#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 1.04 3.90 3.03 0.00 -1.26 -5.11 105.19 106.79 1k8o n GLY 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.27 3.62 0.06 1.61 1.11 -1.26 -5.10 119.66 119.44 1k8o s GLN 3 Ca 0.00 -0.06 0.08 0.00 0.01 0.00 0.00 55.36 55.39 1k8o s GLN 3 Cb 0.00 -2.73 -0.03 0.00 -1.01 0.00 0.00 33.01 29.24 1k8o s GLN 3 CO 0.00 0.32 -0.19 0.14 0.01 0.00 0.00 175.29 175.56 1k8o s VAL 4 N -1.93 2.71 -0.20 1.09 -7.23 -1.26 -4.68 120.40 108.91 1k8o s VAL 4 Ca 0.43 -1.32 -0.12 0.00 -1.81 0.00 0.00 61.98 59.15 1k8o s VAL 4 Cb -0.11 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 1k8o s VAL 4 CO 0.28 0.27 0.24 0.68 -0.31 0.00 0.00 175.10 176.26 1k8o s VAL 5 N -0.97 5.32 -0.13 1.32 -7.23 0.58 -4.76 120.40 114.52 1k8o s VAL 5 Ca 0.15 0.40 -0.08 0.00 -1.81 0.00 0.00 61.98 60.64 1k8o s VAL 5 Cb -0.10 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 1k8o s VAL 5 CO 0.06 0.35 0.15 -1.10 -0.31 0.00 0.00 175.10 174.25 1k8o s GLN 6 N 0.82 3.61 -0.14 4.82 1.11 -1.26 0.11 119.66 128.74 1k8o s GLN 6 Ca 0.13 -0.13 -0.08 0.00 0.01 0.00 0.00 55.36 55.29 1k8o s GLN 6 Cb -0.13 -3.24 -0.04 0.00 -1.01 0.00 0.00 33.01 28.59 1k8o s GLN 6 CO 0.04 0.67 0.14 0.12 0.01 0.00 0.00 175.29 176.27 1k8o s PHE 7 N -0.73 3.55 0.03 0.91 2.19 0.89 -4.87 117.98 119.96 1k8o s PHE 7 Ca 0.14 0.48 0.06 0.00 0.33 0.00 0.00 56.93 57.94 1k8o s PHE 7 Cb -0.12 -1.98 -0.02 0.00 -1.31 0.00 0.00 43.02 39.59 1k8o s PHE 7 CO 0.03 0.64 -0.17 -1.59 1.83 0.00 0.00 175.22 175.97 1k8o s LYS 8 N -0.74 1.13 0.15 10.12 0.00 -1.26 -0.99 119.74 128.15 1k8o s LYS 8 Ca 0.14 -0.80 -0.34 0.00 0.00 0.00 0.00 55.97 54.97 1k8o s LYS 8 Cb -0.12 -1.17 -0.16 0.00 0.00 0.00 0.00 37.83 36.37 1k8o s LYS 8 CO 0.03 0.30 1.14 -0.11 0.00 0.00 0.00 175.35 176.70 1k8o n LEU 9 N 1.97 1.25 -4.39 2.77 -0.00 -1.26 -4.96 117.00 112.37 1k8o n LEU 9 Ca -0.17 1.14 -0.19 0.00 -0.00 0.00 0.00 56.01 56.78 1k8o n LEU 9 Cb 0.54 -1.17 -0.10 0.00 -0.00 0.00 0.00 43.42 42.69 1k8o n LEU 9 CO 0.23 -1.42 -0.29 -0.44 -0.00 0.00 0.00 177.39 175.47 1k8o s SER 10 N -0.01 2.04 0.00 1.96 0.01 -1.26 -3.86 113.70 112.58 1k8o s SER 10 Ca 0.75 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1k8o s SER 10 Cb -0.90 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 65.31 1k8o s SER 10 CO 0.52 -0.59 0.00 -0.67 0.41 0.00 0.00 173.24 172.92 1k8o n ASP 11 N -0.57 0.00 -4.96 2.44 -0.08 -1.26 -4.95 116.55 107.18 1k8o n ASP 11 Ca -0.03 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.03 1k8o n ASP 11 Cb 0.66 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.13 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 -1.51 4.04 0.44 5.18 1.09 -1.26 -5.10 121.20 124.07 1k8o s ILE 12 Ca 0.00 -0.53 0.07 0.00 -1.10 0.00 0.00 60.65 59.08 1k8o s ILE 12 Cb 0.00 -3.48 -0.04 0.00 -1.06 0.00 0.00 42.46 37.88 1k8o s ILE 12 CO 0.00 -0.33 0.19 -0.83 -0.10 0.00 0.00 174.94 173.88 1k8o s GLY 13 N -4.21 2.40 0.46 6.18 0.00 -1.26 -4.49 107.32 106.40 1k8o s GLY 13 Ca 0.48 -1.87 0.30 0.00 0.00 0.00 0.00 44.72 43.63 1k8o s GLY 13 CO 0.37 -1.94 1.70 1.05 0.00 0.00 0.00 173.10 174.29 1k8o h GLU 14 N 1.34 0.15 0.00 2.90 4.11 -1.98 -3.28 114.58 117.82 1k8o h GLU 14 Ca -0.42 -0.01 -0.22 0.00 0.07 0.00 0.00 59.36 58.78 1k8o h GLU 14 Cb 1.26 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.34 1k8o h GLU 14 CO 0.69 0.10 -0.40 0.41 0.07 0.00 0.00 179.01 179.87 1k8o n GLY 15 N -1.60 0.18 0.01 1.06 0.00 -1.26 -4.98 105.19 98.59 1k8o n GLY 15 Ca 0.32 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 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 0.82 0.07 0.00 -0.61 -6.64 -1.24 -5.11 119.36 106.66 1k8o n ILE 16 Ca 0.06 -0.03 0.00 0.00 -1.77 0.00 0.00 62.75 61.01 1k8o n ILE 16 Cb 0.68 -0.73 0.00 0.00 -1.44 0.00 0.00 39.64 38.15 1k8o n ILE 16 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64 1k8o n ARG 17 N -2.32 0.00 -3.16 6.28 0.63 -1.26 -5.01 116.66 111.81 1k8o n ARG 17 Ca -0.02 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.72 1k8o n ARG 17 Cb 0.53 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.44 1k8o n ARG 17 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1k8o s GLU 18 N -1.01 2.95 0.10 -0.14 2.02 -1.26 -4.50 118.70 116.87 1k8o s GLU 18 Ca 0.00 -1.00 0.09 0.00 0.02 0.00 0.00 54.97 54.09 1k8o s GLU 18 Cb 0.00 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 1k8o s GLU 18 CO 0.00 -0.18 -0.24 0.54 0.02 0.00 0.00 175.26 175.41 1k8o s VAL 19 N -2.35 1.97 0.15 2.63 0.11 -1.11 -4.91 120.40 116.89 1k8o s VAL 19 Ca 0.50 -1.57 0.01 0.00 -2.93 0.00 0.00 61.98 58.00 1k8o s VAL 19 Cb -0.10 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 1k8o s VAL 19 CO 0.33 0.08 0.30 -0.89 -3.33 0.00 0.00 175.10 171.59 1k8o s THR 20 N -1.04 5.30 -0.05 5.04 2.01 -1.26 -0.89 115.64 124.75 1k8o s THR 20 Ca 0.10 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1k8o s THR 20 Cb -0.10 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1k8o s THR 20 CO 0.04 -0.09 1.02 -0.69 -0.69 0.00 0.00 174.62 174.21 1k8o s VAL 21 N -1.75 4.75 -0.11 3.82 1.01 -1.09 -3.77 120.40 123.26 1k8o s VAL 21 Ca 0.36 1.99 0.16 0.00 0.00 0.00 0.00 61.98 64.48 1k8o s VAL 21 Cb -0.11 -4.28 -0.23 0.00 0.00 0.00 0.00 36.38 31.76 1k8o s VAL 21 CO 0.29 0.08 0.48 1.17 0.00 0.00 0.00 175.10 177.11 1k8o n LYS 22 N 4.48 0.65 -3.81 2.72 3.00 0.44 -4.07 118.16 121.57 1k8o n LYS 22 Ca 0.08 0.16 -0.14 0.00 -0.00 0.00 0.00 58.31 58.41 1k8o n LYS 22 Cb 0.49 -1.69 -0.15 0.00 0.00 0.00 0.00 35.03 33.68 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 -2.65 -0.02 -0.16 1.64 2.56 -1.01 -4.99 118.70 114.07 1k8o s GLU 23 Ca -0.06 0.11 -0.01 0.00 0.00 0.00 0.00 54.97 55.01 1k8o s GLU 23 Cb 0.08 -0.13 0.04 0.00 2.00 0.00 0.00 34.13 36.12 1k8o s GLU 23 CO 0.83 -0.09 -0.03 -1.58 -0.56 0.00 0.00 175.26 173.82 1k8o s TRP 24 N 0.59 1.48 -0.16 5.30 0.23 -1.26 -1.42 118.94 123.69 1k8o s TRP 24 Ca -0.05 -0.93 0.16 0.00 -2.03 0.00 0.00 56.10 53.25 1k8o s TRP 24 Cb -0.07 -1.21 0.35 0.00 0.03 0.00 0.00 33.47 32.57 1k8o s TRP 24 CO -0.02 -0.58 1.20 0.98 0.96 0.00 0.00 176.95 179.49 1k8o n TYR 25 N 4.93 0.09 -3.85 -1.98 4.19 -1.10 -5.03 117.16 114.42 1k8o n TYR 25 Ca -0.11 -1.16 -0.10 0.00 3.31 0.00 0.00 57.90 59.84 1k8o n TYR 25 Cb 0.48 -0.20 -0.08 0.00 0.49 0.00 0.00 39.34 40.03 1k8o n TYR 25 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 1k8o s VAL 26 N -3.00 0.12 0.05 2.97 -7.23 -1.26 -4.68 120.40 107.37 1k8o s VAL 26 Ca 0.35 -1.03 -0.01 0.00 -1.81 0.00 0.00 61.98 59.48 1k8o s VAL 26 Cb 0.31 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 1k8o s VAL 26 CO 0.00 -0.57 -0.03 -0.54 -0.31 0.00 0.00 175.10 173.65 1k8o s LYS 27 N -3.23 0.56 0.22 4.82 1.02 -1.26 -5.07 119.74 116.80 1k8o s LYS 27 Ca 0.00 -1.12 -0.32 0.00 0.02 0.00 0.00 55.97 54.56 1k8o s LYS 27 Cb 0.02 0.19 -0.14 0.00 -0.52 0.00 0.00 37.83 37.38 1k8o s LYS 27 CO -0.08 -0.10 1.31 0.39 -0.92 0.00 0.00 175.35 175.95 1k8o n GLU 28 N 0.37 1.72 -0.95 1.68 1.02 -1.26 -0.22 120.64 122.99 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 0.60 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 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 2.04 0.73 3.92 0.62 0.00 0.44 -4.92 105.19 108.02 1k8o n GLY 29 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.60 6.25 0.06 1.61 2.15 0.69 -4.84 116.67 120.00 1k8o s ASP 30 Ca 0.00 0.15 -0.01 0.00 0.43 0.00 0.00 52.55 53.13 1k8o s ASP 30 Cb 0.00 -1.87 -0.04 0.00 -0.30 0.00 0.00 42.92 40.71 1k8o s ASP 30 CO 0.00 0.07 0.23 -0.89 -0.17 0.00 0.00 175.17 174.41 1k8o s THR 31 N -1.70 5.37 0.24 1.71 2.01 -1.26 0.85 115.64 122.86 1k8o s THR 31 Ca 0.34 -0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1k8o s THR 31 Cb -0.11 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1k8o s THR 31 CO 0.28 0.14 0.25 0.68 -0.69 0.00 0.00 174.62 175.29 1k8o s VAL 32 N -1.51 4.77 0.10 3.82 -7.23 0.35 -4.90 120.40 115.80 1k8o s VAL 32 Ca 0.35 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 1k8o s VAL 32 Cb -0.13 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.20 1k8o s VAL 32 CO 0.27 -0.32 -0.02 -0.44 -0.31 0.00 0.00 175.10 174.28 1k8o s SER 33 N -3.83 0.80 0.63 4.85 0.01 -1.23 -2.34 113.70 112.58 1k8o s SER 33 Ca 0.33 -1.07 0.30 0.00 1.31 0.00 0.00 55.95 56.82 1k8o s SER 33 Cb -0.08 0.17 1.61 0.00 0.21 0.00 0.00 66.02 67.93 1k8o s SER 33 CO 0.26 -0.57 1.96 -0.61 0.41 0.00 0.00 173.24 174.70 1k8o h GLN 34 N 2.96 0.00 0.00 12.44 4.15 -1.91 0.15 115.11 132.90 1k8o h GLN 34 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.07 1k8o h GLN 34 Cb 1.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1k8o h GLN 34 CO 0.64 0.00 -1.81 0.34 -1.93 0.00 0.00 178.83 176.07 1k8o n PHE 35 N -3.35 0.00 -3.38 3.99 -0.00 -1.26 -4.45 117.46 109.00 1k8o n PHE 35 Ca 0.02 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 57.02 1k8o n PHE 35 Cb 0.46 -0.41 -0.03 0.00 -0.00 0.00 0.00 39.48 39.50 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 -4.21 6.53 0.91 -2.13 1.01 0.53 -5.04 116.67 114.27 1k8o s ASP 36 Ca -0.05 -2.69 -0.10 0.00 0.71 0.00 0.00 52.55 50.42 1k8o s ASP 36 Cb 0.14 -2.16 0.14 0.00 1.01 0.00 0.00 42.92 42.05 1k8o s ASP 36 CO 0.88 -0.55 1.15 -0.94 0.21 0.00 0.00 175.17 175.92 1k8o s SER 37 N 1.99 2.94 0.00 0.27 1.04 -1.26 -3.54 113.70 115.15 1k8o s SER 37 Ca 0.17 2.20 0.00 0.00 0.48 0.00 0.00 55.95 58.81 1k8o s SER 37 Cb -0.12 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1k8o s SER 37 CO -0.08 -3.09 0.00 -0.38 0.98 0.00 0.00 173.24 170.67 1k8o n ILE 38 N -4.19 0.00 -4.61 -1.02 5.41 -1.02 -3.64 119.36 110.30 1k8o n ILE 38 Ca 0.12 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.57 1k8o n ILE 38 Cb 0.52 -0.49 -0.13 0.00 -0.71 0.00 0.00 39.64 38.83 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 -1.60 0.56 0.12 0.00 2.12 -0.51 -1.41 118.70 117.98 1k8o s GLU 40 Ca 0.15 -0.03 0.06 0.00 0.36 0.00 0.00 54.97 55.51 1k8o s GLU 40 Cb -0.10 -0.64 -0.04 0.00 0.26 0.00 0.00 34.13 33.61 1k8o s GLU 40 CO 0.06 -0.09 -0.15 0.14 -0.54 0.00 0.00 175.26 174.68 1k8o s VAL 41 N 0.87 1.38 -0.04 3.70 -7.23 0.34 0.17 120.40 119.58 1k8o s VAL 41 Ca -0.10 -1.68 -0.02 0.00 -1.81 0.00 0.00 61.98 58.37 1k8o s VAL 41 Cb -0.13 -1.51 0.03 0.00 0.56 0.00 0.00 36.38 35.32 1k8o s VAL 41 CO -0.01 -0.36 0.05 -1.10 -0.31 0.00 0.00 175.10 173.37 1k8o s GLN 42 N -2.53 0.02 0.16 4.82 -1.52 -1.25 -0.75 119.66 118.61 1k8o s GLN 42 Ca 0.08 0.31 0.09 0.00 -1.95 0.00 0.00 55.36 53.89 1k8o s GLN 42 Cb -0.06 -0.52 -0.04 0.00 -0.22 0.00 0.00 33.01 32.17 1k8o s GLN 42 CO 0.03 -0.30 -0.19 -1.54 -0.25 0.00 0.00 175.29 173.04 1k8o s SER 43 N 1.94 2.77 0.27 5.90 1.04 -1.03 -4.71 113.70 119.89 1k8o s SER 43 Ca 0.02 -0.84 -0.01 0.00 0.48 0.00 0.00 55.95 55.60 1k8o s SER 43 Cb -0.12 -0.17 0.60 0.00 0.10 0.00 0.00 66.02 66.43 1k8o s SER 43 CO -0.03 -0.00 1.65 -0.78 0.98 0.00 0.00 173.24 175.06 1k8o h ASP 44 N 3.34 -0.08 0.17 7.02 1.82 -2.01 -2.55 116.42 124.12 1k8o h ASP 44 Ca -0.43 0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.39 1k8o h ASP 44 Cb 1.20 0.27 0.00 0.00 0.68 0.00 0.00 39.33 41.49 1k8o h ASP 44 CO 0.49 -0.14 -0.08 0.50 -1.61 0.00 0.00 179.24 178.40 1k8o h LYS 45 N 0.20 -0.22 -3.38 0.28 3.64 -2.04 -3.47 116.57 111.59 1k8o h LYS 45 Ca 0.49 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.79 1k8o h LYS 45 Cb 0.94 0.05 -0.17 0.00 -0.41 0.00 0.00 32.23 32.64 1k8o h LYS 45 CO -0.63 -0.14 -0.30 0.00 -2.27 0.00 0.00 179.45 176.10 1k8o s ALA 46 N -3.50 -0.57 -0.21 5.00 0.00 -0.96 -5.15 121.76 116.37 1k8o s ALA 46 Ca -0.03 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 1k8o s ALA 46 Cb 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.36 1k8o s ALA 46 CO 0.10 -0.38 0.15 -1.54 0.00 0.00 0.00 175.76 174.09 1k8o s SER 47 N -2.00 6.21 -0.09 0.00 1.04 -1.26 -2.45 113.70 115.15 1k8o s SER 47 Ca -0.06 0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.62 1k8o s SER 47 Cb -0.01 -2.10 -0.02 0.00 0.10 0.00 0.00 66.02 63.98 1k8o s SER 47 CO -0.03 0.15 -0.11 -0.69 0.98 0.00 0.00 173.24 173.53 1k8o s VAL 48 N 0.53 3.28 -0.07 5.02 1.01 0.07 -4.98 120.40 125.26 1k8o s VAL 48 Ca 0.09 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1k8o s VAL 48 Cb -0.12 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1k8o s VAL 48 CO -0.00 0.56 -0.14 0.42 0.00 0.00 0.00 175.10 175.95 1k8o s THR 49 N -0.33 1.26 -0.42 3.92 -4.23 -1.26 -0.51 115.64 114.07 1k8o s THR 49 Ca 0.04 -0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 59.88 1k8o s THR 49 Cb -0.13 -1.14 0.07 0.00 1.34 0.00 0.00 72.50 72.64 1k8o s THR 49 CO 0.02 0.38 0.28 -0.63 -0.54 0.00 0.00 174.62 174.14 1k8o s ILE 50 N 0.59 4.55 0.88 2.99 -1.09 -0.50 -5.03 121.20 123.60 1k8o s ILE 50 Ca -0.15 -1.20 -0.10 0.00 -2.23 0.00 0.00 60.65 56.97 1k8o s ILE 50 Cb -0.16 -3.72 0.19 0.00 -1.58 0.00 0.00 42.46 37.20 1k8o s ILE 50 CO 0.04 -0.47 1.20 0.35 -1.23 0.00 0.00 174.94 174.84 1k8o n THR 51 N 5.01 0.00 -0.05 2.92 -2.24 -1.26 -2.42 114.28 116.24 1k8o n THR 51 Ca -0.11 -1.21 -0.04 0.00 -2.27 0.00 0.00 64.05 60.42 1k8o n THR 51 Cb 0.44 -1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 67.39 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 -3.49 1.07 0.00 3.42 7.64 -1.26 -4.60 113.62 116.40 1k8o n SER 52 Ca 0.17 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1k8o n SER 52 Cb 0.58 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 -3.61 0.00 -3.71 1.43 -4.01 -1.26 -4.89 116.66 100.61 1k8o n ARG 53 Ca -0.06 0.00 0.02 0.00 -1.04 0.00 0.00 57.85 56.77 1k8o n ARG 53 Cb 0.22 -2.57 0.00 0.00 -3.04 0.00 0.00 32.46 27.07 1k8o n ARG 53 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 1k8o s TYR 54 N -3.38 -0.02 -0.23 2.89 2.02 -1.26 -4.91 117.35 112.46 1k8o s TYR 54 Ca 0.00 -0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 56.49 1k8o s TYR 54 Cb 0.00 0.55 -0.05 0.00 -0.40 0.00 0.00 41.96 42.06 1k8o s TYR 54 CO 0.00 -0.26 0.26 0.16 -1.57 0.00 0.00 175.55 174.14 1k8o s ASP 55 N -3.20 6.24 0.15 2.29 -4.77 -1.26 -3.86 116.67 112.25 1k8o s ASP 55 Ca 0.18 0.26 0.01 0.00 -3.30 0.00 0.00 52.55 49.70 1k8o s ASP 55 Cb 0.04 -2.16 -0.04 0.00 -1.09 0.00 0.00 42.92 39.67 1k8o s ASP 55 CO -0.03 -0.00 0.02 -0.83 0.70 0.00 0.00 175.17 175.03 1k8o s GLY 56 N 1.09 1.08 -0.30 2.12 0.00 -0.99 -4.74 107.32 105.58 1k8o s GLY 56 Ca 0.12 -1.52 -0.11 0.00 0.00 0.00 0.00 44.72 43.21 1k8o s GLY 56 CO 0.06 -1.45 0.19 0.14 0.00 0.00 0.00 173.10 172.04 1k8o s VAL 57 N -3.82 5.09 -0.28 1.40 1.01 -0.97 0.13 120.40 122.96 1k8o s VAL 57 Ca 0.23 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1k8o s VAL 57 Cb 0.07 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1k8o s VAL 57 CO 0.02 0.16 0.24 -0.63 0.00 0.00 0.00 175.10 174.89 1k8o s ILE 58 N 1.71 5.27 -0.07 2.22 1.01 0.25 -1.39 121.20 130.21 1k8o s ILE 58 Ca 0.06 0.24 0.15 0.00 0.00 0.00 0.00 60.65 61.11 1k8o s ILE 58 Cb -0.16 -3.58 -0.23 0.00 0.01 0.00 0.00 42.46 38.49 1k8o s ILE 58 CO 0.09 0.21 0.25 1.17 0.00 0.00 0.00 174.94 176.66 1k8o n LYS 59 N 5.13 0.87 -3.77 2.79 4.81 -1.07 0.17 118.16 127.09 1k8o n LYS 59 Ca -0.13 -0.10 -0.14 0.00 -0.87 0.00 0.00 58.31 57.08 1k8o n LYS 59 Cb 0.52 -1.38 -0.15 0.00 0.02 0.00 0.00 35.03 34.03 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 -2.85 0.05 -0.22 1.64 3.01 -1.26 -3.54 119.74 116.57 1k8o s LYS 60 Ca -0.06 0.29 -0.04 0.00 -1.01 0.00 0.00 55.97 55.15 1k8o s LYS 60 Cb 0.08 -0.18 0.07 0.00 -1.01 0.00 0.00 37.83 36.80 1k8o s LYS 60 CO 0.65 -0.15 0.08 -0.51 0.51 0.00 0.00 175.35 175.93 1k8o s LEU 61 N 1.02 0.88 -0.17 3.17 1.43 -1.26 -3.76 118.68 120.00 1k8o s LEU 61 Ca -0.08 -0.96 -0.02 0.00 -1.03 0.00 0.00 54.13 52.04 1k8o s LEU 61 Cb -0.11 -0.45 -0.23 0.00 0.03 0.00 0.00 46.19 45.43 1k8o s LEU 61 CO -0.04 -0.37 0.17 0.00 0.23 0.00 0.00 176.35 176.34 1k8o n TYR 62 N 5.15 0.79 -3.26 0.29 9.36 -1.25 -4.87 117.16 123.36 1k8o n TYR 62 Ca -0.07 0.17 -0.38 0.00 3.32 0.00 0.00 57.90 60.94 1k8o n TYR 62 Cb 0.46 -1.11 -0.06 0.00 -0.63 0.00 0.00 39.34 38.01 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 -2.55 3.65 0.06 2.98 2.02 -1.26 -5.01 117.35 117.24 1k8o s TYR 63 Ca -0.25 1.11 0.00 0.00 -0.37 0.00 0.00 57.07 57.56 1k8o s TYR 63 Cb 0.07 -2.56 0.00 0.00 -0.40 0.00 0.00 41.96 39.08 1k8o s TYR 63 CO 0.72 0.34 0.03 0.09 -1.57 0.00 0.00 175.55 175.16 1k8o n ASN 64 N 2.84 1.58 0.26 2.29 4.13 -1.26 -4.94 115.26 120.15 1k8o n ASN 64 Ca -0.08 -1.22 0.17 0.00 1.68 0.00 0.00 54.58 55.14 1k8o n ASN 64 Cb 0.51 0.01 0.93 0.00 -1.54 0.00 0.00 39.78 39.70 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 -1.94 -2.47 115.31 117.69 1k8o h LEU 65 Ca -0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1k8o h LEU 65 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1k8o h LEU 65 CO 0.07 0.00 -1.76 0.47 0.09 0.00 0.00 178.44 177.30 1k8o n ASP 66 N -2.71 1.88 -4.81 -0.43 9.92 -1.26 -3.95 116.55 115.19 1k8o n ASP 66 Ca -0.02 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.91 1k8o n ASP 66 Cb 0.07 1.16 -0.02 0.00 -0.64 0.00 0.00 41.12 41.70 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 -4.13 6.15 -0.01 -2.24 1.11 -0.93 -4.81 116.67 111.81 1k8o s ASP 67 Ca -0.06 1.82 0.03 0.00 0.18 0.00 0.00 52.55 54.52 1k8o s ASP 67 Cb 0.06 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.48 1k8o s ASP 67 CO 0.54 -0.91 -0.07 -0.63 1.18 0.00 0.00 175.17 175.28 1k8o s ILE 68 N -2.28 3.66 0.23 0.77 -1.09 -1.26 -2.66 121.20 118.57 1k8o s ILE 68 Ca 0.64 -0.71 0.11 0.00 -2.23 0.00 0.00 60.65 58.45 1k8o s ILE 68 Cb -0.15 -2.57 -0.05 0.00 -1.58 0.00 0.00 42.46 38.11 1k8o s ILE 68 CO 0.29 0.43 -0.14 0.00 -1.23 0.00 0.00 174.94 174.29 1k8o s ALA 69 N -0.96 2.84 0.01 9.38 0.00 -0.07 -4.91 121.76 128.06 1k8o s ALA 69 Ca 0.16 -1.67 0.05 0.00 0.00 0.00 0.00 51.96 50.50 1k8o s ALA 69 Cb -0.11 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 1k8o s ALA 69 CO 0.06 0.36 -0.16 1.52 0.00 0.00 0.00 175.76 177.54 1k8o s TYR 70 N -2.07 1.42 0.31 0.00 1.13 -1.26 -2.76 117.35 114.12 1k8o s TYR 70 Ca 0.27 -0.31 -0.29 0.00 -1.41 0.00 0.00 57.07 55.33 1k8o s TYR 70 Cb -0.07 -0.88 -0.10 0.00 -1.10 0.00 0.00 41.96 39.80 1k8o s TYR 70 CO 0.15 0.01 1.39 0.08 -2.51 0.00 0.00 175.55 174.68 1k8o s VAL 71 N -0.58 2.55 0.00 -3.49 1.01 -1.25 -3.91 120.40 114.72 1k8o s VAL 71 Ca 0.05 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1k8o s VAL 71 Cb -0.07 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1k8o s VAL 71 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1k8o n GLY 72 N 1.21 0.86 3.50 4.51 0.00 -1.26 -4.67 105.19 109.33 1k8o n GLY 72 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.58 0.40 1.61 2.20 -1.25 -5.15 119.74 118.14 1k8o s LYS 73 Ca 0.00 1.07 -0.26 0.00 -0.36 0.00 0.00 55.97 56.42 1k8o s LYS 73 Cb 0.00 0.11 -0.09 0.00 -1.51 0.00 0.00 37.83 36.34 1k8o s LYS 73 CO 0.00 -0.16 1.33 -2.14 -0.36 0.00 0.00 175.35 174.02 1k8o s PRO 74 N 1.61 3.96 -0.15 4.03 0.02 -1.26 -4.24 135.00 138.98 1k8o s PRO 74 Ca -0.10 2.21 0.09 0.00 0.02 0.00 0.00 61.00 63.22 1k8o s PRO 74 Cb -0.07 -2.77 -0.15 0.00 0.02 0.00 0.00 34.50 31.53 1k8o s PRO 74 CO -0.17 -0.51 -0.02 1.47 -0.33 0.00 0.00 177.00 177.44 1k8o n LEU 75 N 0.15 0.98 -3.90 -5.54 -0.00 -0.16 -4.94 117.00 103.58 1k8o n LEU 75 Ca 0.03 -0.03 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1k8o n LEU 75 Cb 0.43 0.03 -0.13 0.00 -0.00 0.00 0.00 43.42 43.75 1k8o n LEU 75 CO 0.57 0.48 -0.34 0.54 -0.00 0.00 0.00 177.39 178.64 1k8o s VAL 76 N -2.33 0.04 -0.19 1.47 0.11 -1.10 -3.83 120.40 114.57 1k8o s VAL 76 Ca -0.12 -0.34 -0.05 0.00 -2.93 0.00 0.00 61.98 58.54 1k8o s VAL 76 Cb 0.05 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.74 1k8o s VAL 76 CO 0.50 -0.19 -0.00 -1.81 -3.33 0.00 0.00 175.10 170.27 1k8o s ASP 77 N -0.55 4.88 0.04 3.54 1.01 -1.25 -0.07 116.67 124.27 1k8o s ASP 77 Ca -0.06 -0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.07 1k8o s ASP 77 Cb -0.04 -1.82 -0.02 0.00 1.01 0.00 0.00 42.92 42.05 1k8o s ASP 77 CO -0.00 0.10 -0.10 -0.63 0.21 0.00 0.00 175.17 174.75 1k8o s ILE 78 N 0.79 0.73 -0.37 0.77 1.09 0.12 -2.60 121.20 121.72 1k8o s ILE 78 Ca 0.00 -0.97 -0.15 0.00 -1.10 0.00 0.00 60.65 58.44 1k8o s ILE 78 Cb -0.14 -0.73 -0.00 0.00 -1.06 0.00 0.00 42.46 40.53 1k8o s ILE 78 CO 0.02 -0.20 0.33 -0.70 -0.10 0.00 0.00 174.94 174.29 1k8o s GLU 79 N -1.29 3.33 0.05 2.79 2.12 -0.48 0.22 118.70 125.44 1k8o s GLU 79 Ca -0.04 -0.67 -0.04 0.00 0.36 0.00 0.00 54.97 54.57 1k8o s GLU 79 Cb -0.08 -3.87 -0.02 0.00 0.26 0.00 0.00 34.13 30.42 1k8o s GLU 79 CO 0.01 -0.61 0.07 0.95 -0.54 0.00 0.00 175.26 175.14 1k8o s THR 80 N 1.88 0.16 0.76 -1.70 -4.23 -1.26 -2.30 115.64 108.94 1k8o s THR 80 Ca 0.09 -1.33 -0.15 0.00 -1.18 0.00 0.00 61.69 59.12 1k8o s THR 80 Cb -0.17 -1.15 0.03 0.00 1.34 0.00 0.00 72.50 72.54 1k8o s THR 80 CO 0.11 -0.73 0.99 1.21 -0.54 0.00 0.00 174.62 175.66 1k8o n GLU 81 N 0.43 0.37 -1.16 3.99 2.13 -1.26 -4.69 120.64 120.45 1k8o n GLU 81 Ca -0.17 0.19 -0.54 0.00 0.66 0.00 0.00 57.16 57.30 1k8o n GLU 81 Cb 0.60 -2.25 -0.11 0.00 0.27 0.00 0.00 31.44 29.95 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 -2.77 0.07 -2.43 4.31 0.00 -1.26 -4.92 120.51 113.50 1k8o n ALA 82 Ca 0.13 0.20 -0.27 0.00 0.00 0.00 0.00 53.44 53.49 1k8o n ALA 82 Cb 0.50 -1.85 -0.15 0.00 0.00 0.00 0.00 19.45 17.95 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 5.13 2.11 0.63 0.00 1.02 -1.26 -5.01 118.68 121.30 1k8o s LEU 83 Ca 1.06 -0.47 0.36 0.00 0.02 0.00 0.00 54.13 55.10 1k8o s LEU 83 Cb -1.34 -1.07 2.00 0.00 0.02 0.00 0.00 46.19 45.80 1k8o s LEU 83 CO 0.60 0.22 2.21 0.07 0.02 0.00 0.00 176.35 179.48 1k8o h LYS 84 N 5.21 0.00 -0.86 1.70 5.09 -1.92 -2.57 116.57 123.22 1k8o h LYS 84 Ca -0.42 0.00 0.18 0.00 0.09 0.00 0.00 60.65 60.51 1k8o h LYS 84 Cb 1.15 0.00 -0.16 0.00 0.10 0.00 0.00 32.23 33.31 1k8o h LYS 84 CO 0.46 0.00 -0.18 -0.25 -2.09 0.00 0.00 179.45 177.39 1k8o n ASP 85 N -3.37 -0.28 0.00 7.07 9.92 -1.26 -3.12 116.55 125.51 1k8o n ASP 85 Ca -0.02 1.48 0.00 0.00 -0.53 0.00 0.00 54.79 55.73 1k8o n ASP 85 Cb 0.19 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 1k8o n ASP 85 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1k8o n LEU 86 N -5.38 0.00 0.00 0.64 4.77 -1.17 -5.06 117.00 110.79 1k8o n LEU 86 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1k8o n LEU 86 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1k8o n LEU 86 CO -0.10 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.34