#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1skw s ILE 4 N 0.00 4.88 -0.31 -0.18 1.01 -1.26 -4.73 121.20 120.61 1skw s ILE 4 Ca 0.00 1.17 -0.22 0.00 0.00 0.00 0.00 60.65 61.59 1skw s ILE 4 Cb 0.00 -3.88 -0.00 0.00 0.01 0.00 0.00 42.46 38.58 1skw s ILE 4 CO 0.00 0.48 0.73 -0.63 0.00 0.00 0.00 174.94 175.52 1skw s ILE 5 N -0.57 4.85 -0.43 2.92 1.01 -0.38 -4.96 121.20 123.64 1skw s ILE 5 Ca 0.29 1.06 -0.21 0.00 0.00 0.00 0.00 60.65 61.79 1skw s ILE 5 Cb -0.18 -4.09 0.02 0.00 0.01 0.00 0.00 42.46 38.22 1skw s ILE 5 CO 0.17 -0.20 0.67 -1.00 0.00 0.00 0.00 174.94 174.57 1skw s HIS 6 N 2.82 3.06 0.69 3.97 3.76 -1.26 -0.42 115.29 127.90 1skw s HIS 6 Ca 0.30 0.04 -0.07 0.00 -0.15 0.00 0.00 55.06 55.18 1skw s HIS 6 Cb -0.14 -3.38 0.05 0.00 1.11 0.00 0.00 32.58 30.22 1skw s HIS 6 CO 0.12 -0.86 1.00 -0.51 -0.85 0.00 0.00 174.74 173.64 1skw s LEU 7 N 2.89 2.89 0.11 0.89 1.43 0.35 -4.95 118.68 122.29 1skw s LEU 7 Ca 0.24 0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1skw s LEU 7 Cb -0.14 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1skw s LEU 7 CO 0.19 -1.50 0.02 0.42 0.23 0.00 0.00 176.35 175.71 1skw s THR 8 N -3.21 0.23 0.23 5.49 -4.23 -1.26 -4.71 115.64 108.17 1skw s THR 8 Ca 0.59 -1.89 -0.07 0.00 -1.18 0.00 0.00 61.69 59.13 1skw s THR 8 Cb -0.11 -1.90 0.19 0.00 1.34 0.00 0.00 72.50 72.02 1skw s THR 8 CO 0.45 -0.63 1.85 0.44 -0.54 0.00 0.00 174.62 176.19 1skw h ASP 9 N 2.93 0.78 1.55 3.99 3.32 -1.89 -1.72 116.42 125.38 1skw h ASP 9 Ca -0.35 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1skw h ASP 9 Cb 1.18 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1skw h ASP 9 CO 0.62 0.52 0.00 0.44 -1.72 0.00 0.00 179.24 179.09 1skw h ASP 10 N 0.92 0.00 0.04 6.45 3.32 -2.00 -3.18 116.42 121.97 1skw h ASP 10 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1skw h ASP 10 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1skw h ASP 10 CO -0.15 0.00 -0.81 -1.54 -1.72 0.00 0.00 179.24 175.02 1skw n SER 11 N -2.87 1.22 0.00 6.45 3.41 -0.99 -4.58 113.62 116.26 1skw n SER 11 Ca 0.03 -1.07 -0.10 0.00 -0.26 0.00 0.00 58.87 57.47 1skw n SER 11 Cb 0.43 0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 65.14 1skw n SER 11 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1skw h PHE 12 N 0.64 -0.70 -0.35 7.33 3.04 -1.30 -1.62 116.94 123.98 1skw h PHE 12 Ca 0.00 0.03 0.08 0.00 3.98 0.00 0.00 57.97 62.06 1skw h PHE 12 Cb 0.56 0.33 -0.08 0.00 2.56 0.00 0.00 35.95 39.32 1skw h PHE 12 CO 0.00 -0.34 -0.24 0.22 -2.02 0.00 0.00 178.31 175.93 1skw h ASP 13 N -0.33 -0.80 -0.03 0.41 1.82 -1.81 0.36 116.42 116.05 1skw h ASP 13 Ca 0.10 0.16 -0.23 0.00 -0.39 0.00 0.00 57.03 56.67 1skw h ASP 13 Cb 0.48 0.40 0.02 0.00 0.68 0.00 0.00 39.33 40.90 1skw h ASP 13 CO -0.32 -0.27 -0.86 0.71 -1.61 0.00 0.00 179.24 176.89 1skw h THR 14 N -0.19 1.32 -0.15 2.25 1.35 -1.85 -0.98 112.91 114.65 1skw h THR 14 Ca 0.17 -2.14 -0.10 0.00 -0.55 0.00 0.00 66.41 63.79 1skw h THR 14 Cb 0.47 2.38 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 1skw h THR 14 CO -0.47 0.65 -0.36 0.44 -0.25 0.00 0.00 175.52 175.53 1skw h ASP 15 N 0.27 0.33 0.00 5.36 3.32 -1.18 -3.19 116.42 121.33 1skw h ASP 15 Ca -0.10 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1skw h ASP 15 Cb 1.53 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1skw h ASP 15 CO 0.17 0.68 -0.51 0.52 -1.72 0.00 0.00 179.24 178.38 1skw n VAL 16 N -4.06 1.12 0.13 -1.35 0.31 0.10 -4.39 118.33 110.20 1skw n VAL 16 Ca -0.01 0.25 0.01 0.00 -0.01 0.00 0.00 64.34 64.58 1skw n VAL 16 Cb 0.46 -1.92 0.32 0.00 -0.91 0.00 0.00 33.84 31.78 1skw n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1skw h LEU 17 N -0.51 0.16 -2.13 7.52 3.38 -1.37 -3.01 115.31 119.35 1skw h LEU 17 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1skw h LEU 17 Cb 0.51 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1skw h LEU 17 CO 0.00 0.48 0.00 0.29 0.09 0.00 0.00 178.44 179.30 1skw n LYS 18 N -4.12 2.18 -1.58 1.13 5.02 -0.45 -2.67 118.16 117.67 1skw n LYS 18 Ca -0.01 -2.00 -0.31 0.00 -2.02 0.00 0.00 58.31 53.96 1skw n LYS 18 Cb 0.39 -1.44 0.05 0.00 -0.02 0.00 0.00 35.03 34.02 1skw n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1skw s ALA 19 N -1.50 2.61 -0.15 7.82 0.00 -1.14 -5.00 121.76 124.40 1skw s ALA 19 Ca 0.31 0.16 -0.07 0.00 0.00 0.00 0.00 51.96 52.36 1skw s ALA 19 Cb 0.19 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1skw s ALA 19 CO 0.27 -1.26 0.09 -0.51 0.00 0.00 0.00 175.76 174.35 1skw s ASP 20 N -3.57 5.95 0.00 0.00 1.11 -1.26 -4.53 116.67 114.36 1skw s ASP 20 Ca 0.59 0.26 0.00 0.00 0.18 0.00 0.00 52.55 53.58 1skw s ASP 20 Cb -0.15 -1.95 0.00 0.00 1.07 0.00 0.00 42.92 41.89 1skw s ASP 20 CO 0.53 0.29 0.00 0.61 1.18 0.00 0.00 175.17 177.77 1skw n GLY 21 N 2.78 0.56 3.72 0.21 0.00 -1.26 -4.96 105.19 106.24 1skw n GLY 21 Ca -0.18 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 1skw n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1skw s ALA 22 N -1.74 3.27 -0.11 4.61 0.00 -1.26 -4.44 121.76 122.09 1skw s ALA 22 Ca 0.00 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1skw s ALA 22 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1skw s ALA 22 CO 0.00 -0.20 -0.11 0.42 0.00 0.00 0.00 175.76 175.87 1skw s ILE 23 N 0.43 1.25 -0.36 0.00 -1.09 -0.55 -1.53 121.20 119.35 1skw s ILE 23 Ca 0.51 -0.46 -0.13 0.00 -2.23 0.00 0.00 60.65 58.34 1skw s ILE 23 Cb -0.25 -1.20 -0.01 0.00 -1.58 0.00 0.00 42.46 39.43 1skw s ILE 23 CO 0.30 0.40 0.26 -0.22 -1.23 0.00 0.00 174.94 174.45 1skw s LEU 24 N 1.36 4.70 -0.19 2.97 2.96 0.29 0.15 118.68 130.93 1skw s LEU 24 Ca -0.00 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 53.23 1skw s LEU 24 Cb -0.14 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 1skw s LEU 24 CO -0.06 -0.30 0.12 -0.69 -1.32 0.00 0.00 176.35 174.10 1skw s VAL 25 N 1.71 5.31 -0.36 1.68 1.01 0.13 0.14 120.40 130.00 1skw s VAL 25 Ca 0.06 0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 1skw s VAL 25 Cb -0.18 -3.41 0.06 0.00 0.00 0.00 0.00 36.38 32.85 1skw s VAL 25 CO 0.10 0.46 0.15 -0.62 0.00 0.00 0.00 175.10 175.19 1skw s ASP 26 N 0.23 5.36 -0.27 3.32 2.15 0.87 -0.77 116.67 127.56 1skw s ASP 26 Ca 0.08 -1.35 -0.26 0.00 0.43 0.00 0.00 52.55 51.45 1skw s ASP 26 Cb -0.11 -1.88 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 1skw s ASP 26 CO -0.01 -0.40 0.90 -0.36 -0.17 0.00 0.00 175.17 175.13 1skw s PHE 27 N 1.36 3.26 0.19 -5.34 0.40 0.10 -1.44 117.98 116.53 1skw s PHE 27 Ca 0.00 1.13 -0.03 0.00 -0.60 0.00 0.00 56.93 57.43 1skw s PHE 27 Cb -0.21 -3.24 -0.03 0.00 0.51 0.00 0.00 43.02 40.05 1skw s PHE 27 CO 0.01 -0.52 0.18 1.67 0.70 0.00 0.00 175.22 177.27 1skw s TRP 28 N 3.07 0.92 -0.02 0.36 1.48 -0.82 -2.15 118.94 121.78 1skw s TRP 28 Ca 0.38 -1.20 -0.03 0.00 -1.06 0.00 0.00 56.10 54.18 1skw s TRP 28 Cb -0.14 -0.39 0.00 0.00 -1.16 0.00 0.00 33.47 31.78 1skw s TRP 28 CO 0.10 -0.68 0.07 0.00 -4.06 0.00 0.00 176.95 172.38 1skw s ALA 29 N -4.10 -0.17 0.52 2.67 0.00 -1.26 -0.75 121.76 118.66 1skw s ALA 29 Ca 0.32 0.01 0.23 0.00 0.00 0.00 0.00 51.96 52.53 1skw s ALA 29 Cb 0.06 -0.04 1.48 0.00 0.00 0.00 0.00 23.12 24.62 1skw s ALA 29 CO 0.09 -0.10 2.16 0.93 0.00 0.00 0.00 175.76 178.84 1skw h GLU 30 N 5.42 0.00 -0.30 0.00 5.08 -2.01 -2.70 114.58 120.08 1skw h GLU 30 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1skw h GLU 30 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1skw h GLU 30 CO 0.44 0.05 0.00 -2.67 -1.00 0.00 0.00 179.01 175.82 1skw n TRP 31 N -4.09 0.40 -3.75 4.33 4.27 -1.26 -4.84 117.44 112.50 1skw n TRP 31 Ca -0.03 -0.20 -0.36 0.00 -3.89 0.00 0.00 57.50 53.02 1skw n TRP 31 Cb 0.13 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 29.97 1skw n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1skw h GLY 33 N 7.76 -0.19 0.67 0.00 0.00 -1.89 -2.89 103.07 106.52 1skw h GLY 33 Ca -0.37 0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.14 1skw h GLY 33 CO 0.62 -0.07 0.58 -2.55 0.00 0.00 0.00 176.54 175.11 1skw h PRO 34 N -0.32 0.82 -0.87 4.80 0.11 -1.95 -1.18 132.00 133.41 1skw h PRO 34 Ca -0.02 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1skw h PRO 34 Cb 0.26 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.14 1skw h PRO 34 CO 0.03 0.54 0.55 0.00 -0.21 0.00 0.00 178.00 178.91 1skw h LYS 36 N 1.19 0.00 -0.13 0.00 1.57 -1.04 -2.10 116.57 116.07 1skw h LYS 36 Ca 0.32 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.96 1skw h LYS 36 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1skw h LYS 36 CO -0.06 0.20 -0.46 0.52 -0.57 0.00 0.00 179.45 179.08 1skw h MET 37 N 0.00 0.54 0.00 3.15 2.86 -0.48 -3.28 114.93 117.72 1skw h MET 37 Ca -0.00 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1skw h MET 37 Cb 0.61 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1skw h MET 37 CO 0.03 1.03 -0.14 0.97 1.06 0.00 0.00 176.91 179.86 1skw h ILE 38 N 0.16 0.00 -0.36 -1.22 2.10 -1.22 -3.37 117.51 113.59 1skw h ILE 38 Ca -0.02 -0.87 0.07 0.00 1.08 0.00 0.00 64.86 65.12 1skw h ILE 38 Cb 1.09 1.79 -0.09 0.00 -1.09 0.00 0.00 36.82 38.53 1skw h ILE 38 CO 0.10 0.00 -0.39 0.00 -1.08 0.00 0.00 178.15 176.78 1skw h ALA 39 N 2.13 -0.37 -0.86 0.18 0.00 -1.44 -0.34 119.26 118.57 1skw h ALA 39 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1skw h ALA 39 Cb 0.94 0.81 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 1skw h ALA 39 CO 0.00 -0.83 0.54 -1.35 0.00 0.00 0.00 179.25 177.61 1skw h PRO 40 N -0.33 0.96 -0.66 0.00 0.11 -1.76 -1.90 132.00 128.42 1skw h PRO 40 Ca 0.14 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 66.26 1skw h PRO 40 Cb 0.57 -0.22 -0.06 0.00 0.11 0.00 0.00 31.00 31.41 1skw h PRO 40 CO -0.54 0.63 0.35 0.82 -0.21 0.00 0.00 178.00 179.06 1skw h ILE 41 N 0.99 0.94 -0.64 4.15 5.03 -1.40 -1.94 117.51 124.64 1skw h ILE 41 Ca 0.37 -0.22 -0.04 0.00 -0.12 0.00 0.00 64.86 64.85 1skw h ILE 41 Cb 0.14 0.24 -0.03 0.00 -3.03 0.00 0.00 36.82 34.13 1skw h ILE 41 CO -0.16 0.12 0.24 -0.07 -0.68 0.00 0.00 178.15 177.59 1skw h LEU 42 N 0.65 0.87 -0.28 1.44 3.38 -0.33 -1.40 115.31 119.64 1skw h LEU 42 Ca 0.30 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1skw h LEU 42 Cb 0.22 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1skw h LEU 42 CO -0.20 0.79 0.06 0.44 0.09 0.00 0.00 178.44 179.62 1skw h ASP 43 N 0.93 0.02 0.23 -0.43 3.32 -0.93 -0.26 116.42 119.29 1skw h ASP 43 Ca 0.21 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 1skw h ASP 43 Cb 0.21 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1skw h ASP 43 CO -0.02 0.04 -0.29 -0.33 -1.72 0.00 0.00 179.24 176.93 1skw h GLU 44 N 0.16 0.11 -0.13 3.56 5.08 -1.19 -2.62 114.58 119.55 1skw h GLU 44 Ca 0.13 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 1skw h GLU 44 Cb 0.13 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1skw h GLU 44 CO -0.17 0.40 -0.55 0.82 -1.00 0.00 0.00 179.01 178.51 1skw h ILE 45 N 0.10 1.35 -0.28 3.13 1.08 -0.41 -2.43 117.51 120.04 1skw h ILE 45 Ca 0.01 -1.84 -0.12 0.00 -0.39 0.00 0.00 64.86 62.53 1skw h ILE 45 Cb 0.57 1.85 -0.01 0.00 -3.07 0.00 0.00 36.82 36.16 1skw h ILE 45 CO 0.04 0.56 -0.32 0.00 -0.69 0.00 0.00 178.15 177.74 1skw h ALA 46 N 1.11 0.92 0.00 1.87 0.00 -0.73 -0.73 119.26 121.70 1skw h ALA 46 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1skw h ALA 46 Cb 1.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1skw h ALA 46 CO 0.09 0.62 -0.33 -0.44 0.00 0.00 0.00 179.25 179.20 1skw h ASP 47 N 0.51 0.00 0.07 0.00 3.32 -1.35 -3.27 116.42 115.71 1skw h ASP 47 Ca 0.06 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.79 1skw h ASP 47 Cb 0.80 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 1skw h ASP 47 CO 0.07 0.33 -1.76 -0.62 -1.72 0.00 0.00 179.24 175.53 1skw n GLU 48 N -3.48 0.68 -0.51 3.56 1.02 -0.93 -4.41 120.64 116.58 1skw n GLU 48 Ca -0.00 0.37 -0.01 0.00 -0.02 0.00 0.00 57.16 57.50 1skw n GLU 48 Cb 0.49 -1.71 0.17 0.00 -0.02 0.00 0.00 31.44 30.37 1skw n GLU 48 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1skw n TYR 49 N -3.84 1.22 -1.84 -0.32 4.02 -0.30 -4.95 117.16 111.15 1skw n TYR 49 Ca -0.33 -0.63 -0.41 0.00 -0.01 0.00 0.00 57.90 56.52 1skw n TYR 49 Cb 0.91 -0.40 -0.01 0.00 -0.02 0.00 0.00 39.34 39.82 1skw n TYR 49 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1skw s GLN 50 N -1.83 4.14 0.00 -0.72 -0.21 -1.23 -1.17 119.66 118.65 1skw s GLN 50 Ca 0.28 2.53 0.00 0.00 0.02 0.00 0.00 55.36 58.19 1skw s GLN 50 Cb 0.22 -3.01 0.00 0.00 1.00 0.00 0.00 33.01 31.23 1skw s GLN 50 CO 0.07 -0.53 0.00 0.41 -2.12 0.00 0.00 175.29 173.12 1skw n GLY 51 N 1.18 1.73 0.00 3.09 0.00 -1.26 -4.72 105.19 105.20 1skw n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1skw n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1skw n LYS 52 N -2.00 2.60 -3.60 1.61 5.02 -0.81 -5.09 118.16 115.89 1skw n LYS 52 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 1skw n LYS 52 Cb 0.00 -0.84 -0.07 0.00 -0.02 0.00 0.00 35.03 34.10 1skw n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1skw s LEU 53 N -3.07 -0.30 -0.13 -0.35 0.20 -0.31 -4.31 118.68 110.41 1skw s LEU 53 Ca 0.00 0.74 -0.01 0.00 0.69 0.00 0.00 54.13 55.55 1skw s LEU 53 Cb 0.00 2.19 -0.02 0.00 -0.43 0.00 0.00 46.19 47.93 1skw s LEU 53 CO 0.00 -0.48 -0.09 -0.89 -0.29 0.00 0.00 176.35 174.60 1skw s THR 54 N -0.82 3.44 -0.18 3.68 2.01 -0.58 -4.32 115.64 118.86 1skw s THR 54 Ca -0.09 -0.53 -0.14 0.00 0.31 0.00 0.00 61.69 61.24 1skw s THR 54 Cb -0.02 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.99 1skw s THR 54 CO 0.07 0.53 0.29 -0.69 -0.69 0.00 0.00 174.62 174.12 1skw s VAL 55 N 0.14 5.29 0.05 3.82 1.01 -1.26 -0.55 120.40 128.91 1skw s VAL 55 Ca -0.04 0.52 0.05 0.00 0.00 0.00 0.00 61.98 62.50 1skw s VAL 55 Cb -0.14 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1skw s VAL 55 CO 0.04 0.35 -0.14 0.00 0.00 0.00 0.00 175.10 175.35 1skw s ALA 56 N 0.75 1.12 0.00 5.51 0.00 0.12 -1.25 121.76 128.02 1skw s ALA 56 Ca 0.15 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1skw s ALA 56 Cb -0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1skw s ALA 56 CO 0.05 0.19 -0.22 0.15 0.00 0.00 0.00 175.76 175.93 1skw s LYS 57 N -1.30 1.68 -0.22 0.00 1.02 0.44 -0.09 119.74 121.27 1skw s LYS 57 Ca 0.00 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.12 1skw s LYS 57 Cb -0.08 -1.69 0.06 0.00 -0.52 0.00 0.00 37.83 35.60 1skw s LYS 57 CO 0.01 0.45 0.02 -1.17 -0.92 0.00 0.00 175.35 173.75 1skw s LEU 58 N -0.75 1.71 -0.33 3.17 2.96 -0.52 -0.50 118.68 124.42 1skw s LEU 58 Ca 0.09 -1.02 -0.29 0.00 -0.22 0.00 0.00 54.13 52.68 1skw s LEU 58 Cb -0.09 -0.79 0.01 0.00 0.50 0.00 0.00 46.19 45.82 1skw s LEU 58 CO 0.00 -0.30 1.26 0.21 -1.32 0.00 0.00 176.35 176.20 1skw s ASN 59 N 1.70 6.68 0.00 3.68 3.84 -1.26 -1.95 114.94 127.63 1skw s ASN 59 Ca -0.01 1.08 0.10 0.00 0.21 0.00 0.00 52.86 54.24 1skw s ASN 59 Cb -0.18 -2.54 0.45 0.00 -0.55 0.00 0.00 41.25 38.43 1skw s ASN 59 CO -0.09 -1.09 1.25 2.30 -2.79 0.00 0.00 177.10 176.67 1skw n ILE 60 N 6.29 1.07 -0.01 -5.21 -5.35 0.07 -1.78 119.36 114.42 1skw n ILE 60 Ca 0.14 0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 62.76 1skw n ILE 60 Cb 0.47 -1.10 -0.14 0.00 -1.74 0.00 0.00 39.64 37.13 1skw n ILE 60 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1skw n ASP 61 N -1.39 1.29 0.10 7.28 8.00 -1.26 -3.56 116.55 127.01 1skw n ASP 61 Ca 0.03 0.34 0.03 0.00 0.71 0.00 0.00 54.79 55.91 1skw n ASP 61 Cb 0.09 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.12 40.85 1skw n ASP 61 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1skw h GLN 62 N 0.02 0.00 -2.78 -1.24 4.20 -1.88 -3.40 115.11 110.04 1skw h GLN 62 Ca -0.34 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 57.77 1skw h GLN 62 Cb 2.02 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 29.41 1skw h GLN 62 CO 0.08 0.33 -0.79 -0.80 -0.67 0.00 0.00 178.83 176.99 1skw s ASN 63 N -6.05 3.15 0.00 1.46 0.01 -0.74 -4.87 114.94 107.90 1skw s ASN 63 Ca 0.01 -3.02 0.29 0.00 -0.71 0.00 0.00 52.86 49.43 1skw s ASN 63 Cb 0.08 -0.93 1.29 0.00 0.41 0.00 0.00 41.25 42.11 1skw s ASN 63 CO 0.77 -0.20 1.89 -0.81 -1.51 0.00 0.00 177.10 177.25 1skw n PRO 64 N 2.99 1.04 0.07 -0.60 -0.04 -1.23 -4.25 135.00 132.98 1skw n PRO 64 Ca 0.18 -0.40 0.04 0.00 -0.04 0.00 0.00 63.50 63.29 1skw n PRO 64 Cb 0.39 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 1skw n PRO 64 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1skw h GLY 65 N 4.94 0.00 0.00 0.55 0.00 -1.94 -3.41 103.07 103.21 1skw h GLY 65 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1skw h GLY 65 CO 0.00 0.00 -0.03 -0.84 0.00 0.00 0.00 176.54 175.67 1skw h THR 66 N 0.00 1.58 -0.65 4.70 2.02 -1.93 -3.39 112.91 115.24 1skw h THR 66 Ca -0.09 -2.19 0.13 0.00 0.77 0.00 0.00 66.41 65.03 1skw h THR 66 Cb 1.36 2.99 -0.12 0.00 -1.74 0.00 0.00 68.15 70.63 1skw h THR 66 CO 0.03 0.53 -0.13 0.00 0.37 0.00 0.00 175.52 176.33 1skw h ALA 67 N -0.12 0.48 -0.97 6.16 0.00 -1.81 -1.73 119.26 121.27 1skw h ALA 67 Ca -0.01 0.24 0.23 0.00 0.00 0.00 0.00 54.91 55.37 1skw h ALA 67 Cb 0.89 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 19.03 1skw h ALA 67 CO -0.00 -0.42 0.55 -1.35 0.00 0.00 0.00 179.25 178.02 1skw h PRO 68 N 0.02 0.56 0.00 0.00 0.11 -1.80 0.79 132.00 131.69 1skw h PRO 68 Ca 0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1skw h PRO 68 Cb 0.50 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1skw h PRO 68 CO -0.65 0.37 0.00 0.87 -0.21 0.00 0.00 178.00 178.38 1skw h LYS 69 N 0.57 0.00 -0.27 1.05 1.57 -1.49 -2.26 116.57 115.74 1skw h LYS 69 Ca 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 1skw h LYS 69 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1skw h LYS 69 CO -0.47 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.07 1skw n TYR 70 N -2.81 0.47 -2.65 -1.35 4.01 0.26 -5.00 117.16 110.09 1skw n TYR 70 Ca -0.02 -0.59 -0.22 0.00 -0.16 0.00 0.00 57.90 56.92 1skw n TYR 70 Cb 0.08 -0.09 0.01 0.00 -0.31 0.00 0.00 39.34 39.03 1skw n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1skw n GLY 71 N 0.11 -0.51 3.69 2.72 0.00 -0.85 -4.93 105.19 105.43 1skw n GLY 71 Ca 0.12 0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1skw n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1skw n ILE 72 N -4.22 0.14 -0.16 -0.61 -0.00 -1.24 -4.85 119.36 108.42 1skw n ILE 72 Ca -0.20 -0.03 0.00 0.00 -0.00 0.00 0.00 62.75 62.52 1skw n ILE 72 Cb 0.66 -1.71 0.00 0.00 -0.00 0.00 0.00 39.64 38.59 1skw n ILE 72 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 1skw n ARG 73 N 3.42 1.76 -3.51 0.38 1.85 -1.26 -4.95 116.66 114.34 1skw n ARG 73 Ca 0.16 -0.20 -0.14 0.00 -1.00 0.00 0.00 57.85 56.67 1skw n ARG 73 Cb 0.32 -0.64 -0.04 0.00 -1.05 0.00 0.00 32.46 31.05 1skw n ARG 73 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1skw s GLY 74 N -0.31 -0.52 0.05 2.89 0.00 -1.26 -5.18 107.32 103.00 1skw s GLY 74 Ca 0.00 0.63 0.01 0.00 0.00 0.00 0.00 44.72 45.36 1skw s GLY 74 CO 0.00 0.31 -0.05 -0.26 0.00 0.00 0.00 173.10 173.10 1skw s ILE 75 N -2.84 0.43 0.37 0.90 -4.36 -1.26 -3.90 121.20 110.53 1skw s ILE 75 Ca -0.03 -1.43 -0.26 0.00 -0.26 0.00 0.00 60.65 58.67 1skw s ILE 75 Cb -0.00 -1.02 -0.09 0.00 1.25 0.00 0.00 42.46 42.60 1skw s ILE 75 CO -0.05 -0.67 1.08 -2.16 0.24 0.00 0.00 174.94 173.38 1skw s PRO 76 N -2.66 4.28 -0.13 0.37 0.04 -1.26 -4.69 135.00 130.95 1skw s PRO 76 Ca -0.02 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 1skw s PRO 76 Cb -0.02 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 1skw s PRO 76 CO -0.03 -0.07 -0.09 0.99 0.04 0.00 0.00 177.00 177.83 1skw s THR 77 N -1.48 3.42 -0.21 1.26 2.01 -0.92 -1.32 115.64 118.40 1skw s THR 77 Ca 0.54 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 1skw s THR 77 Cb -0.26 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 1skw s THR 77 CO 0.33 0.52 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.97 1skw s LEU 78 N 0.18 2.91 -0.16 4.42 1.43 0.17 -0.72 118.68 126.92 1skw s LEU 78 Ca -0.05 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1skw s LEU 78 Cb -0.15 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1skw s LEU 78 CO 0.04 0.01 -0.16 -0.76 0.23 0.00 0.00 176.35 175.71 1skw s LEU 79 N 1.29 2.40 -0.36 1.79 1.02 0.05 -2.07 118.68 122.80 1skw s LEU 79 Ca 0.04 -0.51 -0.14 0.00 0.02 0.00 0.00 54.13 53.54 1skw s LEU 79 Cb -0.14 -1.54 -0.01 0.00 0.02 0.00 0.00 46.19 44.52 1skw s LEU 79 CO -0.02 0.07 0.30 -0.22 0.02 0.00 0.00 176.35 176.50 1skw s LEU 80 N 0.88 4.65 -0.10 1.79 0.20 -0.66 0.19 118.68 125.63 1skw s LEU 80 Ca -0.04 -0.49 -0.06 0.00 0.69 0.00 0.00 54.13 54.23 1skw s LEU 80 Cb -0.15 -2.21 -0.04 0.00 -0.43 0.00 0.00 46.19 43.35 1skw s LEU 80 CO -0.02 -0.33 0.13 -0.36 -0.29 0.00 0.00 176.35 175.48 1skw s PHE 81 N 1.82 3.55 -0.06 5.38 0.40 0.12 -0.62 117.98 128.58 1skw s PHE 81 Ca 0.08 0.48 -0.02 0.00 -0.60 0.00 0.00 56.93 56.87 1skw s PHE 81 Cb -0.17 -1.91 0.03 0.00 0.51 0.00 0.00 43.02 41.47 1skw s PHE 81 CO 0.11 0.70 0.02 0.15 0.70 0.00 0.00 175.22 176.91 1skw s LYS 82 N -1.15 0.37 -1.35 0.44 1.02 -0.04 -1.48 119.74 117.56 1skw s LYS 82 Ca 0.17 0.19 -0.05 0.00 0.02 0.00 0.00 55.97 56.30 1skw s LYS 82 Cb -0.12 -0.84 -0.00 0.00 -0.52 0.00 0.00 37.83 36.35 1skw s LYS 82 CO 0.06 -0.32 0.50 0.09 -0.92 0.00 0.00 175.35 174.76 1skw n ASN 83 N 5.20 -1.28 -0.16 2.83 4.13 -1.26 -2.21 115.26 122.50 1skw n ASN 83 Ca -0.06 -1.01 -0.02 0.00 1.68 0.00 0.00 54.58 55.17 1skw n ASN 83 Cb 0.50 -3.11 -0.01 0.00 -1.54 0.00 0.00 39.78 35.62 1skw n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1skw n GLY 84 N -1.92 0.52 3.00 7.41 0.00 -1.09 -5.02 105.19 108.09 1skw n GLY 84 Ca -0.27 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 1skw n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1skw s GLU 85 N -1.25 0.37 -0.28 1.61 2.02 -0.94 -4.90 118.70 115.33 1skw s GLU 85 Ca 0.00 -0.72 -0.29 0.00 0.02 0.00 0.00 54.97 53.98 1skw s GLU 85 Cb 0.00 0.10 -0.00 0.00 0.10 0.00 0.00 34.13 34.32 1skw s GLU 85 CO 0.00 -0.05 1.35 0.08 0.02 0.00 0.00 175.26 176.65 1skw s VAL 86 N -1.86 4.08 -0.14 2.63 1.01 -1.26 -0.86 120.40 124.01 1skw s VAL 86 Ca -0.12 1.23 -0.22 0.00 0.00 0.00 0.00 61.98 62.87 1skw s VAL 86 Cb -0.07 -4.07 -0.25 0.00 0.00 0.00 0.00 36.38 31.98 1skw s VAL 86 CO -0.02 -0.42 0.56 0.00 0.00 0.00 0.00 175.10 175.22 1skw h ALA 87 N 9.42 0.12 -2.41 5.51 0.00 -1.19 -3.48 119.26 127.23 1skw h ALA 87 Ca -0.27 -0.92 -0.10 0.00 0.00 0.00 0.00 54.91 53.62 1skw h ALA 87 Cb 1.11 0.37 -0.15 0.00 0.00 0.00 0.00 17.79 19.12 1skw h ALA 87 CO 1.02 0.52 -0.52 0.00 0.00 0.00 0.00 179.25 180.27 1skw s ALA 88 N -2.37 0.10 -0.15 0.00 0.00 -1.18 -5.03 121.76 113.13 1skw s ALA 88 Ca -0.21 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 1skw s ALA 88 Cb 0.02 0.37 0.06 0.00 0.00 0.00 0.00 23.12 23.57 1skw s ALA 88 CO 0.71 -0.43 0.36 -0.08 0.00 0.00 0.00 175.76 176.31 1skw s THR 89 N -3.72 -0.04 0.03 0.00 -1.32 -1.26 -1.65 115.64 107.67 1skw s THR 89 Ca 0.04 0.11 0.03 0.00 -1.21 0.00 0.00 61.69 60.67 1skw s THR 89 Cb 0.05 -0.53 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 1skw s THR 89 CO -0.10 0.05 -0.10 -0.54 -2.21 0.00 0.00 174.62 171.72 1skw s LYS 90 N 1.38 0.71 0.01 7.08 -0.14 -0.88 -5.02 119.74 122.88 1skw s LYS 90 Ca -0.09 -0.61 0.08 0.00 -1.36 0.00 0.00 55.97 53.99 1skw s LYS 90 Cb -0.09 -0.64 -0.02 0.00 -1.68 0.00 0.00 37.83 35.39 1skw s LYS 90 CO -0.11 0.16 -0.25 0.08 -0.76 0.00 0.00 175.35 174.46 1skw s VAL 91 N -0.80 1.99 0.00 3.17 1.01 -1.26 -0.65 120.40 123.86 1skw s VAL 91 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1skw s VAL 91 Cb -0.07 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1skw s VAL 91 CO 0.01 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1skw n GLY 92 N 2.21 2.89 3.45 4.51 0.00 -0.44 -4.87 105.19 112.94 1skw n GLY 92 Ca -0.16 -1.90 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 1skw n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1skw n ALA 93 N 0.13 3.27 -1.51 4.61 0.00 -1.26 -4.77 120.51 120.98 1skw n ALA 93 Ca 0.00 -3.58 -0.36 0.00 0.00 0.00 0.00 53.44 49.50 1skw n ALA 93 Cb 0.00 -3.57 0.08 0.00 0.00 0.00 0.00 19.45 15.97 1skw n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1skw s LEU 94 N 5.72 3.43 0.72 0.00 1.43 -1.26 -4.90 118.68 123.82 1skw s LEU 94 Ca 0.57 2.50 -0.11 0.00 -1.03 0.00 0.00 54.13 56.07 1skw s LEU 94 Cb 0.05 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 41.69 1skw s LEU 94 CO 0.08 -2.19 1.09 -0.94 0.23 0.00 0.00 176.35 174.62 1skw s SER 95 N -1.70 5.17 0.20 2.29 1.04 -1.26 -4.83 113.70 114.61 1skw s SER 95 Ca 0.79 0.94 -0.11 0.00 0.48 0.00 0.00 55.95 58.05 1skw s SER 95 Cb -0.33 -1.67 0.21 0.00 0.10 0.00 0.00 66.02 64.32 1skw s SER 95 CO 0.43 -1.48 1.80 0.50 0.98 0.00 0.00 173.24 175.47 1skw h LYS 96 N -0.70 0.59 -0.56 4.02 3.64 -1.95 -1.09 116.57 120.51 1skw h LYS 96 Ca -0.45 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1skw h LYS 96 Cb 1.28 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1skw h LYS 96 CO 0.64 0.39 0.34 0.78 -2.27 0.00 0.00 179.45 179.33 1skw h GLY 97 N 0.60 0.79 2.00 5.01 0.00 -2.01 -2.20 103.07 107.27 1skw h GLY 97 Ca 0.27 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 1skw h GLY 97 CO -0.18 0.22 -0.34 1.46 0.00 0.00 0.00 176.54 177.70 1skw h GLN 98 N 0.68 0.00 -0.19 4.80 4.20 -1.76 -2.84 115.11 120.00 1skw h GLN 98 Ca 0.22 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.80 1skw h GLN 98 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1skw h GLN 98 CO -0.09 0.34 -0.40 -0.07 -0.67 0.00 0.00 178.83 177.95 1skw h LEU 99 N 0.00 0.68 -0.68 1.46 3.38 -0.72 -2.28 115.31 117.14 1skw h LEU 99 Ca -0.00 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.45 1skw h LEU 99 Cb 0.63 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1skw h LEU 99 CO 0.04 1.11 0.41 0.11 0.09 0.00 0.00 178.44 180.20 1skw h LYS 100 N 0.28 0.75 -0.45 1.13 1.57 -1.25 0.48 116.57 119.08 1skw h LYS 100 Ca 0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1skw h LYS 100 Cb 1.00 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1skw h LYS 100 CO 0.09 0.50 0.19 0.93 -0.57 0.00 0.00 179.45 180.59 1skw h GLU 101 N 0.77 0.66 -0.06 3.15 5.08 -1.50 0.61 114.58 123.28 1skw h GLU 101 Ca 0.29 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1skw h GLU 101 Cb 0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1skw h GLU 101 CO -0.14 0.59 0.02 0.35 -1.00 0.00 0.00 179.01 178.82 1skw h PHE 102 N 0.58 0.03 0.80 4.33 3.57 -0.71 0.43 116.94 125.97 1skw h PHE 102 Ca 0.15 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1skw h PHE 102 Cb 0.16 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.91 1skw h PHE 102 CO -0.00 0.02 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.64 1skw h LEU 103 N 0.05 -0.91 -0.91 0.59 3.38 0.24 -1.97 115.31 115.78 1skw h LEU 103 Ca 0.03 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.22 1skw h LEU 103 Cb 0.02 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 40.89 1skw h LEU 103 CO -0.03 -0.54 0.46 0.44 0.09 0.00 0.00 178.44 178.85 1skw h ASP 104 N -1.29 0.49 -0.04 -0.43 3.32 0.21 0.72 116.42 119.40 1skw h ASP 104 Ca -0.11 0.13 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 1skw h ASP 104 Cb 0.82 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1skw h ASP 104 CO 0.18 0.11 -0.42 0.00 -1.72 0.00 0.00 179.24 177.39 1skw h ALA 105 N 1.66 0.82 0.00 3.45 0.00 -0.89 -3.25 119.26 121.05 1skw h ALA 105 Ca 0.54 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1skw h ALA 105 Cb 0.93 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1skw h ALA 105 CO -0.45 0.65 -1.45 0.09 0.00 0.00 0.00 179.25 178.09 1skw n ASN 106 N -4.02 0.54 0.00 0.00 3.02 -0.60 -5.09 115.26 109.11 1skw n ASN 106 Ca -0.02 0.21 0.11 0.00 -0.03 0.00 0.00 54.58 54.85 1skw n ASN 106 Cb 0.53 0.93 0.62 0.00 -0.61 0.00 0.00 39.78 41.26 1skw n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82