#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 0.15 3.87 -5.12 0.00 -1.26 -5.08 105.19 97.76 1k8o n GLY 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.98 3.82 0.03 1.61 -0.21 -1.26 -5.10 119.66 117.58 1k8o s GLN 3 Ca 0.00 0.47 0.02 0.00 0.02 0.00 0.00 55.36 55.87 1k8o s GLN 3 Cb 0.00 -2.44 -0.02 0.00 1.00 0.00 0.00 33.01 31.56 1k8o s GLN 3 CO 0.00 0.05 -0.07 0.14 -2.12 0.00 0.00 175.29 173.29 1k8o s VAL 4 N -2.22 0.49 -0.08 1.09 -7.23 -1.26 -4.73 120.40 106.46 1k8o s VAL 4 Ca 0.51 -0.83 -0.11 0.00 -1.81 0.00 0.00 61.98 59.74 1k8o s VAL 4 Cb -0.10 -0.53 -0.05 0.00 0.56 0.00 0.00 36.38 36.26 1k8o s VAL 4 CO 0.27 -0.24 0.27 0.68 -0.31 0.00 0.00 175.10 175.77 1k8o s VAL 5 N -1.02 5.28 -0.02 1.32 -7.23 0.56 -4.76 120.40 114.52 1k8o s VAL 5 Ca -0.07 0.52 -0.04 0.00 -1.81 0.00 0.00 61.98 60.59 1k8o s VAL 5 Cb -0.08 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 1k8o s VAL 5 CO 0.00 0.57 0.18 -1.58 -0.31 0.00 0.00 175.10 173.96 1k8o s GLN 6 N -0.80 3.45 -0.12 4.82 0.74 -1.26 0.13 119.66 126.62 1k8o s GLN 6 Ca 0.19 -0.28 -0.02 0.00 0.05 0.00 0.00 55.36 55.30 1k8o s GLN 6 Cb -0.14 -3.11 -0.03 0.00 1.10 0.00 0.00 33.01 30.83 1k8o s GLN 6 CO 0.08 0.69 -0.05 0.12 -0.55 0.00 0.00 175.29 175.58 1k8o s PHE 7 N -1.28 3.01 0.04 1.67 5.36 0.88 -4.91 117.98 122.75 1k8o s PHE 7 Ca 0.26 -0.14 0.06 0.00 -0.96 0.00 0.00 56.93 56.15 1k8o s PHE 7 Cb -0.13 -1.85 -0.02 0.00 -0.34 0.00 0.00 43.02 40.68 1k8o s PHE 7 CO 0.17 0.14 -0.18 -1.59 -1.46 0.00 0.00 175.22 172.29 1k8o s LYS 8 N -0.18 1.24 -0.28 10.12 -2.85 -1.26 -0.09 119.74 126.43 1k8o s LYS 8 Ca 0.03 -0.88 -0.36 0.00 -1.00 0.00 0.00 55.97 53.76 1k8o s LYS 8 Cb -0.13 -1.32 -0.12 0.00 -2.06 0.00 0.00 37.83 34.20 1k8o s LYS 8 CO 0.02 0.33 2.03 -0.11 0.10 0.00 0.00 175.35 177.72 1k8o n LEU 9 N 1.87 2.47 -3.21 2.77 -0.00 -1.25 -4.87 117.00 114.78 1k8o n LEU 9 Ca -0.17 0.68 -0.23 0.00 -0.00 0.00 0.00 56.01 56.28 1k8o n LEU 9 Cb 0.54 -1.26 -0.06 0.00 -0.00 0.00 0.00 43.42 42.64 1k8o n LEU 9 CO 0.23 -0.52 -0.20 -1.20 -0.00 0.00 0.00 177.39 175.70 1k8o n SER 10 N 8.20 1.12 0.00 1.96 7.64 -1.26 -3.69 113.62 127.59 1k8o n SER 10 Ca 0.34 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 57.29 1k8o n SER 10 Cb 0.22 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1k8o n SER 10 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1k8o n ASP 11 N 0.98 3.65 -3.45 6.43 8.00 -1.26 -5.10 116.55 125.80 1k8o n ASP 11 Ca 0.24 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.58 1k8o n ASP 11 Cb 0.53 0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.83 1k8o n ASP 11 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1k8o n ILE 12 N -1.96 0.00 -1.37 0.53 -0.00 -1.26 -5.09 119.36 110.20 1k8o n ILE 12 Ca 0.00 -1.23 -0.29 0.00 -0.00 0.00 0.00 62.75 61.23 1k8o n ILE 12 Cb 0.40 0.07 0.17 0.00 -0.00 0.00 0.00 39.64 40.28 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 -2.65 1.58 -0.03 3.28 0.00 -1.26 -4.76 107.32 103.47 1k8o s GLY 13 Ca 0.06 -0.56 0.06 0.00 0.00 0.00 0.00 44.72 44.27 1k8o s GLY 13 CO 0.04 0.07 1.04 -2.21 0.00 0.00 0.00 173.10 172.04 1k8o n GLU 14 N -4.05 1.83 -1.39 2.90 2.13 -1.26 -3.94 120.64 116.86 1k8o n GLU 14 Ca 0.07 -0.89 -0.06 0.00 0.66 0.00 0.00 57.16 56.95 1k8o n GLU 14 Cb 0.59 -1.43 -0.02 0.00 0.27 0.00 0.00 31.44 30.85 1k8o n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k8o n GLY 15 N 0.57 0.86 0.00 8.31 0.00 -1.26 -4.94 105.19 108.72 1k8o n GLY 15 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.36 0.00 -1.55 -0.61 -6.64 -1.25 -5.12 119.36 103.82 1k8o n ILE 16 Ca -0.26 0.00 -0.40 0.00 -1.77 0.00 0.00 62.75 60.32 1k8o n ILE 16 Cb 0.74 0.00 0.02 0.00 -1.44 0.00 0.00 39.64 38.96 1k8o n ILE 16 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 1k8o n ARG 17 N 0.00 0.96 -3.01 6.28 5.12 -1.26 -4.89 116.66 119.86 1k8o n ARG 17 Ca 0.00 0.35 -0.18 0.00 -1.93 0.00 0.00 57.85 56.09 1k8o n ARG 17 Cb 0.00 -1.87 0.03 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 -2.01 2.60 0.05 5.56 2.02 -1.26 -4.70 118.70 120.96 1k8o s GLU 18 Ca 0.66 -1.39 0.06 0.00 0.02 0.00 0.00 54.97 54.32 1k8o s GLU 18 Cb -0.54 -2.71 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 1k8o s GLU 18 CO 0.55 -0.53 -0.17 0.54 0.02 0.00 0.00 175.26 175.68 1k8o s VAL 19 N -2.49 1.37 0.21 2.63 0.11 -1.11 -4.95 120.40 116.16 1k8o s VAL 19 Ca 0.58 -1.18 0.02 0.00 -2.93 0.00 0.00 61.98 58.46 1k8o s VAL 19 Cb -0.08 -1.23 -0.04 0.00 -1.53 0.00 0.00 36.38 33.50 1k8o s VAL 19 CO 0.36 0.02 0.36 -0.89 -3.33 0.00 0.00 175.10 171.62 1k8o s THR 20 N -0.94 5.25 0.18 5.04 2.01 -1.26 -1.32 115.64 124.60 1k8o s THR 20 Ca 0.04 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 1k8o s THR 20 Cb -0.09 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.57 1k8o s THR 20 CO 0.02 -0.22 0.96 -0.69 -0.69 0.00 0.00 174.62 174.00 1k8o s VAL 21 N -1.90 4.24 -0.18 3.82 1.01 -1.10 -3.89 120.40 122.40 1k8o s VAL 21 Ca 0.36 2.04 0.12 0.00 0.00 0.00 0.00 61.98 64.50 1k8o s VAL 21 Cb -0.10 -4.30 -0.20 0.00 0.00 0.00 0.00 36.38 31.78 1k8o s VAL 21 CO 0.30 0.40 -0.00 0.29 0.00 0.00 0.00 175.10 176.08 1k8o n LYS 22 N 2.13 1.02 -3.73 2.72 4.76 0.43 -4.08 118.16 121.41 1k8o n LYS 22 Ca 0.00 0.03 -0.17 0.00 -2.87 0.00 0.00 58.31 55.30 1k8o n LYS 22 Cb 0.48 -1.44 -0.17 0.00 -1.84 0.00 0.00 35.03 32.06 1k8o n LYS 22 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1k8o s GLU 23 N -2.42 -0.04 -0.22 1.97 2.02 -0.74 -4.93 118.70 114.33 1k8o s GLU 23 Ca -0.14 0.30 0.01 0.00 0.02 0.00 0.00 54.97 55.16 1k8o s GLU 23 Cb 0.06 -0.33 0.03 0.00 0.10 0.00 0.00 34.13 33.99 1k8o s GLU 23 CO 0.66 -0.23 -0.13 -1.58 0.02 0.00 0.00 175.26 173.99 1k8o s TRP 24 N 1.54 3.01 -0.25 1.61 0.52 -1.26 -0.74 118.94 123.37 1k8o s TRP 24 Ca -0.03 -1.83 0.09 0.00 0.02 0.00 0.00 56.10 54.34 1k8o s TRP 24 Cb -0.12 -1.96 0.44 0.00 -1.15 0.00 0.00 33.47 30.68 1k8o s TRP 24 CO -0.03 -0.81 1.20 0.66 0.02 0.00 0.00 176.95 177.99 1k8o n TYR 25 N 4.57 1.49 -3.55 -1.98 4.01 -1.06 -5.03 117.16 115.61 1k8o n TYR 25 Ca -0.18 -1.88 -0.12 0.00 -0.16 0.00 0.00 57.90 55.56 1k8o n TYR 25 Cb 0.47 -0.30 -0.04 0.00 -0.31 0.00 0.00 39.34 39.16 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 -3.95 0.03 0.17 -0.72 -7.23 -1.25 -4.77 120.40 102.68 1k8o s VAL 26 Ca 0.45 -0.28 -0.01 0.00 -1.81 0.00 0.00 61.98 60.33 1k8o s VAL 26 Cb 0.39 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 1k8o s VAL 26 CO -0.01 -0.15 0.10 -0.75 -0.31 0.00 0.00 175.10 173.98 1k8o s LYS 27 N -3.20 1.09 0.28 4.82 2.47 -1.26 -5.01 119.74 118.93 1k8o s LYS 27 Ca -0.01 -1.55 -0.30 0.00 -1.56 0.00 0.00 55.97 52.54 1k8o s LYS 27 Cb 0.00 0.25 -0.13 0.00 -1.46 0.00 0.00 37.83 36.49 1k8o s LYS 27 CO -0.08 -0.33 1.45 0.39 0.16 0.00 0.00 175.35 176.94 1k8o n GLU 28 N -0.20 2.29 -0.89 4.03 1.02 -1.26 -0.90 120.64 124.73 1k8o n GLU 28 Ca -0.01 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1k8o n GLU 28 Cb 0.65 -2.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 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 1.86 0.52 3.93 0.62 0.00 0.42 -4.85 105.19 107.67 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 -0.35 0.00 0.00 0.00 173.32 172.97 1k8o s ASP 30 N -2.40 6.39 0.10 1.61 -1.08 0.68 -4.79 116.67 117.18 1k8o s ASP 30 Ca 0.00 0.38 0.01 0.00 -0.52 0.00 0.00 52.55 52.42 1k8o s ASP 30 Cb 0.00 -2.00 -0.04 0.00 -1.46 0.00 0.00 42.92 39.42 1k8o s ASP 30 CO 0.00 -0.02 0.25 -0.89 0.52 0.00 0.00 175.17 175.03 1k8o s THR 31 N -1.82 5.35 0.26 1.71 2.01 -1.26 0.17 115.64 122.06 1k8o s THR 31 Ca 0.38 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 61.97 1k8o s THR 31 Cb -0.11 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1k8o s THR 31 CO 0.29 0.03 0.06 0.68 -0.69 0.00 0.00 174.62 174.99 1k8o s VAL 32 N -1.62 3.73 0.05 3.82 -7.23 0.40 -4.87 120.40 114.67 1k8o s VAL 32 Ca 0.35 -1.76 -0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1k8o s VAL 32 Cb -0.12 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 33.77 1k8o s VAL 32 CO 0.28 -0.36 -0.02 -0.44 -0.31 0.00 0.00 175.10 174.25 1k8o s SER 33 N -3.73 0.47 0.47 4.85 0.01 -1.17 -1.72 113.70 112.88 1k8o s SER 33 Ca 0.32 -0.97 0.26 0.00 1.31 0.00 0.00 55.95 56.86 1k8o s SER 33 Cb -0.07 0.21 1.29 0.00 0.21 0.00 0.00 66.02 67.66 1k8o s SER 33 CO 0.21 -0.60 1.82 1.56 0.41 0.00 0.00 173.24 176.65 1k8o h GLN 34 N 3.16 0.21 0.00 12.44 4.20 -1.90 0.41 115.11 133.62 1k8o h GLN 34 Ca -0.34 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.22 1k8o h GLN 34 Cb 1.14 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 1k8o h GLN 34 CO 0.65 0.14 -1.31 0.35 -0.67 0.00 0.00 178.83 177.98 1k8o h PHE 35 N 0.21 0.00 -3.20 2.96 3.04 -1.95 -3.41 116.94 114.59 1k8o h PHE 35 Ca 0.52 0.00 -0.74 0.00 3.98 0.00 0.00 57.97 61.73 1k8o h PHE 35 Cb 1.67 0.00 -0.22 0.00 2.56 0.00 0.00 35.95 39.95 1k8o h PHE 35 CO -0.00 0.48 0.30 -0.51 -2.02 0.00 0.00 178.31 176.56 1k8o s ASP 36 N -5.73 6.59 0.86 0.41 1.01 0.14 -5.05 116.67 114.90 1k8o s ASP 36 Ca -0.02 -2.22 -0.11 0.00 0.71 0.00 0.00 52.55 50.91 1k8o s ASP 36 Cb 0.09 -2.28 0.11 0.00 1.01 0.00 0.00 42.92 41.85 1k8o s ASP 36 CO 0.81 -0.83 1.14 -0.94 0.21 0.00 0.00 175.17 175.55 1k8o s SER 37 N 2.94 3.47 -0.06 0.27 1.04 -1.26 -3.05 113.70 117.04 1k8o s SER 37 Ca 0.20 2.12 -0.03 0.00 0.48 0.00 0.00 55.95 58.72 1k8o s SER 37 Cb -0.12 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.43 1k8o s SER 37 CO -0.06 -2.74 -0.05 0.40 0.98 0.00 0.00 173.24 171.77 1k8o h ILE 38 N -1.50 0.00 -4.18 -1.02 2.04 -1.74 -3.38 117.51 107.74 1k8o h ILE 38 Ca -0.44 -0.51 -0.14 0.00 1.00 0.00 0.00 64.86 64.77 1k8o h ILE 38 Cb 1.26 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.19 1k8o h ILE 38 CO 0.45 0.00 -0.68 0.00 0.00 0.00 0.00 178.15 177.92 1k8o s GLU 40 N -3.91 -0.04 0.09 0.00 2.12 0.08 -1.51 118.70 115.53 1k8o s GLU 40 Ca 0.09 0.32 0.10 0.00 0.36 0.00 0.00 54.97 55.84 1k8o s GLU 40 Cb 0.08 -0.36 -0.03 0.00 0.26 0.00 0.00 34.13 34.07 1k8o s GLU 40 CO -0.08 -0.25 -0.27 0.14 -0.54 0.00 0.00 175.26 174.26 1k8o s VAL 41 N 1.69 2.18 -0.06 3.70 -7.23 -0.87 0.16 120.40 119.97 1k8o s VAL 41 Ca -0.02 -1.56 -0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1k8o s VAL 41 Cb -0.12 -1.90 0.03 0.00 0.56 0.00 0.00 36.38 34.94 1k8o s VAL 41 CO -0.03 0.23 -0.02 -1.10 -0.31 0.00 0.00 175.10 173.87 1k8o s GLN 42 N -1.63 0.68 0.15 4.82 -0.21 -1.25 -1.56 119.66 120.67 1k8o s GLN 42 Ca 0.13 0.03 0.05 0.00 0.02 0.00 0.00 55.36 55.59 1k8o s GLN 42 Cb -0.10 -0.92 -0.04 0.00 1.00 0.00 0.00 33.01 32.95 1k8o s GLN 42 CO 0.04 -0.22 0.08 0.45 -2.12 0.00 0.00 175.29 173.52 1k8o s SER 43 N 1.58 5.27 0.52 5.90 0.15 0.62 -4.77 113.70 122.97 1k8o s SER 43 Ca -0.01 -0.20 0.33 0.00 0.70 0.00 0.00 55.95 56.77 1k8o s SER 43 Cb -0.13 -1.31 1.78 0.00 -1.71 0.00 0.00 66.02 64.65 1k8o s SER 43 CO -0.04 0.09 1.99 0.44 1.20 0.00 0.00 173.24 176.93 1k8o h ASP 44 N 2.64 0.00 0.01 5.45 5.19 -2.01 -2.70 116.42 125.00 1k8o h ASP 44 Ca -0.47 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 55.52 1k8o h ASP 44 Cb 1.20 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.64 1k8o h ASP 44 CO 0.62 0.00 -2.38 2.29 -3.12 0.00 0.00 179.24 176.65 1k8o n LYS 45 N -2.68 0.62 -3.78 3.56 2.85 -1.26 -5.05 118.16 112.42 1k8o n LYS 45 Ca -0.02 0.25 -0.10 0.00 -1.05 0.00 0.00 58.31 57.38 1k8o n LYS 45 Cb 0.10 -1.54 -0.07 0.00 -0.65 0.00 0.00 35.03 32.87 1k8o n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1k8o s ALA 46 N -2.50 -0.51 -0.04 0.58 0.00 -1.02 -5.17 121.76 113.10 1k8o s ALA 46 Ca -0.36 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1k8o s ALA 46 Cb 0.11 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 1k8o s ALA 46 CO 0.56 -0.49 -0.16 -1.12 0.00 0.00 0.00 175.76 174.55 1k8o s SER 47 N -2.54 3.92 -0.05 0.00 0.01 -1.26 -0.28 113.70 113.50 1k8o s SER 47 Ca 0.01 -0.23 -0.02 0.00 1.31 0.00 0.00 55.95 57.02 1k8o s SER 47 Cb 0.02 -0.79 0.03 0.00 0.21 0.00 0.00 66.02 65.49 1k8o s SER 47 CO -0.08 0.34 0.04 -0.69 0.41 0.00 0.00 173.24 173.26 1k8o s VAL 48 N -0.73 0.07 -0.17 3.43 1.01 -0.60 -4.98 120.40 118.44 1k8o s VAL 48 Ca 0.11 0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.33 1k8o s VAL 48 Cb -0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1k8o s VAL 48 CO 0.00 0.21 0.09 0.42 0.00 0.00 0.00 175.10 175.82 1k8o s THR 49 N 2.07 5.06 -0.47 3.92 -4.23 -1.26 -2.05 115.64 118.70 1k8o s THR 49 Ca 0.05 0.06 -0.16 0.00 -1.18 0.00 0.00 61.69 60.45 1k8o s THR 49 Cb -0.12 -3.27 0.06 0.00 1.34 0.00 0.00 72.50 70.51 1k8o s THR 49 CO -0.04 0.49 0.43 -0.63 -0.54 0.00 0.00 174.62 174.33 1k8o s ILE 50 N 0.03 5.16 0.74 2.99 1.09 -0.57 -5.02 121.20 125.62 1k8o s ILE 50 Ca 0.07 -0.84 -0.03 0.00 -1.10 0.00 0.00 60.65 58.75 1k8o s ILE 50 Cb -0.12 -4.12 0.15 0.00 -1.06 0.00 0.00 42.46 37.31 1k8o s ILE 50 CO 0.00 -0.57 1.01 0.35 -0.10 0.00 0.00 174.94 175.64 1k8o n THR 51 N 5.29 0.00 -0.11 2.92 -2.24 -1.26 -2.37 114.28 116.51 1k8o n THR 51 Ca -0.11 -1.41 -0.20 0.00 -2.27 0.00 0.00 64.05 60.07 1k8o n THR 51 Cb 0.45 -1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 67.56 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 -3.07 1.96 0.00 3.42 2.88 -1.26 -4.66 113.62 112.88 1k8o n SER 52 Ca 0.16 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1k8o n SER 52 Cb 0.56 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1k8o n SER 52 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1k8o n ARG 53 N -3.60 -0.41 -3.67 -1.46 -4.01 -1.26 -4.86 116.66 97.39 1k8o n ARG 53 Ca -0.42 0.10 0.03 0.00 -1.04 0.00 0.00 57.85 56.52 1k8o n ARG 53 Cb 0.86 -3.63 0.00 0.00 -3.04 0.00 0.00 32.46 26.65 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 -2.15 -0.01 -0.27 2.89 2.02 -1.26 -4.90 117.35 113.66 1k8o s TYR 54 Ca 0.00 -0.04 -0.13 0.00 -0.37 0.00 0.00 57.07 56.53 1k8o s TYR 54 Cb 0.00 0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 42.04 1k8o s TYR 54 CO 0.00 -0.13 0.28 0.16 -1.57 0.00 0.00 175.55 174.29 1k8o s ASP 55 N -3.17 6.14 0.25 2.29 -4.77 -1.26 -3.40 116.67 112.77 1k8o s ASP 55 Ca 0.18 0.15 0.05 0.00 -3.30 0.00 0.00 52.55 49.63 1k8o s ASP 55 Cb 0.05 -2.16 -0.05 0.00 -1.09 0.00 0.00 42.92 39.66 1k8o s ASP 55 CO -0.05 -0.11 -0.04 -0.83 0.70 0.00 0.00 175.17 174.84 1k8o s GLY 56 N 1.66 1.69 -0.26 2.12 0.00 -0.70 -4.80 107.32 107.03 1k8o s GLY 56 Ca 0.11 -1.83 -0.10 0.00 0.00 0.00 0.00 44.72 42.90 1k8o s GLY 56 CO 0.10 -1.77 0.16 0.14 0.00 0.00 0.00 173.10 171.73 1k8o s VAL 57 N -3.17 5.18 -0.23 1.40 1.01 -0.90 0.15 120.40 123.84 1k8o s VAL 57 Ca 0.28 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 1k8o s VAL 57 Cb 0.04 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1k8o s VAL 57 CO 0.10 0.31 0.16 -0.63 0.00 0.00 0.00 175.10 175.04 1k8o s ILE 58 N 1.40 5.37 -0.20 2.22 1.01 0.46 -0.61 121.20 130.84 1k8o s ILE 58 Ca 0.07 0.19 0.12 0.00 0.00 0.00 0.00 60.65 61.03 1k8o s ILE 58 Cb -0.15 -3.50 -0.23 0.00 0.01 0.00 0.00 42.46 38.60 1k8o s ILE 58 CO 0.07 0.37 0.05 1.17 0.00 0.00 0.00 174.94 176.60 1k8o n LYS 59 N 4.10 0.68 -3.57 2.79 4.81 -1.06 0.16 118.16 126.06 1k8o n LYS 59 Ca -0.15 0.08 -0.16 0.00 -0.87 0.00 0.00 58.31 57.21 1k8o n LYS 59 Cb 0.52 -1.55 -0.06 0.00 0.02 0.00 0.00 35.03 33.95 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 0.92 -0.03 1.64 0.00 -1.26 -1.88 119.74 116.61 1k8o s LYS 60 Ca -0.17 0.51 0.00 0.00 0.00 0.00 0.00 55.97 56.31 1k8o s LYS 60 Cb 0.07 0.44 0.03 0.00 0.00 0.00 0.00 37.83 38.36 1k8o s LYS 60 CO 0.76 -0.23 0.01 -0.51 0.00 0.00 0.00 175.35 175.38 1k8o s LEU 61 N -0.58 1.08 -0.11 2.77 1.43 -1.26 -3.88 118.68 118.13 1k8o s LEU 61 Ca -0.06 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 1k8o s LEU 61 Cb -0.02 -0.20 -0.11 0.00 0.03 0.00 0.00 46.19 45.89 1k8o s LEU 61 CO 0.05 -0.12 -0.01 0.00 0.23 0.00 0.00 176.35 176.51 1k8o n TYR 62 N 4.24 0.00 -3.12 0.29 9.36 -1.26 -4.86 117.16 121.81 1k8o n TYR 62 Ca -0.25 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.58 1k8o n TYR 62 Cb 0.50 -0.49 -0.05 0.00 -0.63 0.00 0.00 39.34 38.66 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 -2.25 3.69 0.13 2.98 1.51 -1.26 -5.01 117.35 117.14 1k8o s TYR 63 Ca -0.09 1.29 0.00 0.00 -1.01 0.00 0.00 57.07 57.27 1k8o s TYR 63 Cb 0.03 -2.70 0.00 0.00 -0.11 0.00 0.00 41.96 39.19 1k8o s TYR 63 CO 0.37 0.30 0.02 0.09 -1.11 0.00 0.00 175.55 175.23 1k8o n ASN 64 N 2.85 2.13 0.28 2.29 4.13 -1.26 -4.95 115.26 120.73 1k8o n ASN 64 Ca -0.05 -1.53 0.18 0.00 1.68 0.00 0.00 54.58 54.86 1k8o n ASN 64 Cb 0.51 0.06 0.94 0.00 -1.54 0.00 0.00 39.78 39.75 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 -1.86 115.31 119.01 1k8o h LEU 65 Ca -0.10 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.66 1k8o h LEU 65 Cb 0.31 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.02 1k8o h LEU 65 CO 0.16 0.00 -2.19 -0.67 -1.08 0.00 0.00 178.44 174.66 1k8o n ASP 66 N -3.37 0.02 -4.80 -0.43 2.03 -1.26 -3.90 116.55 104.84 1k8o n ASP 66 Ca -0.01 0.01 -0.34 0.00 0.52 0.00 0.00 54.79 54.98 1k8o n ASP 66 Cb 0.27 1.43 -0.04 0.00 -0.72 0.00 0.00 41.12 42.06 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 -5.06 6.47 -0.01 1.67 1.01 -0.70 -4.85 116.67 115.21 1k8o s ASP 67 Ca -0.09 1.87 0.03 0.00 0.71 0.00 0.00 52.55 55.06 1k8o s ASP 67 Cb 0.10 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 1k8o s ASP 67 CO 0.87 -0.69 -0.06 -0.63 0.21 0.00 0.00 175.17 174.87 1k8o s ILE 68 N -2.05 3.71 0.14 0.77 1.01 -1.26 -2.70 121.20 120.82 1k8o s ILE 68 Ca 0.66 -0.72 0.11 0.00 0.00 0.00 0.00 60.65 60.70 1k8o s ILE 68 Cb -0.14 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1k8o s ILE 68 CO 0.19 0.42 -0.26 0.00 0.00 0.00 0.00 174.94 175.28 1k8o s ALA 69 N -0.98 2.41 0.00 9.38 0.00 -0.43 -4.95 121.76 127.18 1k8o s ALA 69 Ca 0.17 -1.50 0.08 0.00 0.00 0.00 0.00 51.96 50.71 1k8o s ALA 69 Cb -0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1k8o s ALA 69 CO 0.07 0.52 -0.25 1.52 0.00 0.00 0.00 175.76 177.62 1k8o s TYR 70 N -1.16 2.36 0.32 0.00 -0.85 -1.26 -2.74 117.35 114.02 1k8o s TYR 70 Ca 0.15 -0.41 -0.29 0.00 -0.52 0.00 0.00 57.07 56.00 1k8o s TYR 70 Cb -0.10 -1.47 -0.11 0.00 0.38 0.00 0.00 41.96 40.66 1k8o s TYR 70 CO 0.07 0.04 1.55 0.08 -1.52 0.00 0.00 175.55 175.76 1k8o s VAL 71 N -0.69 2.07 0.00 -3.49 1.01 -1.24 -3.72 120.40 114.34 1k8o s VAL 71 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1k8o s VAL 71 Cb -0.10 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1k8o s VAL 71 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1k8o n GLY 72 N 1.51 1.18 3.51 4.51 0.00 -1.26 -4.69 105.19 109.95 1k8o n GLY 72 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 1k8o n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k8o s LYS 73 N -0.30 0.59 0.51 1.61 1.02 -1.24 -5.12 119.74 116.81 1k8o s LYS 73 Ca 0.00 1.10 -0.20 0.00 0.02 0.00 0.00 55.97 56.89 1k8o s LYS 73 Cb 0.00 0.13 -0.07 0.00 -0.52 0.00 0.00 37.83 37.37 1k8o s LYS 73 CO 0.00 -0.16 1.06 -2.14 -0.92 0.00 0.00 175.35 173.20 1k8o s PRO 74 N 1.67 3.64 0.00 -1.68 0.02 -1.26 -3.81 135.00 133.57 1k8o s PRO 74 Ca -0.09 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.34 1k8o s PRO 74 Cb -0.07 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1k8o s PRO 74 CO -0.17 -0.58 0.00 1.47 -0.33 0.00 0.00 177.00 177.39 1k8o n LEU 75 N -1.16 0.00 -3.90 -5.54 -0.00 0.87 -4.90 117.00 102.37 1k8o n LEU 75 Ca 0.10 -0.10 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1k8o n LEU 75 Cb 0.52 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.81 1k8o n LEU 75 CO 0.41 0.00 -0.33 0.54 -0.00 0.00 0.00 177.39 178.01 1k8o s VAL 76 N -1.75 0.04 -0.19 1.47 0.11 -1.12 -4.19 120.40 114.77 1k8o s VAL 76 Ca 0.00 -0.31 -0.07 0.00 -2.93 0.00 0.00 61.98 58.67 1k8o s VAL 76 Cb 0.00 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.68 1k8o s VAL 76 CO 0.00 -0.17 0.04 -1.81 -3.33 0.00 0.00 175.10 169.83 1k8o s ASP 77 N -0.51 5.31 0.02 3.54 1.11 -1.25 -0.08 116.67 124.80 1k8o s ASP 77 Ca -0.06 -0.04 0.00 0.00 0.18 0.00 0.00 52.55 52.63 1k8o s ASP 77 Cb -0.04 -1.91 -0.02 0.00 1.07 0.00 0.00 42.92 42.02 1k8o s ASP 77 CO -0.00 0.12 -0.03 -0.63 1.18 0.00 0.00 175.17 175.80 1k8o s ILE 78 N 0.69 0.15 -0.37 0.77 1.09 0.36 -2.58 121.20 121.30 1k8o s ILE 78 Ca 0.02 -0.89 -0.15 0.00 -1.10 0.00 0.00 60.65 58.53 1k8o s ILE 78 Cb -0.14 -0.28 -0.00 0.00 -1.06 0.00 0.00 42.46 40.98 1k8o s ILE 78 CO 0.02 -0.47 0.32 -1.61 -0.10 0.00 0.00 174.94 173.10 1k8o s GLU 79 N -1.42 3.32 0.05 2.79 2.02 0.22 0.21 118.70 125.89 1k8o s GLU 79 Ca -0.15 -0.69 -0.04 0.00 0.02 0.00 0.00 54.97 54.11 1k8o s GLU 79 Cb -0.10 -3.88 -0.02 0.00 0.10 0.00 0.00 34.13 30.24 1k8o s GLU 79 CO -0.01 -0.61 0.06 0.95 0.02 0.00 0.00 175.26 175.67 1k8o s THR 80 N 1.86 0.16 0.01 3.63 -4.23 -1.26 -2.13 115.64 113.68 1k8o s THR 80 Ca 0.08 -1.34 -0.33 0.00 -1.18 0.00 0.00 61.69 58.93 1k8o s THR 80 Cb -0.17 -1.13 -0.11 0.00 1.34 0.00 0.00 72.50 72.42 1k8o s THR 80 CO 0.11 -0.74 1.86 1.21 -0.54 0.00 0.00 174.62 176.52 1k8o n GLU 81 N 0.47 2.43 -1.61 3.99 2.13 -1.26 -4.78 120.64 122.01 1k8o n GLU 81 Ca -0.17 0.89 -0.65 0.00 0.66 0.00 0.00 57.16 57.89 1k8o n GLU 81 Cb 0.60 -2.76 -0.10 0.00 0.27 0.00 0.00 31.44 29.45 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 6.27 -0.80 -2.76 4.31 0.00 -1.26 -4.79 120.51 121.48 1k8o n ALA 82 Ca 0.21 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.73 1k8o n ALA 82 Cb 0.33 -2.00 -0.07 0.00 0.00 0.00 0.00 19.45 17.71 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 3.93 3.78 0.00 0.00 2.96 -1.26 -4.94 118.68 123.15 1k8o s LEU 83 Ca 1.09 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 55.02 1k8o s LEU 83 Cb -1.46 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 42.89 1k8o s LEU 83 CO 0.76 0.22 0.00 1.17 -1.32 0.00 0.00 176.35 177.17 1k8o n LYS 84 N 0.80 0.00 -0.04 1.98 3.00 -1.26 -2.32 118.16 120.31 1k8o n LYS 84 Ca -0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.12 1k8o n LYS 84 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.52 1k8o n LYS 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1k8o n ASP 85 N -3.27 1.44 0.00 3.14 8.00 -1.26 -5.00 116.55 119.61 1k8o n ASP 85 Ca 0.00 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1k8o n ASP 85 Cb 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 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 -3.94 0.00 0.00 0.64 7.94 -0.98 -5.19 117.00 115.47 1k8o n LEU 86 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 1k8o n LEU 86 Cb 0.42 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.37 1k8o n LEU 86 CO 0.09 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 174.53