#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8m n GLY 2 N 0.00 1.18 3.47 -5.12 0.00 -1.26 -5.07 105.19 98.38 1k8m n GLY 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1k8m n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k8m s GLN 3 N -0.60 1.93 0.05 1.61 -0.21 -1.26 -5.12 119.66 116.06 1k8m s GLN 3 Ca 0.00 -1.07 0.06 0.00 0.02 0.00 0.00 55.36 54.37 1k8m s GLN 3 Cb 0.00 -2.15 -0.02 0.00 1.00 0.00 0.00 33.01 31.84 1k8m s GLN 3 CO 0.00 0.51 -0.17 0.14 -2.12 0.00 0.00 175.29 173.66 1k8m s VAL 4 N -1.02 1.33 -0.18 1.09 -7.23 -1.26 -4.74 120.40 108.38 1k8m s VAL 4 Ca 0.16 -1.15 -0.13 0.00 -1.81 0.00 0.00 61.98 59.05 1k8m s VAL 4 Cb -0.11 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 1k8m s VAL 4 CO 0.07 0.02 0.25 0.68 -0.31 0.00 0.00 175.10 175.82 1k8m s VAL 5 N -0.92 5.32 -0.05 1.32 -7.23 0.58 -4.77 120.40 114.66 1k8m s VAL 5 Ca 0.03 0.45 -0.03 0.00 -1.81 0.00 0.00 61.98 60.62 1k8m s VAL 5 Cb -0.09 -3.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 1k8m s VAL 5 CO 0.02 0.38 0.11 -1.10 -0.31 0.00 0.00 175.10 174.19 1k8m s GLN 6 N 0.60 3.23 -0.15 4.82 -0.21 -1.26 -0.09 119.66 126.59 1k8m s GLN 6 Ca 0.14 -0.35 -0.07 0.00 0.02 0.00 0.00 55.36 55.10 1k8m s GLN 6 Cb -0.13 -2.98 -0.04 0.00 1.00 0.00 0.00 33.01 30.86 1k8m s GLN 6 CO 0.03 0.70 0.10 0.12 -2.12 0.00 0.00 175.29 174.11 1k8m s PHE 7 N -1.13 3.40 0.01 0.91 5.36 0.15 -4.95 117.98 121.72 1k8m s PHE 7 Ca 0.20 0.31 0.07 0.00 -0.96 0.00 0.00 56.93 56.56 1k8m s PHE 7 Cb -0.12 -2.02 -0.02 0.00 -0.34 0.00 0.00 43.02 40.52 1k8m s PHE 7 CO 0.11 0.42 -0.23 -1.59 -1.46 0.00 0.00 175.22 172.47 1k8m s LYS 8 N -0.25 1.72 -0.26 10.12 -2.85 -1.26 -0.10 119.74 126.85 1k8m s LYS 8 Ca 0.10 -0.88 -0.39 0.00 -1.00 0.00 0.00 55.97 53.79 1k8m s LYS 8 Cb -0.12 -1.73 -0.15 0.00 -2.06 0.00 0.00 37.83 33.77 1k8m s LYS 8 CO 0.01 0.46 1.81 -0.11 0.10 0.00 0.00 175.35 177.62 1k8m n LEU 9 N 2.25 2.55 -3.86 2.77 -0.00 -1.26 -4.91 117.00 114.55 1k8m n LEU 9 Ca -0.16 1.01 -0.27 0.00 -0.00 0.00 0.00 56.01 56.59 1k8m n LEU 9 Cb 0.52 -1.19 -0.17 0.00 -0.00 0.00 0.00 43.42 42.59 1k8m n LEU 9 CO 0.23 -0.38 -0.41 -0.44 -0.00 0.00 0.00 177.39 176.39 1k8m s SER 10 N 3.96 2.47 0.00 1.96 0.01 -1.26 -4.02 113.70 116.82 1k8m s SER 10 Ca 0.99 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1k8m s SER 10 Cb -1.00 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 64.45 1k8m s SER 10 CO 0.62 -0.18 0.00 -0.67 0.41 0.00 0.00 173.24 173.42 1k8m n ASP 11 N 4.96 0.00 -4.82 2.44 2.03 -1.26 -5.06 116.55 114.84 1k8m n ASP 11 Ca -0.11 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.96 1k8m n ASP 11 Cb 0.49 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.84 1k8m n ASP 11 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1k8m s ILE 12 N 0.00 2.24 0.41 5.18 -0.00 -1.26 -5.05 121.20 122.71 1k8m s ILE 12 Ca 0.00 -1.55 -0.01 0.00 -0.00 0.00 0.00 60.65 59.09 1k8m s ILE 12 Cb 0.00 -2.79 -0.02 0.00 -0.00 0.00 0.00 42.46 39.64 1k8m s ILE 12 CO 0.00 0.00 0.63 -0.83 -0.00 0.00 0.00 174.94 174.74 1k8m s GLY 13 N -4.05 1.44 -1.06 6.27 0.00 -1.26 -4.78 107.32 103.88 1k8m s GLY 13 Ca 0.41 -0.89 -0.10 0.00 0.00 0.00 0.00 44.72 44.14 1k8m s GLY 13 CO 0.23 -0.77 2.24 -2.21 0.00 0.00 0.00 173.10 172.60 1k8m n GLU 14 N -1.97 2.34 0.00 2.90 2.13 -1.26 -3.21 120.64 121.56 1k8m n GLU 14 Ca -0.02 -1.75 0.00 0.00 0.66 0.00 0.00 57.16 56.06 1k8m n GLU 14 Cb 0.56 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.62 1k8m n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k8m n GLY 15 N 3.89 0.00 0.00 8.31 0.00 -1.26 -5.07 105.19 111.06 1k8m n GLY 15 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1k8m n GLY 15 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k8m n ILE 16 N 0.00 0.00 -1.98 -0.61 -5.35 -1.20 -5.05 119.36 105.17 1k8m n ILE 16 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.12 1k8m n ILE 16 Cb 0.00 -1.05 0.03 0.00 -1.74 0.00 0.00 39.64 36.89 1k8m n ILE 16 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1k8m s ARG 17 N 0.62 3.00 0.50 6.28 3.52 -1.26 -4.91 118.95 126.70 1k8m s ARG 17 Ca 0.00 1.89 0.07 0.00 -0.13 0.00 0.00 55.73 57.56 1k8m s ARG 17 Cb 0.00 -1.98 0.04 0.00 -1.56 0.00 0.00 34.95 31.45 1k8m s ARG 17 CO 0.00 -1.20 0.69 -1.21 -0.81 0.00 0.00 175.30 172.77 1k8m s GLU 18 N -3.25 2.56 0.09 5.12 8.01 -1.26 -4.72 118.70 125.25 1k8m s GLU 18 Ca 0.77 -1.32 0.08 0.00 0.01 0.00 0.00 54.97 54.51 1k8m s GLU 18 Cb -0.32 -2.67 -0.03 0.00 -4.31 0.00 0.00 34.13 26.80 1k8m s GLU 18 CO 0.35 -0.58 -0.22 0.54 0.01 0.00 0.00 175.26 175.36 1k8m s VAL 19 N -2.54 1.77 0.23 2.63 0.11 -1.12 -4.92 120.40 116.55 1k8m s VAL 19 Ca 0.58 -1.50 0.03 0.00 -2.93 0.00 0.00 61.98 58.17 1k8m s VAL 19 Cb -0.08 -1.59 -0.03 0.00 -1.53 0.00 0.00 36.38 33.15 1k8m s VAL 19 CO 0.36 0.01 0.36 -0.89 -3.33 0.00 0.00 175.10 171.62 1k8m s THR 20 N -1.08 5.26 -0.00 5.04 2.01 -1.26 0.11 115.64 125.72 1k8m s THR 20 Ca 0.07 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 1k8m s THR 20 Cb -0.10 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 1k8m s THR 20 CO 0.04 -0.28 0.99 -0.69 -0.69 0.00 0.00 174.62 173.98 1k8m s VAL 21 N -1.95 4.84 -0.15 3.82 1.01 -1.08 -3.81 120.40 123.09 1k8m s VAL 21 Ca 0.35 2.04 0.16 0.00 0.00 0.00 0.00 61.98 64.53 1k8m s VAL 21 Cb -0.10 -4.31 -0.24 0.00 0.00 0.00 0.00 36.38 31.73 1k8m s VAL 21 CO 0.30 0.15 0.25 1.17 0.00 0.00 0.00 175.10 176.97 1k8m n LYS 22 N 3.94 0.67 -3.88 2.72 3.00 0.38 -4.07 118.16 120.92 1k8m n LYS 22 Ca 0.06 0.09 -0.16 0.00 -0.00 0.00 0.00 58.31 58.30 1k8m n LYS 22 Cb 0.51 -1.61 -0.16 0.00 0.00 0.00 0.00 35.03 33.77 1k8m n LYS 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1k8m s GLU 23 N -2.53 0.19 -0.15 1.64 2.02 -0.68 -4.98 118.70 114.22 1k8m s GLU 23 Ca -0.09 0.10 -0.00 0.00 0.02 0.00 0.00 54.97 55.00 1k8m s GLU 23 Cb 0.07 -0.39 0.03 0.00 0.10 0.00 0.00 34.13 33.94 1k8m s GLU 23 CO 0.82 -0.14 -0.08 -1.58 0.02 0.00 0.00 175.26 174.31 1k8m s TRP 24 N 0.98 1.77 -0.16 1.61 0.52 -1.26 -1.03 118.94 121.36 1k8m s TRP 24 Ca -0.09 -1.04 0.15 0.00 0.02 0.00 0.00 56.10 55.13 1k8m s TRP 24 Cb -0.13 -1.36 0.35 0.00 -1.15 0.00 0.00 33.47 31.18 1k8m s TRP 24 CO -0.02 -0.60 1.18 0.66 0.02 0.00 0.00 176.95 178.19 1k8m n TYR 25 N 4.86 0.00 -3.82 -1.98 4.01 -1.08 -5.05 117.16 114.11 1k8m n TYR 25 Ca -0.13 -1.18 -0.10 0.00 -0.16 0.00 0.00 57.90 56.33 1k8m n TYR 25 Cb 0.49 -0.20 -0.06 0.00 -0.31 0.00 0.00 39.34 39.26 1k8m n TYR 25 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1k8m s VAL 26 N -2.77 0.08 0.13 -0.72 -7.23 -1.26 -4.80 120.40 103.83 1k8m s VAL 26 Ca 0.34 -1.03 -0.03 0.00 -1.81 0.00 0.00 61.98 59.45 1k8m s VAL 26 Cb 0.32 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 1k8m s VAL 26 CO -0.03 -0.34 0.10 -0.54 -0.31 0.00 0.00 175.10 173.98 1k8m s LYS 27 N -3.89 0.94 0.25 4.82 -0.14 -1.26 -5.07 119.74 115.39 1k8m s LYS 27 Ca 0.10 -1.34 -0.31 0.00 -1.36 0.00 0.00 55.97 53.06 1k8m s LYS 27 Cb 0.02 0.27 -0.13 0.00 -1.68 0.00 0.00 37.83 36.31 1k8m s LYS 27 CO -0.06 -0.28 1.38 0.39 -0.76 0.00 0.00 175.35 176.03 1k8m n GLU 28 N -0.10 2.00 -0.89 1.68 1.02 -1.26 -0.51 120.64 122.57 1k8m n GLU 28 Ca -0.07 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1k8m n GLU 28 Cb 0.63 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 1k8m n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k8m n GLY 29 N 2.03 0.54 3.93 0.62 0.00 0.46 -4.88 105.19 107.88 1k8m n GLY 29 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1k8m n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k8m s ASP 30 N -2.42 6.38 0.04 1.61 -1.08 0.58 -4.79 116.67 116.99 1k8m s ASP 30 Ca 0.00 0.37 -0.01 0.00 -0.52 0.00 0.00 52.55 52.39 1k8m s ASP 30 Cb 0.00 -2.00 -0.04 0.00 -1.46 0.00 0.00 42.92 39.42 1k8m s ASP 30 CO 0.00 -0.02 0.21 -0.89 0.52 0.00 0.00 175.17 174.99 1k8m s THR 31 N -1.83 5.40 0.30 1.71 2.01 -1.26 0.15 115.64 122.11 1k8m s THR 31 Ca 0.38 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 62.16 1k8m s THR 31 Cb -0.11 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1k8m s THR 31 CO 0.29 0.20 0.25 0.68 -0.69 0.00 0.00 174.62 175.35 1k8m s VAL 32 N -1.45 3.93 0.22 3.82 -7.23 0.43 -4.90 120.40 115.22 1k8m s VAL 32 Ca 0.33 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 1k8m s VAL 32 Cb -0.13 -3.28 -0.05 0.00 0.56 0.00 0.00 36.38 33.48 1k8m s VAL 32 CO 0.25 -0.25 0.06 -0.44 -0.31 0.00 0.00 175.10 174.41 1k8m s SER 33 N -3.93 1.19 0.54 4.85 0.01 -1.21 -1.93 113.70 113.21 1k8m s SER 33 Ca 0.38 -1.30 0.22 0.00 1.31 0.00 0.00 55.95 56.55 1k8m s SER 33 Cb -0.07 0.15 1.40 0.00 0.21 0.00 0.00 66.02 67.71 1k8m s SER 33 CO 0.26 -0.67 2.09 1.56 0.41 0.00 0.00 173.24 176.89 1k8m h GLN 34 N 2.51 0.00 0.00 12.44 4.20 -1.88 -1.35 115.11 131.02 1k8m h GLN 34 Ca -0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1k8m h GLN 34 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1k8m h GLN 34 CO 0.61 0.00 -1.76 0.34 -0.67 0.00 0.00 178.83 177.35 1k8m n PHE 35 N -4.34 0.18 -3.16 2.96 7.35 -1.26 -4.14 117.46 115.05 1k8m n PHE 35 Ca 0.02 0.05 -0.45 0.00 -0.76 0.00 0.00 57.45 56.31 1k8m n PHE 35 Cb 0.31 -0.57 -0.04 0.00 0.35 0.00 0.00 39.48 39.54 1k8m n PHE 35 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1k8m s ASP 36 N -4.61 6.39 0.81 -2.13 1.11 -0.51 -5.03 116.67 112.71 1k8m s ASP 36 Ca -0.06 -1.87 -0.11 0.00 0.18 0.00 0.00 52.55 50.69 1k8m s ASP 36 Cb 0.13 -2.29 0.08 0.00 1.07 0.00 0.00 42.92 41.92 1k8m s ASP 36 CO 0.88 -0.95 1.13 -0.94 1.18 0.00 0.00 175.17 176.47 1k8m s SER 37 N 3.28 3.92 0.00 0.27 1.04 -1.26 -3.36 113.70 117.59 1k8m s SER 37 Ca 0.15 2.05 0.00 0.00 0.48 0.00 0.00 55.95 58.63 1k8m s SER 37 Cb -0.18 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1k8m s SER 37 CO -0.00 -2.44 0.00 -0.38 0.98 0.00 0.00 173.24 171.40 1k8m n ILE 38 N -3.59 0.00 -4.18 -1.02 5.41 -0.96 -4.02 119.36 111.00 1k8m n ILE 38 Ca 0.11 0.26 -0.18 0.00 1.00 0.00 0.00 62.75 63.93 1k8m n ILE 38 Cb 0.52 -0.93 -0.12 0.00 -0.71 0.00 0.00 39.64 38.40 1k8m n ILE 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k8m s GLU 40 N -1.80 0.45 0.08 0.00 2.02 -0.20 -1.42 118.70 117.82 1k8m s GLU 40 Ca -0.01 0.09 0.10 0.00 0.02 0.00 0.00 54.97 55.16 1k8m s GLU 40 Cb -0.10 -0.70 -0.03 0.00 0.10 0.00 0.00 34.13 33.40 1k8m s GLU 40 CO 0.02 -0.20 -0.26 0.14 0.02 0.00 0.00 175.26 174.99 1k8m s VAL 41 N 1.42 2.13 -0.07 2.63 -7.23 -0.25 0.14 120.40 119.17 1k8m s VAL 41 Ca -0.04 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1k8m s VAL 41 Cb -0.13 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 34.98 1k8m s VAL 41 CO -0.03 0.21 -0.04 -1.10 -0.31 0.00 0.00 175.10 173.83 1k8m s GLN 42 N -1.63 0.97 0.17 4.82 -0.21 -1.25 -0.52 119.66 122.01 1k8m s GLN 42 Ca 0.12 -0.09 0.10 0.00 0.02 0.00 0.00 55.36 55.51 1k8m s GLN 42 Cb -0.10 -1.07 -0.04 0.00 1.00 0.00 0.00 33.01 32.80 1k8m s GLN 42 CO 0.04 -0.17 -0.20 0.45 -2.12 0.00 0.00 175.29 173.29 1k8m s SER 43 N 1.36 3.69 0.52 5.90 0.15 -0.28 -4.73 113.70 120.31 1k8m s SER 43 Ca -0.04 -0.74 0.32 0.00 0.70 0.00 0.00 55.95 56.19 1k8m s SER 43 Cb -0.13 -0.41 1.45 0.00 -1.71 0.00 0.00 66.02 65.22 1k8m s SER 43 CO -0.03 0.13 1.83 -0.78 1.20 0.00 0.00 173.24 175.60 1k8m h ASP 44 N 3.28 0.08 0.14 5.45 1.82 -2.01 -2.18 116.42 123.00 1k8m h ASP 44 Ca -0.47 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.17 1k8m h ASP 44 Cb 1.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1k8m h ASP 44 CO 0.48 0.02 -0.07 0.50 -1.61 0.00 0.00 179.24 178.56 1k8m h LYS 45 N 0.07 -0.18 -3.75 0.28 3.64 -2.02 -3.48 116.57 111.13 1k8m h LYS 45 Ca 0.52 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.81 1k8m h LYS 45 Cb 1.92 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 33.63 1k8m h LYS 45 CO -0.05 -0.12 -0.40 0.00 -2.27 0.00 0.00 179.45 176.61 1k8m s ALA 46 N -3.04 -0.22 -0.15 5.00 0.00 -0.82 -5.15 121.76 117.37 1k8m s ALA 46 Ca -0.03 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 1k8m s ALA 46 Cb 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 1k8m s ALA 46 CO 0.08 -0.45 -0.00 -1.12 0.00 0.00 0.00 175.76 174.27 1k8m s SER 47 N -2.59 5.09 -0.05 0.00 0.01 -1.26 -1.12 113.70 113.78 1k8m s SER 47 Ca 0.01 -0.03 0.05 0.00 1.31 0.00 0.00 55.95 57.30 1k8m s SER 47 Cb 0.03 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.47 1k8m s SER 47 CO -0.08 0.20 -0.21 -0.69 0.41 0.00 0.00 173.24 172.87 1k8m s VAL 48 N 0.17 1.75 -0.08 3.43 1.01 0.32 -4.98 120.40 122.01 1k8m s VAL 48 Ca 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1k8m s VAL 48 Cb -0.13 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1k8m s VAL 48 CO 0.02 0.49 -0.18 0.42 0.00 0.00 0.00 175.10 175.85 1k8m s THR 49 N -0.03 1.62 -0.45 3.92 -4.23 -1.26 -1.09 115.64 114.11 1k8m s THR 49 Ca -0.05 -0.76 -0.15 0.00 -1.18 0.00 0.00 61.69 59.55 1k8m s THR 49 Cb -0.13 -1.43 0.06 0.00 1.34 0.00 0.00 72.50 72.34 1k8m s THR 49 CO 0.03 0.46 0.36 -0.63 -0.54 0.00 0.00 174.62 174.30 1k8m s ILE 50 N 0.49 5.20 0.80 2.99 -1.09 -0.51 -5.02 121.20 124.07 1k8m s ILE 50 Ca -0.17 -0.94 -0.05 0.00 -2.23 0.00 0.00 60.65 57.26 1k8m s ILE 50 Cb -0.17 -4.04 0.16 0.00 -1.58 0.00 0.00 42.46 36.83 1k8m s ILE 50 CO 0.06 -0.48 1.10 0.42 -1.23 0.00 0.00 174.94 174.82 1k8m s THR 51 N 1.65 2.06 -0.18 2.92 -4.23 -1.26 -2.28 115.64 114.32 1k8m s THR 51 Ca 0.04 -0.43 -0.08 0.00 -1.18 0.00 0.00 61.69 60.05 1k8m s THR 51 Cb -0.22 -2.63 -0.08 0.00 1.34 0.00 0.00 72.50 70.90 1k8m s THR 51 CO 0.08 0.00 -0.22 -1.20 -0.54 0.00 0.00 174.62 172.74 1k8m n SER 52 N -3.14 1.36 0.00 3.99 7.64 -1.26 -4.67 113.62 117.54 1k8m n SER 52 Ca 0.16 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1k8m n SER 52 Cb 0.60 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1k8m n SER 52 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1k8m n ARG 53 N -3.72 -0.80 -3.69 1.43 1.85 -1.26 -4.86 116.66 105.62 1k8m n ARG 53 Ca -0.34 0.20 0.02 0.00 -1.00 0.00 0.00 57.85 56.72 1k8m n ARG 53 Cb 0.75 -4.05 -0.00 0.00 -1.05 0.00 0.00 32.46 28.12 1k8m n ARG 53 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1k8m s TYR 54 N -1.66 -0.03 -0.26 2.89 2.02 -1.26 -4.86 117.35 114.19 1k8m s TYR 54 Ca 0.00 -0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 56.49 1k8m s TYR 54 Cb 0.00 0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 42.07 1k8m s TYR 54 CO 0.00 -0.28 0.28 0.16 -1.57 0.00 0.00 175.55 174.13 1k8m s ASP 55 N -3.14 6.18 0.22 2.29 1.47 -1.26 -3.30 116.67 119.12 1k8m s ASP 55 Ca 0.17 0.19 0.03 0.00 1.18 0.00 0.00 52.55 54.13 1k8m s ASP 55 Cb 0.04 -2.16 -0.05 0.00 -0.34 0.00 0.00 42.92 40.40 1k8m s ASP 55 CO -0.03 -0.08 -0.01 -0.83 0.68 0.00 0.00 175.17 174.90 1k8m s GLY 56 N 1.48 1.47 -0.26 2.12 0.00 -0.81 -4.77 107.32 106.54 1k8m s GLY 56 Ca 0.12 -1.72 -0.09 0.00 0.00 0.00 0.00 44.72 43.03 1k8m s GLY 56 CO 0.09 -1.64 0.12 0.14 0.00 0.00 0.00 173.10 171.80 1k8m s VAL 57 N -3.43 4.77 -0.23 1.40 1.01 -0.89 0.16 120.40 123.20 1k8m s VAL 57 Ca 0.27 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 1k8m s VAL 57 Cb 0.05 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 1k8m s VAL 57 CO 0.07 0.31 0.19 -0.63 0.00 0.00 0.00 175.10 175.04 1k8m s ILE 58 N 1.59 5.35 -0.23 2.22 1.01 0.39 -0.92 121.20 130.61 1k8m s ILE 58 Ca 0.06 0.25 0.05 0.00 0.00 0.00 0.00 60.65 61.02 1k8m s ILE 58 Cb -0.15 -3.52 -0.19 0.00 0.01 0.00 0.00 42.46 38.60 1k8m s ILE 58 CO 0.07 0.35 -0.11 1.17 0.00 0.00 0.00 174.94 176.42 1k8m n LYS 59 N 4.18 0.67 -3.78 2.79 4.81 -1.05 0.17 118.16 125.95 1k8m n LYS 59 Ca -0.14 0.13 -0.13 0.00 -0.87 0.00 0.00 58.31 57.30 1k8m n LYS 59 Cb 0.52 -1.54 -0.10 0.00 0.02 0.00 0.00 35.03 33.93 1k8m n LYS 59 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1k8m s LYS 60 N -2.52 0.47 -0.07 1.64 0.00 -1.26 -1.67 119.74 116.33 1k8m s LYS 60 Ca -0.28 0.14 -0.01 0.00 0.00 0.00 0.00 55.97 55.82 1k8m s LYS 60 Cb 0.08 0.21 0.03 0.00 0.00 0.00 0.00 37.83 38.15 1k8m s LYS 60 CO 0.67 -0.09 -0.02 -0.51 0.00 0.00 0.00 175.35 175.39 1k8m s LEU 61 N -0.47 0.84 -0.26 2.77 1.43 -1.26 -3.85 118.68 117.88 1k8m s LEU 61 Ca -0.06 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1k8m s LEU 61 Cb -0.04 -0.48 -0.17 0.00 0.03 0.00 0.00 46.19 45.54 1k8m s LEU 61 CO 0.02 -0.15 -0.22 0.00 0.23 0.00 0.00 176.35 176.23 1k8m n TYR 62 N 4.84 0.07 -3.41 0.29 9.36 -1.26 -4.90 117.16 122.15 1k8m n TYR 62 Ca -0.12 0.02 -0.38 0.00 3.32 0.00 0.00 57.90 60.73 1k8m n TYR 62 Cb 0.50 -1.01 -0.06 0.00 -0.63 0.00 0.00 39.34 38.14 1k8m n TYR 62 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1k8m s TYR 63 N -2.52 3.71 0.15 2.98 2.02 -1.26 -5.01 117.35 117.42 1k8m s TYR 63 Ca -0.35 1.05 0.00 0.00 -0.37 0.00 0.00 57.07 57.40 1k8m s TYR 63 Cb 0.10 -2.38 0.00 0.00 -0.40 0.00 0.00 41.96 39.28 1k8m s TYR 63 CO 0.59 0.55 0.03 0.09 -1.57 0.00 0.00 175.55 175.24 1k8m n ASN 64 N 2.11 2.13 0.29 2.29 4.13 -1.26 -4.94 115.26 120.01 1k8m n ASN 64 Ca -0.12 -1.61 0.18 0.00 1.68 0.00 0.00 54.58 54.71 1k8m n ASN 64 Cb 0.52 0.07 0.89 0.00 -1.54 0.00 0.00 39.78 39.72 1k8m n ASN 64 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1k8m h LEU 65 N 0.00 0.00 0.00 3.41 3.38 -1.94 -1.92 115.31 118.24 1k8m h LEU 65 Ca -0.11 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 1k8m h LEU 65 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1k8m h LEU 65 CO 0.19 0.00 -1.98 -0.67 0.09 0.00 0.00 178.44 176.07 1k8m n ASP 66 N -3.18 1.06 -4.81 -0.43 2.03 -1.26 -3.99 116.55 105.97 1k8m n ASP 66 Ca -0.00 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.97 1k8m n ASP 66 Cb 0.34 1.24 -0.03 0.00 -0.72 0.00 0.00 41.12 41.95 1k8m n ASP 66 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1k8m s ASP 67 N -4.58 6.39 -0.08 1.67 1.01 -0.72 -4.83 116.67 115.52 1k8m s ASP 67 Ca -0.07 1.80 -0.02 0.00 0.71 0.00 0.00 52.55 54.97 1k8m s ASP 67 Cb 0.07 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 1k8m s ASP 67 CO 0.68 -0.75 0.03 -0.63 0.21 0.00 0.00 175.17 174.71 1k8m s ILE 68 N -2.21 4.50 0.10 0.77 -1.09 -1.26 -2.64 121.20 119.36 1k8m s ILE 68 Ca 0.64 -0.21 0.05 0.00 -2.23 0.00 0.00 60.65 58.90 1k8m s ILE 68 Cb -0.14 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 1k8m s ILE 68 CO 0.24 0.58 0.02 0.00 -1.23 0.00 0.00 174.94 174.55 1k8m s ALA 69 N -0.93 3.36 0.04 9.38 0.00 0.12 -4.91 121.76 128.81 1k8m s ALA 69 Ca 0.14 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 51.06 1k8m s ALA 69 Cb -0.11 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1k8m s ALA 69 CO 0.04 0.69 -0.17 0.71 0.00 0.00 0.00 175.76 177.03 1k8m s TYR 70 N -1.37 2.60 0.18 0.00 2.02 -1.26 -2.79 117.35 116.72 1k8m s TYR 70 Ca 0.27 -0.23 -0.30 0.00 -0.37 0.00 0.00 57.07 56.44 1k8m s TYR 70 Cb -0.12 -1.48 -0.08 0.00 -0.40 0.00 0.00 41.96 39.89 1k8m s TYR 70 CO 0.19 0.26 1.10 0.08 -1.57 0.00 0.00 175.55 175.62 1k8m s VAL 71 N -0.93 3.86 0.00 0.71 1.01 -1.26 -3.91 120.40 119.88 1k8m s VAL 71 Ca 0.15 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1k8m s VAL 71 Cb -0.11 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1k8m s VAL 71 CO 0.06 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1k8m n GLY 72 N 2.03 1.11 3.22 4.51 0.00 -1.26 -4.70 105.19 110.10 1k8m n GLY 72 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1k8m n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k8m s LYS 73 N -0.10 0.36 0.80 1.61 2.20 -1.25 -5.13 119.74 118.23 1k8m s LYS 73 Ca 0.00 0.68 -0.14 0.00 -0.36 0.00 0.00 55.97 56.15 1k8m s LYS 73 Cb 0.00 0.00 0.07 0.00 -1.51 0.00 0.00 37.83 36.39 1k8m s LYS 73 CO 0.00 -0.14 1.13 -2.30 -0.36 0.00 0.00 175.35 173.68 1k8m n PRO 74 N 3.98 0.23 0.00 4.03 -0.02 -1.26 -4.16 135.00 137.80 1k8m n PRO 74 Ca -0.22 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1k8m n PRO 74 Cb 0.55 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1k8m n PRO 74 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1k8m n LEU 75 N -2.88 1.28 -3.97 2.45 -0.00 0.85 -4.91 117.00 109.82 1k8m n LEU 75 Ca 0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.04 1k8m n LEU 75 Cb 0.50 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.80 1k8m n LEU 75 CO 0.48 0.21 -0.37 0.54 -0.00 0.00 0.00 177.39 178.26 1k8m s VAL 76 N -2.00 0.17 -0.18 1.47 0.11 -1.09 -4.02 120.40 114.87 1k8m s VAL 76 Ca 0.00 -0.73 -0.03 0.00 -2.93 0.00 0.00 61.98 58.29 1k8m s VAL 76 Cb 0.00 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.56 1k8m s VAL 76 CO 0.00 -0.35 -0.05 -1.81 -3.33 0.00 0.00 175.10 169.56 1k8m s ASP 77 N -1.13 4.49 0.03 3.54 1.11 -1.25 -0.67 116.67 122.79 1k8m s ASP 77 Ca -0.11 -0.27 0.02 0.00 0.18 0.00 0.00 52.55 52.37 1k8m s ASP 77 Cb -0.08 -1.74 -0.02 0.00 1.07 0.00 0.00 42.92 42.15 1k8m s ASP 77 CO -0.01 0.09 -0.07 -0.63 1.18 0.00 0.00 175.17 175.73 1k8m s ILE 78 N 0.84 0.47 -0.36 0.77 1.09 0.86 -2.53 121.20 122.35 1k8m s ILE 78 Ca -0.01 -0.93 -0.14 0.00 -1.10 0.00 0.00 60.65 58.46 1k8m s ILE 78 Cb -0.15 -0.53 -0.01 0.00 -1.06 0.00 0.00 42.46 40.72 1k8m s ILE 78 CO 0.01 -0.32 0.30 -1.61 -0.10 0.00 0.00 174.94 173.23 1k8m s GLU 79 N -1.35 3.40 0.05 2.79 2.02 -0.10 0.22 118.70 125.73 1k8m s GLU 79 Ca -0.09 -0.64 -0.03 0.00 0.02 0.00 0.00 54.97 54.24 1k8m s GLU 79 Cb -0.09 -3.85 -0.03 0.00 0.10 0.00 0.00 34.13 30.27 1k8m s GLU 79 CO 0.00 -0.55 0.02 0.95 0.02 0.00 0.00 175.26 175.70 1k8m s THR 80 N 1.84 0.17 0.56 3.63 -4.23 -1.26 -2.09 115.64 114.27 1k8m s THR 80 Ca 0.08 -1.42 -0.20 0.00 -1.18 0.00 0.00 61.69 58.96 1k8m s THR 80 Cb -0.17 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.48 1k8m s THR 80 CO 0.11 -0.79 1.15 1.21 -0.54 0.00 0.00 174.62 175.77 1k8m n GLU 81 N 0.51 1.28 -1.39 3.99 2.13 -1.26 -4.72 120.64 121.19 1k8m n GLU 81 Ca -0.17 0.48 -0.61 0.00 0.66 0.00 0.00 57.16 57.52 1k8m n GLU 81 Cb 0.59 -2.34 -0.11 0.00 0.27 0.00 0.00 31.44 29.86 1k8m n GLU 81 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1k8m n ALA 82 N -1.31 -0.08 -2.52 4.31 0.00 -1.26 -4.92 120.51 114.74 1k8m n ALA 82 Ca 0.12 0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 1k8m n ALA 82 Cb 0.45 -2.08 -0.16 0.00 0.00 0.00 0.00 19.45 17.66 1k8m n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k8m s LEU 83 N 5.35 2.08 0.59 0.00 1.02 -1.26 -5.00 118.68 121.47 1k8m s LEU 83 Ca 1.15 -0.48 0.30 0.00 0.02 0.00 0.00 54.13 55.12 1k8m s LEU 83 Cb -1.44 -1.36 1.73 0.00 0.02 0.00 0.00 46.19 45.14 1k8m s LEU 83 CO 0.68 0.28 2.15 0.11 0.02 0.00 0.00 176.35 179.59 1k8m h LYS 84 N 5.77 0.00 -0.70 1.70 1.57 -1.89 0.28 116.57 123.30 1k8m h LYS 84 Ca -0.38 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1k8m h LYS 84 Cb 1.15 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.34 1k8m h LYS 84 CO 0.47 0.00 0.06 -0.44 -0.57 0.00 0.00 179.45 178.98 1k8m h ASP 85 N 0.00 -0.20 0.00 0.86 3.32 -1.99 -1.28 116.42 117.14 1k8m h ASP 85 Ca 0.06 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1k8m h ASP 85 Cb 0.35 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1k8m h ASP 85 CO -0.00 -0.11 -1.12 -0.11 -1.72 0.00 0.00 179.24 176.18 1k8m n LEU 86 N -5.26 0.16 0.00 1.55 0.00 -1.13 -5.17 117.00 107.15 1k8m n LEU 86 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 56.01 55.96 1k8m n LEU 86 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.85 1k8m n LEU 86 CO 0.09 0.04 0.00 -0.62 0.00 0.00 0.00 177.39 176.90