#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 0.52 3.05 3.03 0.00 -1.26 -5.05 105.19 105.48 1k8o n GLY 2 Ca 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.19 0.44 0.04 1.61 -0.21 -1.26 -5.16 119.66 113.92 1k8o s GLN 3 Ca 0.00 -0.67 0.06 0.00 0.02 0.00 0.00 55.36 54.77 1k8o s GLN 3 Cb 0.00 0.16 -0.03 0.00 1.00 0.00 0.00 33.01 34.14 1k8o s GLN 3 CO 0.00 -0.09 -0.12 0.14 -2.12 0.00 0.00 175.29 173.10 1k8o s VAL 4 N -1.96 3.23 -0.20 1.09 -7.23 -1.26 -4.53 120.40 109.53 1k8o s VAL 4 Ca -0.11 -1.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.91 1k8o s VAL 4 Cb -0.06 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 1k8o s VAL 4 CO -0.02 0.33 0.20 0.68 -0.31 0.00 0.00 175.10 175.97 1k8o s VAL 5 N -1.00 5.35 -0.02 1.32 -7.23 0.55 -4.79 120.40 114.59 1k8o s VAL 5 Ca 0.17 0.32 -0.01 0.00 -1.81 0.00 0.00 61.98 60.64 1k8o s VAL 5 Cb -0.11 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.25 1k8o s VAL 5 CO 0.07 0.39 0.09 -1.10 -0.31 0.00 0.00 175.10 174.24 1k8o s GLN 6 N 0.66 3.14 -0.09 4.82 1.11 -1.26 -0.68 119.66 127.35 1k8o s GLN 6 Ca 0.11 -0.44 -0.04 0.00 0.01 0.00 0.00 55.36 55.00 1k8o s GLN 6 Cb -0.12 -2.91 -0.04 0.00 -1.01 0.00 0.00 33.01 28.93 1k8o s GLN 6 CO 0.02 0.66 0.07 0.12 0.01 0.00 0.00 175.29 176.17 1k8o s PHE 7 N -1.19 3.38 0.04 0.91 5.36 -0.16 -4.94 117.98 121.38 1k8o s PHE 7 Ca 0.22 0.35 0.07 0.00 -0.96 0.00 0.00 56.93 56.61 1k8o s PHE 7 Cb -0.12 -1.85 -0.02 0.00 -0.34 0.00 0.00 43.02 40.68 1k8o s PHE 7 CO 0.13 0.60 -0.19 -1.59 -1.46 0.00 0.00 175.22 172.71 1k8o s LYS 8 N -1.03 1.30 -0.27 10.12 -2.85 -1.26 0.33 119.74 126.09 1k8o s LYS 8 Ca 0.15 -0.91 -0.36 0.00 -1.00 0.00 0.00 55.97 53.85 1k8o s LYS 8 Cb -0.12 -1.40 -0.12 0.00 -2.06 0.00 0.00 37.83 34.13 1k8o s LYS 8 CO 0.04 0.36 2.01 -0.11 0.10 0.00 0.00 175.35 177.75 1k8o n LEU 9 N 1.86 2.53 -3.67 2.77 -0.00 -1.26 -4.93 117.00 114.30 1k8o n LEU 9 Ca -0.17 0.70 -0.17 0.00 -0.00 0.00 0.00 56.01 56.36 1k8o n LEU 9 Cb 0.54 -1.26 -0.16 0.00 -0.00 0.00 0.00 43.42 42.53 1k8o n LEU 9 CO 0.23 -0.49 -0.26 -0.55 -0.00 0.00 0.00 177.39 176.31 1k8o s SER 10 N 5.66 0.82 0.00 1.96 0.15 -1.26 -4.16 113.70 116.87 1k8o s SER 10 Ca 1.03 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.95 1k8o s SER 10 Cb -0.86 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 1k8o s SER 10 CO 0.54 -0.24 0.00 -0.90 1.20 0.00 0.00 173.24 173.83 1k8o n ASP 11 N 5.28 0.00 0.00 5.45 5.75 -1.26 -5.00 116.55 126.77 1k8o n ASP 11 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1k8o n ASP 11 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1k8o n ASP 11 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1k8o n ILE 12 N 0.00 0.00 -3.95 2.12 -0.00 -1.26 -4.95 119.36 111.32 1k8o n ILE 12 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.66 1k8o n ILE 12 Cb 0.00 -0.20 -0.04 0.00 -0.00 0.00 0.00 39.64 39.40 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 0.00 0.40 -0.72 3.28 0.00 -1.26 -5.02 107.32 104.00 1k8o s GLY 13 Ca 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 44.72 43.92 1k8o s GLY 13 CO 0.00 -0.47 2.85 1.18 0.00 0.00 0.00 173.10 176.66 1k8o n GLU 14 N -0.43 3.04 0.00 2.90 1.02 -1.26 -4.00 120.64 121.92 1k8o n GLU 14 Ca -0.03 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.74 1k8o n GLU 14 Cb 0.61 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1k8o n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k8o n GLY 15 N 1.68 0.34 0.00 0.62 0.00 -1.26 -5.04 105.19 101.53 1k8o n GLY 15 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.33 -0.61 -6.64 -1.26 -4.97 119.36 104.55 1k8o n ILE 16 Ca 0.00 0.00 -0.36 0.00 -1.77 0.00 0.00 62.75 60.62 1k8o n ILE 16 Cb 0.00 -1.15 0.08 0.00 -1.44 0.00 0.00 39.64 37.13 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 -1.02 0.45 -2.93 6.28 0.63 -1.26 -4.86 116.66 113.96 1k8o n ARG 17 Ca 0.00 0.21 -0.19 0.00 -0.92 0.00 0.00 57.85 56.95 1k8o n ARG 17 Cb 0.00 -2.12 0.04 0.00 0.45 0.00 0.00 32.46 30.83 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 -3.17 2.53 0.13 -0.14 8.01 -1.26 -4.60 118.70 120.19 1k8o s GLU 18 Ca 0.71 -1.29 0.06 0.00 0.01 0.00 0.00 54.97 54.46 1k8o s GLU 18 Cb -0.35 -2.65 -0.04 0.00 -4.31 0.00 0.00 34.13 26.78 1k8o s GLU 18 CO 0.52 -0.61 -0.14 0.54 0.01 0.00 0.00 175.26 175.58 1k8o s VAL 19 N -2.57 1.33 0.25 2.63 0.11 -1.13 -4.95 120.40 116.07 1k8o s VAL 19 Ca 0.58 -1.75 0.04 0.00 -2.93 0.00 0.00 61.98 57.93 1k8o s VAL 19 Cb -0.08 -1.56 -0.03 0.00 -1.53 0.00 0.00 36.38 33.18 1k8o s VAL 19 CO 0.37 -0.44 0.38 -0.89 -3.33 0.00 0.00 175.10 171.19 1k8o s THR 20 N -2.22 5.24 0.00 5.04 2.01 -1.26 0.34 115.64 124.79 1k8o s THR 20 Ca 0.10 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 1k8o s THR 20 Cb -0.04 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1k8o s THR 20 CO 0.03 -0.33 0.99 -0.69 -0.69 0.00 0.00 174.62 173.92 1k8o s VAL 21 N -2.00 4.84 -0.16 3.82 1.01 -1.07 -3.82 120.40 123.02 1k8o s VAL 21 Ca 0.35 2.04 0.02 0.00 0.00 0.00 0.00 61.98 64.39 1k8o s VAL 21 Cb -0.09 -4.31 -0.23 0.00 0.00 0.00 0.00 36.38 31.75 1k8o s VAL 21 CO 0.30 0.16 0.18 1.17 0.00 0.00 0.00 175.10 176.91 1k8o n LYS 22 N 3.91 0.70 -4.06 2.72 4.81 0.27 -4.08 118.16 122.42 1k8o n LYS 22 Ca 0.06 0.20 -0.18 0.00 -0.87 0.00 0.00 58.31 57.52 1k8o n LYS 22 Cb 0.51 -1.64 -0.16 0.00 0.02 0.00 0.00 35.03 33.76 1k8o n LYS 22 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1k8o s GLU 23 N -2.54 0.56 -0.13 1.64 2.02 -0.54 -4.95 118.70 114.76 1k8o s GLU 23 Ca -0.23 -0.03 0.01 0.00 0.02 0.00 0.00 54.97 54.74 1k8o s GLU 23 Cb 0.07 -0.64 0.02 0.00 0.10 0.00 0.00 34.13 33.68 1k8o s GLU 23 CO 0.73 -0.09 -0.14 -1.58 0.02 0.00 0.00 175.26 174.20 1k8o s TRP 24 N 0.89 2.04 -0.19 1.61 0.23 -1.26 -1.42 118.94 120.85 1k8o s TRP 24 Ca -0.10 -1.08 0.18 0.00 -2.03 0.00 0.00 56.10 53.07 1k8o s TRP 24 Cb -0.14 -1.50 0.46 0.00 0.03 0.00 0.00 33.47 32.32 1k8o s TRP 24 CO -0.01 -0.59 1.16 0.66 0.96 0.00 0.00 176.95 179.14 1k8o n TYR 25 N 4.58 1.00 -3.53 -1.98 4.02 -1.10 -5.07 117.16 115.09 1k8o n TYR 25 Ca -0.17 -1.59 -0.13 0.00 -0.01 0.00 0.00 57.90 56.00 1k8o n TYR 25 Cb 0.50 -0.23 -0.04 0.00 -0.02 0.00 0.00 39.34 39.55 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 -2.82 0.02 0.20 -0.72 -7.23 -1.26 -4.59 120.40 104.00 1k8o s VAL 26 Ca 0.36 -0.20 0.01 0.00 -1.81 0.00 0.00 61.98 60.34 1k8o s VAL 26 Cb 0.37 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 36.24 1k8o s VAL 26 CO -0.06 -0.11 0.05 -0.54 -0.31 0.00 0.00 175.10 174.13 1k8o s LYS 27 N -3.04 1.20 0.29 4.82 1.02 -1.26 -5.04 119.74 117.72 1k8o s LYS 27 Ca -0.02 -1.61 -0.30 0.00 0.02 0.00 0.00 55.97 54.06 1k8o s LYS 27 Cb -0.00 -0.15 -0.12 0.00 -0.52 0.00 0.00 37.83 37.04 1k8o s LYS 27 CO -0.07 -0.23 1.56 0.39 -0.92 0.00 0.00 175.35 176.09 1k8o n GLU 28 N -0.30 2.59 -0.89 1.68 1.02 -1.26 -1.11 120.64 122.36 1k8o n GLU 28 Ca -0.03 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 1k8o n GLU 28 Cb 0.65 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 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 2.12 0.54 3.92 0.62 0.00 0.45 -4.88 105.19 107.97 1k8o n GLY 29 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.43 6.39 0.12 1.61 1.11 0.66 -4.79 116.67 119.34 1k8o s ASP 30 Ca 0.00 0.42 0.01 0.00 0.18 0.00 0.00 52.55 53.15 1k8o s ASP 30 Cb 0.00 -2.02 -0.04 0.00 1.07 0.00 0.00 42.92 41.93 1k8o s ASP 30 CO 0.00 -0.04 0.27 -0.89 1.18 0.00 0.00 175.17 175.70 1k8o s THR 31 N -1.85 5.32 0.20 -1.27 2.01 -1.26 0.16 115.64 118.94 1k8o s THR 31 Ca 0.39 -0.48 0.07 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 68.67 1k8o s THR 31 CO 0.29 -0.00 0.06 0.68 -0.69 0.00 0.00 174.62 174.96 1k8o s VAL 32 N -1.66 3.97 0.10 3.82 -7.23 0.43 -4.88 120.40 114.94 1k8o s VAL 32 Ca 0.36 -1.41 -0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1k8o s VAL 32 Cb -0.12 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 1k8o s VAL 32 CO 0.28 -0.18 -0.00 -0.44 -0.31 0.00 0.00 175.10 174.45 1k8o s SER 33 N -3.22 0.60 0.61 4.85 0.01 -1.23 -2.17 113.70 113.16 1k8o s SER 33 Ca 0.30 -1.09 0.28 0.00 1.31 0.00 0.00 55.95 56.74 1k8o s SER 33 Cb -0.09 0.21 1.40 0.00 0.21 0.00 0.00 66.02 67.75 1k8o s SER 33 CO 0.21 -0.62 1.81 -0.61 0.41 0.00 0.00 173.24 174.43 1k8o h GLN 34 N 2.97 0.00 0.00 12.44 4.15 -1.92 0.53 115.11 133.28 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 0.63 0.00 -1.46 1.19 -1.93 0.00 0.00 178.83 177.26 1k8o n PHE 35 N -3.41 0.21 -3.57 3.99 3.01 -1.26 -4.53 117.46 111.89 1k8o n PHE 35 Ca 0.07 0.06 -0.40 0.00 1.01 0.00 0.00 57.45 58.18 1k8o n PHE 35 Cb 0.69 -0.48 -0.09 0.00 -0.01 0.00 0.00 39.48 39.60 1k8o n PHE 35 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1k8o s ASP 36 N -4.26 5.67 0.79 4.37 2.15 0.19 -5.06 116.67 120.52 1k8o s ASP 36 Ca -0.02 -1.98 -0.11 0.00 0.43 0.00 0.00 52.55 50.88 1k8o s ASP 36 Cb 0.14 -1.99 0.07 0.00 -0.30 0.00 0.00 42.92 40.83 1k8o s ASP 36 CO 0.86 -0.67 1.11 -0.44 -0.17 0.00 0.00 175.17 175.86 1k8o s SER 37 N 2.52 4.24 0.00 -0.34 0.01 -1.26 -3.50 113.70 115.37 1k8o s SER 37 Ca 0.07 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.25 1k8o s SER 37 Cb -0.25 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1k8o s SER 37 CO -0.01 -2.21 0.00 -0.38 0.41 0.00 0.00 173.24 171.04 1k8o n ILE 38 N -3.55 0.00 -4.71 1.44 5.41 -1.00 -3.97 119.36 112.98 1k8o n ILE 38 Ca 0.10 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.56 1k8o n ILE 38 Cb 0.53 -0.44 -0.14 0.00 -0.71 0.00 0.00 39.64 38.88 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 -1.46 -0.04 0.16 0.00 8.01 -0.51 -1.38 118.70 123.48 1k8o s GLU 40 Ca 0.11 0.30 0.08 0.00 0.01 0.00 0.00 54.97 55.47 1k8o s GLU 40 Cb -0.10 -0.36 -0.04 0.00 -4.31 0.00 0.00 34.13 29.32 1k8o s GLU 40 CO 0.03 -0.25 -0.16 0.14 0.01 0.00 0.00 175.26 175.03 1k8o s VAL 41 N 1.62 1.66 -0.03 2.63 -7.23 -0.63 0.98 120.40 119.40 1k8o s VAL 41 Ca -0.02 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 1k8o s VAL 41 Cb -0.12 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.01 1k8o s VAL 41 CO -0.03 -0.42 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.13 1k8o s GLN 42 N -2.98 1.13 0.10 4.82 -0.21 -1.25 -1.03 119.66 120.24 1k8o s GLN 42 Ca 0.16 -0.39 0.07 0.00 0.02 0.00 0.00 55.36 55.22 1k8o s GLN 42 Cb -0.04 -1.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.89 1k8o s GLN 42 CO 0.06 0.16 -0.11 0.45 -2.12 0.00 0.00 175.29 173.72 1k8o s SER 43 N 0.09 4.31 0.51 5.90 0.15 0.22 -4.67 113.70 120.22 1k8o s SER 43 Ca -0.02 -0.40 0.30 0.00 0.70 0.00 0.00 55.95 56.53 1k8o s SER 43 Cb -0.09 -0.79 1.43 0.00 -1.71 0.00 0.00 66.02 64.86 1k8o s SER 43 CO 0.01 0.19 1.86 0.44 1.20 0.00 0.00 173.24 176.93 1k8o h ASP 44 N 3.70 0.08 0.07 5.45 3.32 -2.00 -1.71 116.42 125.33 1k8o h ASP 44 Ca -0.49 0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.35 1k8o h ASP 44 Cb 1.17 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1k8o h ASP 44 CO 0.51 0.02 -1.15 0.07 -1.72 0.00 0.00 179.24 176.97 1k8o h LYS 45 N 0.07 0.14 -3.66 3.56 2.10 -1.98 -3.49 116.57 113.33 1k8o h LYS 45 Ca 0.48 -0.24 -0.08 0.00 -2.00 0.00 0.00 60.65 58.80 1k8o h LYS 45 Cb 1.76 0.09 -0.14 0.00 -0.90 0.00 0.00 32.23 33.04 1k8o h LYS 45 CO -0.05 1.12 -0.30 0.00 -2.00 0.00 0.00 179.45 178.22 1k8o s ALA 46 N -2.41 -0.43 -0.08 0.07 0.00 -0.64 -5.16 121.76 113.11 1k8o s ALA 46 Ca -0.22 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1k8o s ALA 46 Cb 0.04 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 1k8o s ALA 46 CO 0.71 -0.52 -0.08 -1.54 0.00 0.00 0.00 175.76 174.33 1k8o s SER 47 N -2.72 4.50 -0.00 0.00 1.04 -1.26 0.72 113.70 115.98 1k8o s SER 47 Ca 0.03 -0.09 0.05 0.00 0.48 0.00 0.00 55.95 56.42 1k8o s SER 47 Cb 0.03 -1.22 -0.01 0.00 0.10 0.00 0.00 66.02 64.92 1k8o s SER 47 CO -0.10 0.32 -0.16 0.68 0.98 0.00 0.00 173.24 174.96 1k8o s VAL 48 N -0.57 1.26 -0.04 5.02 -7.23 -0.20 -4.94 120.40 113.70 1k8o s VAL 48 Ca 0.08 -0.74 0.02 0.00 -1.81 0.00 0.00 61.98 59.53 1k8o s VAL 48 Cb -0.12 -1.06 0.01 0.00 0.56 0.00 0.00 36.38 35.78 1k8o s VAL 48 CO 0.02 0.31 -0.08 0.42 -0.31 0.00 0.00 175.10 175.46 1k8o s THR 49 N -0.45 0.75 -0.47 5.32 -4.23 -1.26 -1.61 115.64 113.69 1k8o s THR 49 Ca 0.06 -0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 60.12 1k8o s THR 49 Cb -0.06 -0.71 0.06 0.00 1.34 0.00 0.00 72.50 73.12 1k8o s THR 49 CO -0.00 0.26 0.42 -0.63 -0.54 0.00 0.00 174.62 174.13 1k8o s ILE 50 N 0.60 5.17 0.91 2.99 -1.09 -0.48 -5.01 121.20 124.29 1k8o s ILE 50 Ca -0.10 -0.89 -0.16 0.00 -2.23 0.00 0.00 60.65 57.28 1k8o s ILE 50 Cb -0.13 -4.13 0.21 0.00 -1.58 0.00 0.00 42.46 36.83 1k8o s ILE 50 CO 0.01 -0.58 1.23 0.35 -1.23 0.00 0.00 174.94 174.73 1k8o n THR 51 N 5.28 0.00 -0.08 2.92 -2.24 -1.26 -2.37 114.28 116.53 1k8o n THR 51 Ca -0.11 -0.90 -0.08 0.00 -2.27 0.00 0.00 64.05 60.69 1k8o n THR 51 Cb 0.45 -1.54 -0.03 0.00 -2.10 0.00 0.00 70.33 67.11 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 -3.81 1.81 0.00 3.42 7.64 -1.26 -4.56 113.62 116.86 1k8o n SER 52 Ca 0.15 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1k8o n SER 52 Cb 0.54 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -4.38 -1.07 -3.59 1.43 0.00 -1.26 -4.84 116.66 102.94 1k8o n ARG 53 Ca -0.12 0.27 0.03 0.00 -0.00 0.00 0.00 57.85 58.02 1k8o n ARG 53 Cb 0.44 -4.37 -0.00 0.00 -0.00 0.00 0.00 32.46 28.53 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 -1.39 -0.02 -0.26 2.89 2.02 -1.26 -4.94 117.35 114.39 1k8o s TYR 54 Ca 0.00 -0.03 -0.11 0.00 -0.37 0.00 0.00 57.07 56.57 1k8o s TYR 54 Cb 0.00 0.52 -0.05 0.00 -0.40 0.00 0.00 41.96 42.03 1k8o s TYR 54 CO 0.00 -0.13 0.17 0.16 -1.57 0.00 0.00 175.55 174.17 1k8o s ASP 55 N -2.96 6.04 0.16 2.29 -4.77 -1.26 -3.86 116.67 112.30 1k8o s ASP 55 Ca 0.14 0.05 0.01 0.00 -3.30 0.00 0.00 52.55 49.46 1k8o s ASP 55 Cb 0.06 -2.10 -0.04 0.00 -1.09 0.00 0.00 42.92 39.74 1k8o s ASP 55 CO -0.05 0.02 0.00 -0.83 0.70 0.00 0.00 175.17 175.01 1k8o s GLY 56 N 1.36 1.12 -0.25 2.12 0.00 -0.92 -4.73 107.32 106.02 1k8o s GLY 56 Ca 0.07 -1.54 -0.08 0.00 0.00 0.00 0.00 44.72 43.17 1k8o s GLY 56 CO 0.07 -1.49 0.09 0.14 0.00 0.00 0.00 173.10 171.92 1k8o s VAL 57 N -3.73 4.58 -0.21 1.40 1.01 -0.87 0.16 120.40 122.75 1k8o s VAL 57 Ca 0.22 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1k8o s VAL 57 Cb 0.06 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1k8o s VAL 57 CO 0.02 0.34 0.19 -0.63 0.00 0.00 0.00 175.10 175.03 1k8o s ILE 58 N 1.47 5.35 -0.22 2.22 1.01 0.41 -0.76 121.20 130.69 1k8o s ILE 58 Ca 0.06 0.29 0.06 0.00 0.00 0.00 0.00 60.65 61.06 1k8o s ILE 58 Cb -0.15 -3.53 -0.20 0.00 0.01 0.00 0.00 42.46 38.59 1k8o s ILE 58 CO 0.05 0.37 -0.06 1.17 0.00 0.00 0.00 174.94 176.47 1k8o n LYS 59 N 3.98 0.67 -3.75 2.79 4.81 -1.06 0.17 118.16 125.78 1k8o n LYS 59 Ca -0.14 0.12 -0.13 0.00 -0.87 0.00 0.00 58.31 57.29 1k8o n LYS 59 Cb 0.52 -1.55 -0.09 0.00 0.02 0.00 0.00 35.03 33.93 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 -2.52 0.56 -0.02 1.64 0.00 -1.26 -1.50 119.74 116.64 1k8o s LYS 60 Ca -0.26 0.19 0.02 0.00 0.00 0.00 0.00 55.97 55.91 1k8o s LYS 60 Cb 0.08 0.26 0.01 0.00 0.00 0.00 0.00 37.83 38.17 1k8o s LYS 60 CO 0.68 -0.12 -0.05 -0.51 0.00 0.00 0.00 175.35 175.35 1k8o s LEU 61 N -0.54 1.75 -0.07 2.77 1.43 -1.26 -3.84 118.68 118.92 1k8o s LEU 61 Ca -0.06 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1k8o s LEU 61 Cb -0.04 -0.35 -0.04 0.00 0.03 0.00 0.00 46.19 45.80 1k8o s LEU 61 CO 0.03 0.03 -0.08 0.00 0.23 0.00 0.00 176.35 176.55 1k8o n TYR 62 N 3.34 0.00 -2.98 0.29 4.19 -1.26 -4.91 117.16 115.83 1k8o n TYR 62 Ca -0.18 0.00 -0.40 0.00 3.31 0.00 0.00 57.90 60.64 1k8o n TYR 62 Cb 0.55 -0.26 -0.06 0.00 0.49 0.00 0.00 39.34 40.07 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 -2.13 3.83 0.27 2.98 2.02 -1.26 -5.01 117.35 118.05 1k8o s TYR 63 Ca -0.10 1.56 0.01 0.00 -0.37 0.00 0.00 57.07 58.17 1k8o s TYR 63 Cb 0.03 -2.79 0.01 0.00 -0.40 0.00 0.00 41.96 38.81 1k8o s TYR 63 CO 0.14 0.41 0.06 0.09 -1.57 0.00 0.00 175.55 174.67 1k8o n ASN 64 N 2.14 2.52 0.32 2.29 4.13 -1.26 -4.94 115.26 120.45 1k8o n ASN 64 Ca -0.04 -2.12 0.16 0.00 1.68 0.00 0.00 54.58 54.26 1k8o n ASN 64 Cb 0.49 0.13 0.83 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 -1.93 -1.83 115.31 118.34 1k8o h LEU 65 Ca -0.21 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.58 1k8o h LEU 65 Cb 0.66 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1k8o h LEU 65 CO 0.34 0.00 -1.86 0.47 0.09 0.00 0.00 178.44 177.48 1k8o n ASP 66 N -2.98 1.63 -4.80 -0.43 9.92 -1.26 -4.08 116.55 114.54 1k8o n ASP 66 Ca -0.01 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.91 1k8o n ASP 66 Cb 0.38 1.08 -0.02 0.00 -0.64 0.00 0.00 41.12 41.93 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 -4.39 6.20 -0.13 -2.24 1.01 -0.69 -4.82 116.67 111.60 1k8o s ASP 67 Ca -0.06 1.86 -0.05 0.00 0.71 0.00 0.00 52.55 55.01 1k8o s ASP 67 Cb 0.06 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 1k8o s ASP 67 CO 0.58 -0.88 0.05 -0.63 0.21 0.00 0.00 175.17 174.49 1k8o s ILE 68 N -2.18 4.68 0.04 0.77 -1.09 -1.26 -2.60 121.20 119.54 1k8o s ILE 68 Ca 0.65 -0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.98 1k8o s ILE 68 Cb -0.16 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.65 1k8o s ILE 68 CO 0.26 0.55 0.15 0.00 -1.23 0.00 0.00 174.94 174.67 1k8o s ALA 69 N -0.38 3.80 0.04 9.38 0.00 0.15 -4.90 121.76 129.86 1k8o s ALA 69 Ca 0.09 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1k8o s ALA 69 Cb -0.12 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1k8o s ALA 69 CO 0.02 0.76 0.14 0.71 0.00 0.00 0.00 175.76 177.39 1k8o s TYR 70 N -1.37 3.38 -0.11 0.00 1.51 -1.26 -2.82 117.35 116.67 1k8o s TYR 70 Ca 0.29 0.21 -0.24 0.00 -1.01 0.00 0.00 57.07 56.32 1k8o s TYR 70 Cb -0.13 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 1k8o s TYR 70 CO 0.22 0.57 0.73 0.08 -1.11 0.00 0.00 175.55 176.03 1k8o s VAL 71 N -1.38 5.00 0.00 0.71 1.01 -1.26 -4.09 120.40 120.39 1k8o s VAL 71 Ca 0.30 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1k8o s VAL 71 Cb -0.12 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1k8o s VAL 71 CO 0.22 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1k8o n GLY 72 N 3.31 1.38 3.50 4.51 0.00 -1.26 -4.57 105.19 112.07 1k8o n GLY 72 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.01 0.65 0.91 1.61 2.47 -1.26 -5.13 119.74 118.98 1k8o s LYS 73 Ca 0.00 0.95 -0.11 0.00 -1.56 0.00 0.00 55.97 55.25 1k8o s LYS 73 Cb 0.00 0.21 0.12 0.00 -1.46 0.00 0.00 37.83 36.70 1k8o s LYS 73 CO 0.00 -0.12 1.01 -2.30 0.16 0.00 0.00 175.35 174.10 1k8o n PRO 74 N 3.52 -0.35 0.00 4.03 -0.02 -1.26 -4.03 135.00 136.88 1k8o n PRO 74 Ca -0.17 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1k8o n PRO 74 Cb 0.57 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 -3.56 0.94 -4.13 2.45 -0.00 0.15 -4.89 117.00 107.95 1k8o n LEU 75 Ca 0.11 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.97 1k8o n LEU 75 Cb 0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.83 1k8o n LEU 75 CO 0.49 0.16 -0.43 0.54 -0.00 0.00 0.00 177.39 178.15 1k8o s VAL 76 N -1.59 0.86 -0.13 1.47 0.11 -1.08 -4.30 120.40 115.74 1k8o s VAL 76 Ca 0.00 -1.29 0.01 0.00 -2.93 0.00 0.00 61.98 57.77 1k8o s VAL 76 Cb 0.00 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 1k8o s VAL 76 CO 0.00 -0.36 -0.17 -1.81 -3.33 0.00 0.00 175.10 169.43 1k8o s ASP 77 N -1.83 3.60 0.02 3.54 1.01 -1.25 -0.99 116.67 120.76 1k8o s ASP 77 Ca -0.03 -0.45 0.01 0.00 0.71 0.00 0.00 52.55 52.78 1k8o s ASP 77 Cb -0.08 -1.53 -0.01 0.00 1.01 0.00 0.00 42.92 42.30 1k8o s ASP 77 CO 0.01 0.13 -0.04 -0.63 0.21 0.00 0.00 175.17 174.85 1k8o s ILE 78 N 0.53 0.23 -0.36 0.77 1.09 0.14 -2.55 121.20 121.05 1k8o s ILE 78 Ca -0.11 -0.67 -0.14 0.00 -1.10 0.00 0.00 60.65 58.63 1k8o s ILE 78 Cb -0.16 -0.30 -0.00 0.00 -1.06 0.00 0.00 42.46 40.93 1k8o s ILE 78 CO 0.04 -0.29 0.29 -1.61 -0.10 0.00 0.00 174.94 173.28 1k8o s GLU 79 N -1.01 3.35 0.05 2.79 0.41 0.06 0.21 118.70 124.56 1k8o s GLU 79 Ca -0.09 -0.70 -0.04 0.00 -0.41 0.00 0.00 54.97 53.73 1k8o s GLU 79 Cb -0.07 -3.86 -0.02 0.00 -1.78 0.00 0.00 34.13 28.40 1k8o s GLU 79 CO -0.00 -0.56 0.06 0.95 -0.49 0.00 0.00 175.26 175.22 1k8o s THR 80 N 1.80 0.15 0.44 3.63 -4.23 -1.26 -2.04 115.64 114.13 1k8o s THR 80 Ca 0.07 -1.27 -0.25 0.00 -1.18 0.00 0.00 61.69 59.06 1k8o s THR 80 Cb -0.18 -1.05 -0.09 0.00 1.34 0.00 0.00 72.50 72.52 1k8o s THR 80 CO 0.11 -0.70 1.30 -0.62 -0.54 0.00 0.00 174.62 174.17 1k8o n GLU 81 N 0.57 1.96 -1.29 3.99 -0.58 -1.26 -4.73 120.64 119.30 1k8o n GLU 81 Ca -0.18 0.70 -0.60 0.00 -0.42 0.00 0.00 57.16 56.67 1k8o n GLU 81 Cb 0.59 -2.44 -0.11 0.00 -0.57 0.00 0.00 31.44 28.91 1k8o n GLU 81 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k8o n ALA 82 N -0.29 0.21 -2.72 0.62 0.00 -1.26 -4.92 120.51 112.15 1k8o n ALA 82 Ca 0.07 0.19 -0.32 0.00 0.00 0.00 0.00 53.44 53.37 1k8o n ALA 82 Cb 0.40 -2.11 -0.15 0.00 0.00 0.00 0.00 19.45 17.59 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 5.93 2.44 0.52 0.00 1.43 -1.26 -5.01 118.68 122.74 1k8o s LEU 83 Ca 1.18 -0.36 0.28 0.00 -1.03 0.00 0.00 54.13 54.20 1k8o s LEU 83 Cb -1.45 -1.49 1.44 0.00 0.03 0.00 0.00 46.19 44.73 1k8o s LEU 83 CO 0.65 0.26 2.06 0.07 0.23 0.00 0.00 176.35 179.63 1k8o h LYS 84 N 5.96 0.00 -0.94 1.70 -0.00 -1.92 -2.93 116.57 118.45 1k8o h LYS 84 Ca -0.35 0.00 0.23 0.00 -0.00 0.00 0.00 60.65 60.53 1k8o h LYS 84 Cb 1.18 0.00 -0.13 0.00 -0.00 0.00 0.00 32.23 33.28 1k8o h LYS 84 CO 0.50 0.12 0.47 0.22 -0.00 0.00 0.00 179.45 180.76 1k8o h ASP 85 N 0.00 0.45 0.38 7.07 1.82 -1.99 -0.82 116.42 123.33 1k8o h ASP 85 Ca -0.00 0.15 -0.16 0.00 -0.39 0.00 0.00 57.03 56.63 1k8o h ASP 85 Cb 0.36 0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.44 1k8o h ASP 85 CO 0.02 0.02 -1.76 -0.11 -1.61 0.00 0.00 179.24 175.80 1k8o n LEU 86 N -4.99 0.44 0.00 2.28 0.00 -1.13 -5.20 117.00 108.39 1k8o n LEU 86 Ca 0.24 0.19 0.00 0.00 0.00 0.00 0.00 56.01 56.44 1k8o n LEU 86 Cb 0.70 0.14 0.00 0.00 0.00 0.00 0.00 43.42 44.27 1k8o n LEU 86 CO 0.14 0.16 0.00 -0.62 0.00 0.00 0.00 177.39 177.07