.26 1k8o h GLN 34 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.68 1k8o h GLN 34 CO 0.64 0.05 -1.54 1.19 0.00 0.00 0.00 178.83 179.17 1k8o n PHE 35 N -4.35 0.40 -3.22 3.99 3.01 -1.26 -4.12 117.46 111.91 1k8o n PHE 35 Ca 0.15 0.12 -0.46 0.00 1.01 0.00 0.00 57.45 58.27 1k8o n PHE 35 Cb 0.75 -0.68 -0.04 0.00 -0.01 0.00 0.00 39.48 39.51 1k8o n PHE 35 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1k8o s ASP 36 N -4.81 6.38 0.81 4.37 1.11 0.17 -4.99 116.67 119.71 1k8o s ASP 36 Ca -0.04 -1.94 -0.10 0.00 0.18 0.00 0.00 52.55 50.64 1k8o s ASP 36 Cb 0.12 -2.25 0.08 0.00 1.07 0.00 0.00 42.92 41.94 1k8o s ASP 36 CO 0.86 -0.88 1.11 -0.94 1.18 0.00 0.00 175.17 176.49 1k8o s SER 37 N 3.23 4.06 0.00 0.27 1.04 -1.26 -3.36 113.70 117.68 1k8o s SER 37 Ca 0.12 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1k8o s SER 37 Cb -0.21 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1k8o s SER 37 CO -0.00 -2.34 0.00 -0.38 0.98 0.00 0.00 173.24 171.50 1k8o n ILE 38 N -3.72 0.00 -4.08 -1.02 5.41 -0.98 -3.28 119.36 111.69 1k8o n ILE 38 Ca 0.10 0.38 -0.14 0.00 1.00 0.00 0.00 62.75 64.10 1k8o n ILE 38 Cb 0.53 -1.21 -0.12 0.00 -0.71 0.00 0.00 39.64 38.12 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 -1.03 -0.04 0.19 0.00 2.02 -0.56 -1.84 118.70 117.43 1k8o s GLU 40 Ca -0.06 0.30 0.11 0.00 0.02 0.00 0.00 54.97 55.34 1k8o s GLU 40 Cb -0.07 -0.35 -0.04 0.00 0.10 0.00 0.00 34.13 33.76 1k8o s GLU 40 CO 0.00 -0.24 -0.18 0.14 0.02 0.00 0.00 175.26 174.99 1k8o s VAL 41 N 1.60 2.67 -0.04 2.63 -7.23 -0.21 0.16 120.40 119.98 1k8o s VAL 41 Ca -0.03 -1.91 -0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1k8o s VAL 41 Cb -0.12 -2.30 0.03 0.00 0.56 0.00 0.00 36.38 34.54 1k8o s VAL 41 CO -0.03 -0.13 0.05 -1.10 -0.31 0.00 0.00 175.10 173.58 1k8o s GLN 42 N -2.77 -0.07 0.16 4.82 -0.21 -1.25 -0.91 119.66 119.44 1k8o s GLN 42 Ca 0.23 0.34 0.09 0.00 0.02 0.00 0.00 55.36 56.03 1k8o s GLN 42 Cb -0.08 -0.45 -0.04 0.00 1.00 0.00 0.00 33.01 33.44 1k8o s GLN 42 CO 0.12 -0.29 -0.20 0.45 -2.12 0.00 0.00 175.29 173.25 1k8o s SER 43 N 1.91 2.81 0.56 5.90 0.15 -1.09 -4.78 113.70 119.16 1k8o s SER 43 Ca 0.02 -0.83 0.33 0.00 0.70 0.00 0.00 55.95 56.16 1k8o s SER 43 Cb -0.12 -0.17 1.47 0.00 -1.71 0.00 0.00 66.02 65.48 1k8o s SER 43 CO -0.03 0.01 1.80 -0.78 1.20 0.00 0.00 173.24 175.45 1k8o h ASP 44 N 3.38 0.00 0.02 5.45 1.82 -2.01 -2.58 116.42 122.50 1k8o h ASP 44 Ca -0.44 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.20 1k8o h ASP 44 Cb 1.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1k8o h ASP 44 CO 0.48 0.00 -0.01 0.50 -1.61 0.00 0.00 179.24 178.60 1k8o h LYS 45 N 0.00 -0.02 -3.27 0.28 3.64 -1.99 -3.48 116.57 111.73 1k8o h LYS 45 Ca 0.44 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.68 1k8o h LYS 45 Cb 1.93 0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 33.55 1k8o h LYS 45 CO -0.00 -0.02 -0.40 0.00 -2.27 0.00 0.00 179.45 176.76 1k8o s ALA 46 N -3.02 -0.55 -0.12 5.00 0.00 -0.97 -5.16 121.76 116.95 1k8o s ALA 46 Ca -0.00 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 1k8o s ALA 46 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1k8o s ALA 46 CO 0.01 -0.21 0.03 -1.12 0.00 0.00 0.00 175.76 174.47 1k8o s SER 47 N -1.10 5.42 -0.01 0.00 0.01 -1.26 -2.68 113.70 114.08 1k8o s SER 47 Ca -0.12 0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.34 1k8o s SER 47 Cb -0.06 -1.70 -0.01 0.00 0.21 0.00 0.00 66.02 64.46 1k8o s SER 47 CO 0.02 0.31 -0.17 -0.69 0.41 0.00 0.00 173.24 173.13 1k8o s VAL 48 N -0.48 1.31 -0.07 3.43 1.01 -0.09 -5.00 120.40 120.51 1k8o s VAL 48 Ca 0.09 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1k8o s VAL 48 Cb -0.12 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1k8o s VAL 48 CO 0.02 0.37 -0.12 0.42 0.00 0.00 0.00 175.10 175.79 1k8o s THR 49 N -0.39 1.11 -0.40 3.92 -4.23 -1.26 -1.04 115.64 113.34 1k8o s THR 49 Ca 0.06 -0.45 -0.09 0.00 -1.18 0.00 0.00 61.69 60.03 1k8o s THR 49 Cb -0.06 -1.02 0.07 0.00 1.34 0.00 0.00 72.50 72.82 1k8o s THR 49 CO -0.01 0.35 0.23 -0.63 -0.54 0.00 0.00 174.62 174.02 1k8o s ILE 50 N 0.76 4.19 0.87 2.99 -1.09 -0.77 -5.02 121.20 123.13 1k8o s ILE 50 Ca -0.13 -1.29 -0.11 0.00 -2.23 0.00 0.00 60.65 56.89 1k8o s ILE 50 Cb -0.15 -3.51 0.19 0.00 -1.58 0.00 0.00 42.46 37.41 1k8o s ILE 50 CO 0.03 -0.42 1.18 0.35 -1.23 0.00 0.00 174.94 174.85 1k8o n THR 51 N 4.91 0.00 -0.11 2.92 -2.24 -1.26 -2.32 114.28 116.17 1k8o n THR 51 Ca -0.10 -1.15 -0.20 0.00 -2.27 0.00 0.00 64.05 60.32 1k8o n THR 51 Cb 0.44 -1.31 -0.08 0.00 -2.10 0.00 0.00 70.33 67.28 1k8o n THR 51 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k8o n SER 52 N -3.52 1.91 0.00 3.42 7.64 -1.26 -4.61 113.62 117.20 1k8o n SER 52 Ca 0.16 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1k8o n SER 52 Cb 0.57 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1k8o n SER 52 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1k8o n ARG 53 N -4.39 -0.68 -3.70 1.43 3.00 -1.26 -4.84 116.66 106.21 1k8o n ARG 53 Ca -0.34 0.17 0.03 0.00 -0.00 0.00 0.00 57.85 57.71 1k8o n ARG 53 Cb 0.67 -4.03 0.00 0.00 0.00 0.00 0.00 32.46 29.11 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 -1.71 -0.01 -0.30 -0.14 2.02 -1.26 -4.91 117.35 111.03 1k8o s TYR 54 Ca 0.00 -0.06 -0.14 0.00 -0.37 0.00 0.00 57.07 56.50 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 -0.19 0.32 0.16 -1.57 0.00 0.00 175.55 174.27 1k8o s ASP 55 N -3.21 6.16 0.26 2.29 -4.77 -1.26 -3.53 116.67 112.62 1k8o s ASP 55 Ca 0.19 0.04 0.06 0.00 -3.30 0.00 0.00 52.55 49.53 1k8o s ASP 55 Cb 0.04 -2.18 -0.06 0.00 -1.09 0.00 0.00 42.92 39.64 1k8o s ASP 55 CO -0.04 -0.20 -0.04 -0.83 0.70 0.00 0.00 175.17 174.76 1k8o s GLY 56 N 1.70 1.75 -0.24 2.12 0.00 -0.82 -4.82 107.32 107.01 1k8o s GLY 56 Ca 0.12 -1.86 -0.07 0.00 0.00 0.00 0.00 44.72 42.91 1k8o s GLY 56 CO 0.11 -1.79 0.05 0.14 0.00 0.00 0.00 173.10 171.61 1k8o s VAL 57 N -3.12 4.13 -0.24 1.40 1.01 -0.91 0.16 120.40 122.84 1k8o s VAL 57 Ca 0.29 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1k8o s VAL 57 Cb 0.04 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1k8o s VAL 57 CO 0.11 0.35 0.15 -0.63 0.00 0.00 0.00 175.10 175.08 1k8o s ILE 58 N 1.59 5.29 -0.22 2.22 1.01 0.30 -0.47 121.20 130.92 1k8o s ILE 58 Ca 0.06 0.15 0.11 0.00 0.00 0.00 0.00 60.65 60.97 1k8o s ILE 58 Cb -0.15 -3.46 -0.22 0.00 0.01 0.00 0.00 42.46 38.64 1k8o s ILE 58 CO 0.02 0.35 -0.03 1.17 0.00 0.00 0.00 174.94 176.45 1k8o n LYS 59 N 4.29 0.67 -3.74 2.79 4.81 -1.06 0.17 118.16 126.09 1k8o n LYS 59 Ca -0.15 0.07 -0.13 0.00 -0.87 0.00 0.00 58.31 57.23 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 -2.51 0.55 0.03 1.64 0.00 -1.26 -1.53 119.74 116.66 1k8o s LYS 60 Ca -0.21 0.31 0.05 0.00 0.00 0.00 0.00 55.97 56.12 1k8o s LYS 60 Cb 0.07 0.26 -0.02 0.00 0.00 0.00 0.00 37.83 38.14 1k8o s LYS 60 CO 0.73 -0.11 -0.16 -0.51 0.00 0.00 0.00 175.35 175.31 1k8o s LEU 61 N -0.32 2.15 -0.06 2.77 1.43 -1.26 -3.48 118.68 119.91 1k8o s LEU 61 Ca -0.05 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1k8o s LEU 61 Cb -0.03 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1k8o s LEU 61 CO 0.02 0.08 -0.06 0.00 0.23 0.00 0.00 176.35 176.62 1k8o n TYR 62 N 1.98 0.00 -4.22 0.29 9.36 -1.21 -4.95 117.16 118.40 1k8o n TYR 62 Ca -0.17 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.70 1k8o n TYR 62 Cb 0.54 -0.25 -0.08 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 -2.13 3.24 0.26 2.98 2.02 -1.26 -5.02 117.35 117.44 1k8o s TYR 63 Ca -0.09 0.23 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 1k8o s TYR 63 Cb 0.02 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1k8o s TYR 63 CO 0.14 0.53 0.05 0.09 -1.57 0.00 0.00 175.55 174.79 1k8o n ASN 64 N 1.75 2.48 0.27 2.29 4.13 -1.26 -4.93 115.26 119.99 1k8o n ASN 64 Ca -0.17 -2.06 0.15 0.00 1.68 0.00 0.00 54.58 54.19 1k8o n ASN 64 Cb 0.53 0.12 0.73 0.00 -1.54 0.00 0.00 39.78 39.63 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 -1.92 -1.40 115.31 119.47 1k8o h LEU 65 Ca -0.20 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.63 1k8o h LEU 65 Cb 0.63 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.34 1k8o h LEU 65 CO 0.33 0.00 -1.82 -0.67 -1.08 0.00 0.00 178.44 175.20 1k8o n ASP 66 N -3.05 1.64 -4.83 -0.43 -0.08 -1.26 -4.09 116.55 104.45 1k8o n ASP 66 Ca 0.01 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.97 1k8o n ASP 66 Cb 0.51 1.22 -0.02 0.00 2.34 0.00 0.00 41.12 45.16 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 -4.23 6.42 -0.04 1.67 1.01 -0.53 -4.84 116.67 116.13 1k8o s ASP 67 Ca -0.06 1.63 -0.01 0.00 0.71 0.00 0.00 52.55 54.83 1k8o s ASP 67 Cb 0.06 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 1k8o s ASP 67 CO 0.58 -0.73 0.02 -0.63 0.21 0.00 0.00 175.17 174.63 1k8o s ILE 68 N -2.58 4.40 0.10 0.77 -1.09 -1.26 -2.65 121.20 118.90 1k8o s ILE 68 Ca 0.60 -0.38 0.07 0.00 -2.23 0.00 0.00 60.65 58.71 1k8o s ILE 68 Cb -0.11 -2.93 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 1k8o s ILE 68 CO 0.33 0.47 -0.08 0.00 -1.23 0.00 0.00 174.94 174.43 1k8o s ALA 69 N -1.03 3.03 0.07 9.38 0.00 0.10 -4.89 121.76 128.42 1k8o s ALA 69 Ca 0.17 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 50.96 1k8o s ALA 69 Cb -0.12 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1k8o s ALA 69 CO 0.08 0.66 -0.01 -0.47 0.00 0.00 0.00 175.76 176.01 1k8o s TYR 70 N -1.24 2.98 0.08 0.00 5.04 -1.26 -2.71 117.35 120.24 1k8o s TYR 70 Ca 0.22 -0.02 -0.28 0.00 -2.44 0.00 0.00 57.07 54.56 1k8o s TYR 70 Cb -0.11 -1.56 -0.06 0.00 0.35 0.00 0.00 41.96 40.58 1k8o s TYR 70 CO 0.15 0.46 0.87 0.08 -1.34 0.00 0.00 175.55 175.77 1k8o s VAL 71 N -1.24 4.61 0.00 3.14 1.01 -1.26 -3.98 120.40 122.68 1k8o s VAL 71 Ca 0.24 1.87 0.00 0.00 0.00 0.00 0.00 61.98 64.09 1k8o s VAL 71 Cb -0.12 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1k8o s VAL 71 CO 0.16 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1k8o n GLY 72 N 2.32 1.72 3.00 4.51 0.00 -1.26 -4.52 105.19 110.97 1k8o n GLY 72 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.16 0.78 1.61 -2.85 -1.26 -5.14 119.74 113.05 1k8o s LYS 73 Ca 0.00 0.45 -0.11 0.00 -1.00 0.00 0.00 55.97 55.31 1k8o s LYS 73 Cb 0.00 -0.13 0.06 0.00 -2.06 0.00 0.00 37.83 35.70 1k8o s LYS 73 CO 0.00 -0.15 1.09 -2.14 0.10 0.00 0.00 175.35 174.25 1k8o s PRO 74 N 1.14 2.20 0.00 1.78 0.02 -1.26 -4.31 135.00 134.57 1k8o s PRO 74 Ca -0.09 1.10 0.00 0.00 0.02 0.00 0.00 61.00 62.04 1k8o s PRO 74 Cb -0.10 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1k8o s PRO 74 CO -0.07 -1.66 0.00 1.47 -0.33 0.00 0.00 177.00 176.41 1k8o n LEU 75 N -3.53 0.00 -3.88 -5.54 -0.00 -0.55 -4.95 117.00 98.55 1k8o n LEU 75 Ca 0.09 -0.11 -0.12 0.00 -0.00 0.00 0.00 56.01 55.87 1k8o n LEU 75 Cb 0.53 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.82 1k8o n LEU 75 CO 0.54 0.00 -0.36 0.54 -0.00 0.00 0.00 177.39 178.11 1k8o s VAL 76 N -1.25 0.01 -0.16 1.47 0.11 -1.13 -3.35 120.40 116.10 1k8o s VAL 76 Ca 0.00 -0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 1k8o s VAL 76 Cb 0.00 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.79 1k8o s VAL 76 CO 0.00 -0.04 -0.04 -1.81 -3.33 0.00 0.00 175.10 169.87 1k8o s ASP 77 N -0.12 4.70 0.04 3.54 1.01 -1.23 0.06 116.67 124.67 1k8o s ASP 77 Ca -0.01 -0.17 0.02 0.00 0.71 0.00 0.00 52.55 53.10 1k8o s ASP 77 Cb -0.01 -1.77 -0.02 0.00 1.01 0.00 0.00 42.92 42.13 1k8o s ASP 77 CO -0.00 0.15 -0.08 -0.63 0.21 0.00 0.00 175.17 174.82 1k8o s ILE 78 N 0.45 0.57 -0.38 0.77 1.09 0.16 -2.56 121.20 121.30 1k8o s ILE 78 Ca -0.04 -1.08 -0.16 0.00 -1.10 0.00 0.00 60.65 58.27 1k8o s ILE 78 Cb -0.14 -0.63 0.00 0.00 -1.06 0.00 0.00 42.46 40.63 1k8o s ILE 78 CO 0.03 -0.36 0.37 -1.61 -0.10 0.00 0.00 174.94 173.27 1k8o s GLU 79 N -1.56 3.32 0.05 2.79 0.41 0.38 0.23 118.70 124.32 1k8o s GLU 79 Ca -0.09 -0.63 -0.04 0.00 -0.41 0.00 0.00 54.97 53.80 1k8o s GLU 79 Cb -0.10 -3.88 -0.02 0.00 -1.78 0.00 0.00 34.13 28.35 1k8o s GLU 79 CO 0.00 -0.66 0.05 0.99 -0.49 0.00 0.00 175.26 175.16 1k8o s THR 80 N 1.99 0.17 -0.01 3.63 2.01 -1.26 -2.13 115.64 120.04 1k8o s THR 80 Ca 0.11 -1.40 -0.33 0.00 0.31 0.00 0.00 61.69 60.38 1k8o s THR 80 Cb -0.17 -1.19 -0.11 0.00 0.01 0.00 0.00 72.50 71.03 1k8o s THR 80 CO 0.12 -0.77 1.87 -0.62 -0.69 0.00 0.00 174.62 174.53 1k8o n GLU 81 N 0.40 2.41 -1.65 4.92 1.02 -1.26 -4.72 120.64 121.76 1k8o n GLU 81 Ca -0.17 0.88 -0.63 0.00 -0.02 0.00 0.00 57.16 57.23 1k8o n GLU 81 Cb 0.60 -2.75 -0.09 0.00 -0.02 0.00 0.00 31.44 29.18 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 6.44 -0.63 -2.77 0.62 0.00 -1.26 -4.86 120.51 118.04 1k8o n ALA 82 Ca 0.21 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.72 1k8o n ALA 82 Cb 0.33 -2.07 -0.07 0.00 0.00 0.00 0.00 19.45 17.64 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 3.87 3.85 0.00 0.00 2.96 -1.26 -4.99 118.68 123.11 1k8o s LEU 83 Ca 1.06 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 55.06 1k8o s LEU 83 Cb -1.33 -2.32 0.00 0.00 0.50 0.00 0.00 46.19 43.03 1k8o s LEU 83 CO 0.73 0.24 0.00 0.29 -1.32 0.00 0.00 176.35 176.29 1k8o n LYS 84 N 0.99 0.00 -0.03 1.98 5.02 -1.26 -2.65 118.16 122.20 1k8o n LYS 84 Ca -0.12 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.11 1k8o n LYS 84 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.51 1k8o n LYS 84 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1k8o n ASP 85 N -3.45 1.38 0.00 4.39 8.00 -1.26 -5.00 116.55 120.61 1k8o n ASP 85 Ca 0.00 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1k8o n ASP 85 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1k8o n ASP 85 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1k8o n LEU 86 N -3.88 0.00 0.00 0.64 7.94 -1.09 -5.17 117.00 115.45 1k8o n LEU 86 Ca -0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 1k8o n LEU 86 Cb 0.35 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.30 1k8o n LEU 86 CO 0.08 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 174.52