#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9f n LEU 3 N 4.84 0.00 -0.08 0.00 -0.00 -1.26 -4.77 117.00 115.73 1x9f n LEU 3 Ca -0.09 -0.61 -0.10 0.00 -0.00 0.00 0.00 56.01 55.21 1x9f n LEU 3 Cb 0.42 -0.41 -0.03 0.00 -0.00 0.00 0.00 43.42 43.41 1x9f n LEU 3 CO 0.38 -0.88 0.95 0.58 -0.00 0.00 0.00 177.39 178.42 1x9f h VAL 4 N -1.26 1.10 -0.42 1.47 2.07 -1.98 -2.11 116.25 115.12 1x9f h VAL 4 Ca -0.17 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 1x9f h VAL 4 Cb 0.49 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1x9f h VAL 4 CO 0.13 0.10 -0.19 0.71 0.02 0.00 0.00 177.57 178.34 1x9f h THR 5 N 0.33 1.27 -0.29 2.57 1.35 -1.99 -1.66 112.91 114.49 1x9f h THR 5 Ca 0.10 -1.31 -0.12 0.00 -0.55 0.00 0.00 66.41 64.53 1x9f h THR 5 Cb 0.03 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1x9f h THR 5 CO -0.02 0.44 -0.27 -0.33 -0.25 0.00 0.00 175.52 175.10 1x9f h GLU 6 N 0.72 0.70 -0.72 4.72 5.08 -1.90 0.13 114.58 123.29 1x9f h GLU 6 Ca 0.10 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1x9f h GLU 6 Cb 0.71 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1x9f h GLU 6 CO 0.05 0.97 0.36 0.66 -1.00 0.00 0.00 179.01 180.05 1x9f h SER 7 N 0.44 0.92 -0.34 1.42 4.64 -1.32 0.26 113.55 119.57 1x9f h SER 7 Ca 0.05 -0.10 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 1x9f h SER 7 Cb 0.83 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1x9f h SER 7 CO 0.07 0.78 -0.13 0.25 -0.87 0.00 0.00 176.83 176.92 1x9f h LEU 8 N 1.02 0.71 -0.48 5.97 7.12 -1.02 -1.36 115.31 127.28 1x9f h LEU 8 Ca 0.25 -0.39 0.04 0.00 0.13 0.00 0.00 57.88 57.91 1x9f h LEU 8 Cb 0.09 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 39.98 1x9f h LEU 8 CO -0.03 0.94 0.25 0.50 -0.13 0.00 0.00 178.44 179.97 1x9f h LYS 9 N 0.48 0.48 -0.53 1.25 1.63 -0.42 -1.45 116.57 118.02 1x9f h LYS 9 Ca 0.08 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.80 1x9f h LYS 9 Cb 0.66 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.16 1x9f h LYS 9 CO 0.04 0.32 0.14 0.28 -3.45 0.00 0.00 179.45 176.79 1x9f h VAL 10 N 0.50 1.24 0.02 2.00 2.07 -0.79 0.50 116.25 121.79 1x9f h VAL 10 Ca 0.20 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1x9f h VAL 10 Cb 0.09 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1x9f h VAL 10 CO -0.13 0.30 -0.07 0.11 0.02 0.00 0.00 177.57 177.80 1x9f h LYS 11 N 0.73 -0.12 -0.29 1.57 1.57 -1.05 0.25 116.57 119.23 1x9f h LYS 11 Ca 0.17 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1x9f h LYS 11 Cb 0.31 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1x9f h LYS 11 CO -0.00 -0.08 0.15 -0.07 -0.57 0.00 0.00 179.45 178.87 1x9f h LEU 12 N -0.13 0.37 -0.79 2.94 4.07 -1.04 -0.47 115.31 120.26 1x9f h LEU 12 Ca 0.02 -0.10 -0.11 0.00 0.08 0.00 0.00 57.88 57.77 1x9f h LEU 12 Cb 0.16 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1x9f h LEU 12 CO -0.06 0.37 -0.27 1.56 -1.08 0.00 0.00 178.44 178.96 1x9f h GLN 13 N 0.34 0.61 -0.42 1.13 4.20 -0.77 -2.79 115.11 117.41 1x9f h GLN 13 Ca 0.10 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1x9f h GLN 13 Cb 0.09 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1x9f h GLN 13 CO -0.01 0.82 0.20 2.35 -0.67 0.00 0.00 178.83 181.51 1x9f h TRP 14 N 0.53 0.61 -0.79 2.96 2.91 -0.23 -1.53 115.95 120.41 1x9f h TRP 14 Ca 0.07 -0.03 0.19 0.00 1.13 0.00 0.00 58.89 60.25 1x9f h TRP 14 Cb 0.74 -0.19 -0.12 0.00 -0.51 0.00 0.00 29.16 29.08 1x9f h TRP 14 CO 0.03 0.50 0.16 0.00 -1.03 0.00 0.00 178.44 178.11 1x9f h ALA 15 N 1.04 1.03 0.22 2.65 0.00 -0.81 0.38 119.26 123.76 1x9f h ALA 15 Ca 0.14 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1x9f h ALA 15 Cb 0.13 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1x9f h ALA 15 CO -0.02 -0.39 -0.11 0.77 0.00 0.00 0.00 179.25 179.50 1x9f h SER 16 N 0.22 -0.25 -0.51 0.00 0.02 -1.40 -3.27 113.55 108.37 1x9f h SER 16 Ca 0.46 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1x9f h SER 16 Cb 0.84 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1x9f h SER 16 CO -0.59 0.24 0.25 0.00 -1.14 0.00 0.00 176.83 175.59 1x9f h ALA 17 N -0.31 0.65 -0.04 3.77 0.00 -1.05 -3.04 119.26 119.24 1x9f h ALA 17 Ca -0.03 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1x9f h ALA 17 Cb 0.51 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1x9f h ALA 17 CO 0.05 0.20 -0.29 0.35 0.00 0.00 0.00 179.25 179.56 1x9f h PHE 18 N 0.67 -0.79 0.00 0.00 3.57 -1.08 -3.48 116.94 115.83 1x9f h PHE 18 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1x9f h PHE 18 Cb 0.10 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1x9f h PHE 18 CO -0.01 -0.38 0.00 0.41 -2.23 0.00 0.00 178.31 176.10 1x9f n GLY 19 N -1.39 -1.14 0.00 2.40 0.00 -1.15 -3.69 105.19 100.21 1x9f n GLY 19 Ca -0.04 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1x9f n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x9f n HIS 20 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -4.81 115.22 110.75 1x9f n HIS 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1x9f n HIS 20 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1x9f n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1x9f n ALA 21 N -3.00 0.00 0.28 -1.41 0.00 -1.26 -2.94 120.51 112.18 1x9f n ALA 21 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1x9f n ALA 21 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.88 1x9f n ALA 21 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1x9f h HIS 22 N 0.00 0.00 -0.08 0.00 -0.00 -1.99 -3.05 115.15 110.03 1x9f h HIS 22 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 1x9f h HIS 22 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1x9f h HIS 22 CO 0.00 0.00 -0.24 0.93 -0.00 0.00 0.00 177.93 178.62 1x9f h GLU 23 N 0.00 0.14 -0.02 5.26 5.08 -1.89 -1.85 114.58 121.30 1x9f h GLU 23 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1x9f h GLU 23 Cb 0.74 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1x9f h GLU 23 CO 0.00 0.38 -0.01 0.00 -1.00 0.00 0.00 179.01 178.38 1x9f h ARG 24 N 0.13 0.04 -0.52 2.33 3.08 -1.42 -2.77 114.38 115.25 1x9f h ARG 24 Ca 0.02 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.15 1x9f h ARG 24 Cb 0.51 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.48 1x9f h ARG 24 CO 0.04 0.46 0.10 0.28 -1.07 0.00 0.00 179.97 179.77 1x9f h VAL 25 N -0.38 0.70 -0.18 2.04 2.07 -1.50 0.10 116.25 119.09 1x9f h VAL 25 Ca 0.00 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 1x9f h VAL 25 Cb 0.45 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1x9f h VAL 25 CO 0.00 0.04 -0.36 0.00 0.02 0.00 0.00 177.57 177.28 1x9f h ALA 26 N 1.41 1.05 0.14 1.67 0.00 -1.40 -2.20 119.26 119.94 1x9f h ALA 26 Ca 0.26 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1x9f h ALA 26 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1x9f h ALA 26 CO -0.35 0.59 -0.07 0.35 0.00 0.00 0.00 179.25 179.77 1x9f h PHE 27 N 0.33 -0.17 -0.69 0.00 3.04 -1.00 -1.48 116.94 116.96 1x9f h PHE 27 Ca 0.04 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1x9f h PHE 27 Cb 0.79 0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.32 1x9f h PHE 27 CO 0.02 0.06 0.42 0.78 -2.02 0.00 0.00 178.31 177.57 1x9f h GLY 28 N -0.39 1.00 0.77 2.40 0.00 -0.88 -1.27 103.07 104.71 1x9f h GLY 28 Ca -0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1x9f h GLY 28 CO 0.03 0.40 -0.04 -2.00 0.00 0.00 0.00 176.54 174.93 1x9f h LEU 29 N 0.94 -0.11 -0.97 3.11 5.85 -1.40 -1.88 115.31 120.85 1x9f h LEU 29 Ca 0.25 -0.20 0.16 0.00 0.84 0.00 0.00 57.88 58.92 1x9f h LEU 29 Cb -0.04 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 40.92 1x9f h LEU 29 CO -0.05 0.15 0.58 -0.08 -0.34 0.00 0.00 178.44 178.69 1x9f h GLU 30 N -0.36 0.78 0.40 1.25 4.81 -1.02 0.13 114.58 120.58 1x9f h GLU 30 Ca -0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1x9f h GLU 30 Cb 0.30 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1x9f h GLU 30 CO 0.02 0.52 -0.19 1.25 -0.73 0.00 0.00 179.01 179.88 1x9f h LEU 31 N 0.81 -0.46 -1.32 1.64 5.85 -1.03 -2.31 115.31 118.49 1x9f h LEU 31 Ca 0.53 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 59.11 1x9f h LEU 31 Cb 0.71 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1x9f h LEU 31 CO -0.34 -0.18 -0.12 -0.50 -0.34 0.00 0.00 178.44 176.96 1x9f h TRP 32 N -0.74 0.33 -0.13 1.25 4.06 -1.07 -0.73 115.95 118.91 1x9f h TRP 32 Ca -0.06 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 1x9f h TRP 32 Cb 0.51 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.58 1x9f h TRP 32 CO -0.00 0.43 0.05 -0.09 -3.56 0.00 0.00 178.44 175.27 1x9f h ARG 33 N 0.29 0.20 -0.40 0.49 2.43 -0.98 -0.04 114.38 116.37 1x9f h ARG 33 Ca 0.06 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1x9f h ARG 33 Cb 0.40 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 1x9f h ARG 33 CO 0.02 0.31 0.06 -0.44 -1.51 0.00 0.00 179.97 178.41 1x9f h ASP 34 N 0.05 -0.04 0.21 -3.80 5.19 -1.03 -0.50 116.42 116.50 1x9f h ASP 34 Ca 0.04 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1x9f h ASP 34 Cb 0.19 0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1x9f h ASP 34 CO -0.00 0.01 -0.10 0.40 -3.12 0.00 0.00 179.24 176.43 1x9f h ILE 35 N 0.18 0.85 0.00 0.35 2.04 -0.96 -1.89 117.51 118.08 1x9f h ILE 35 Ca 0.19 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1x9f h ILE 35 Cb 0.25 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1x9f h ILE 35 CO -0.27 0.07 -0.35 0.40 0.00 0.00 0.00 178.15 178.00 1x9f h ILE 36 N -0.43 1.01 0.06 -0.67 2.04 -0.98 0.15 117.51 118.69 1x9f h ILE 36 Ca -0.03 -1.30 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 1x9f h ILE 36 Cb 0.33 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1x9f h ILE 36 CO 0.05 0.34 -0.03 -0.78 0.00 0.00 0.00 178.15 177.73 1x9f h ASP 37 N 0.00 -0.07 0.01 1.72 1.82 -1.00 -1.54 116.42 117.36 1x9f h ASP 37 Ca -0.00 -0.15 -0.08 0.00 -0.39 0.00 0.00 57.03 56.40 1x9f h ASP 37 Cb 0.73 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.74 1x9f h ASP 37 CO 0.05 0.10 -0.24 -0.78 -1.61 0.00 0.00 179.24 176.76 1x9f h ASP 38 N -0.25 0.37 -2.20 2.28 -0.00 -0.95 -3.39 116.42 112.28 1x9f h ASP 38 Ca -0.01 -0.12 -0.53 0.00 -0.00 0.00 0.00 57.03 56.37 1x9f h ASP 38 Cb 0.22 -0.10 -0.35 0.00 -0.00 0.00 0.00 39.33 39.09 1x9f h ASP 38 CO 0.01 0.62 -0.91 -1.00 -0.00 0.00 0.00 179.24 177.96 1x9f s HIS 39 N -4.51 0.73 0.65 0.28 3.76 0.48 -5.00 115.29 111.68 1x9f s HIS 39 Ca -0.06 -2.08 0.28 0.00 -0.15 0.00 0.00 55.06 53.05 1x9f s HIS 39 Cb 0.14 -0.76 1.53 0.00 1.11 0.00 0.00 32.58 34.61 1x9f s HIS 39 CO 0.77 -0.89 1.87 -1.00 -0.85 0.00 0.00 174.74 174.65 1x9f h PRO 40 N 5.61 0.00 0.00 8.40 0.13 -1.49 -1.97 132.00 142.69 1x9f h PRO 40 Ca 0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.36 1x9f h PRO 40 Cb 0.94 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1x9f h PRO 40 CO 0.32 0.00 -0.04 0.93 -0.23 0.00 0.00 178.00 178.98 1x9f h GLU 41 N 0.00 0.00 0.00 0.86 3.07 -1.95 -2.69 114.58 113.87 1x9f h GLU 41 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1x9f h GLU 41 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1x9f h GLU 41 CO -0.00 0.04 0.00 -0.89 -1.40 0.00 0.00 179.01 176.76 1x9f n ILE 42 N -3.96 0.92 -0.01 3.13 5.41 -0.74 -2.17 119.36 121.94 1x9f n ILE 42 Ca -0.03 0.33 -0.08 0.00 1.00 0.00 0.00 62.75 63.97 1x9f n ILE 42 Cb 0.13 -1.25 0.09 0.00 -0.71 0.00 0.00 39.64 37.89 1x9f n ILE 42 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1x9f h LYS 43 N 0.00 0.59 -0.43 0.38 1.57 -1.71 -3.32 116.57 113.65 1x9f h LYS 43 Ca 0.00 -0.31 0.05 0.00 -1.87 0.00 0.00 60.65 58.52 1x9f h LYS 43 Cb 0.28 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.52 1x9f h LYS 43 CO 0.00 0.90 -0.54 0.00 -0.57 0.00 0.00 179.45 179.24 1x9f h ALA 44 N 1.06 -0.73 0.00 3.86 0.00 -1.64 0.11 119.26 121.92 1x9f h ALA 44 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x9f h ALA 44 Cb 0.93 1.11 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1x9f h ALA 44 CO 0.08 -1.03 0.00 -1.00 0.00 0.00 0.00 179.25 177.31 1x9f h PRO 45 N -0.38 0.00 -0.65 0.00 0.13 -1.77 -2.48 132.00 126.85 1x9f h PRO 45 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1x9f h PRO 45 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1x9f h PRO 45 CO -0.61 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 178.35 1x9f n PHE 46 N -2.43 1.00 -0.34 1.56 0.99 0.38 -4.48 117.46 114.13 1x9f n PHE 46 Ca -0.00 -0.37 0.13 0.00 -0.00 0.00 0.00 57.45 57.20 1x9f n PHE 46 Cb 0.13 -0.23 0.31 0.00 -1.00 0.00 0.00 39.48 38.69 1x9f n PHE 46 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1x9f h SER 47 N 2.36 0.72 1.66 4.37 0.87 -1.31 -0.58 113.55 121.64 1x9f h SER 47 Ca 0.00 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1x9f h SER 47 Cb 1.10 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1x9f h SER 47 CO 0.19 0.24 0.00 -0.09 -0.53 0.00 0.00 176.83 176.64 1x9f h ARG 48 N 0.71 0.00 -0.21 2.24 1.12 -1.87 -3.26 114.38 113.10 1x9f h ARG 48 Ca 0.57 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 59.41 1x9f h ARG 48 Cb 0.90 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.84 1x9f h ARG 48 CO -0.40 0.00 -0.02 1.33 -3.11 0.00 0.00 179.97 177.78 1x9f n VAL 49 N -2.78 2.24 -3.61 0.20 0.24 -0.54 -4.98 118.33 109.11 1x9f n VAL 49 Ca 0.04 -2.11 -0.22 0.00 -2.04 0.00 0.00 64.34 60.01 1x9f n VAL 49 Cb 0.46 -0.26 0.04 0.00 -1.47 0.00 0.00 33.84 32.61 1x9f n VAL 49 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1x9f n ARG 50 N -0.81 -3.96 0.20 7.34 1.74 -1.04 -2.31 116.66 117.82 1x9f n ARG 50 Ca 0.22 0.64 0.14 0.00 -0.77 0.00 0.00 57.85 58.08 1x9f n ARG 50 Cb 0.86 -5.14 0.71 0.00 -1.02 0.00 0.00 32.46 27.87 1x9f n ARG 50 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1x9f h GLY 51 N -1.75 0.00 2.00 -0.13 0.00 -1.41 -1.62 103.07 100.16 1x9f h GLY 51 Ca -0.62 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1x9f h GLY 51 CO 0.53 0.00 0.00 1.29 0.00 0.00 0.00 176.54 178.36 1x9f h ASP 52 N 0.00 0.00 -2.95 0.19 2.03 -1.87 -3.39 116.42 110.44 1x9f h ASP 52 Ca 0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 1x9f h ASP 52 Cb 0.04 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.14 1x9f h ASP 52 CO 0.00 0.00 -0.80 0.21 -1.03 0.00 0.00 179.24 177.62 1x9f s ASN 53 N -5.83 3.36 0.00 4.15 2.47 -0.61 -4.99 114.94 113.49 1x9f s ASN 53 Ca 0.06 -2.14 0.18 0.00 0.42 0.00 0.00 52.86 51.37 1x9f s ASN 53 Cb 0.07 -0.63 0.81 0.00 -1.45 0.00 0.00 41.25 40.05 1x9f s ASN 53 CO 0.62 -0.32 1.57 2.30 -3.72 0.00 0.00 177.10 177.54 1x9f n ILE 54 N 4.13 0.67 0.94 -5.21 -5.35 -1.26 -1.94 119.36 111.35 1x9f n ILE 54 Ca 0.07 0.17 0.12 0.00 -0.27 0.00 0.00 62.75 62.84 1x9f n ILE 54 Cb 0.37 -0.86 0.23 0.00 -1.74 0.00 0.00 39.64 37.64 1x9f n ILE 54 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1x9f n TYR 55 N -1.43 0.14 -1.97 4.28 4.02 -1.26 -4.35 117.16 116.59 1x9f n TYR 55 Ca 0.06 -0.07 -0.32 0.00 -0.01 0.00 0.00 57.90 57.56 1x9f n TYR 55 Cb 0.19 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.52 1x9f n TYR 55 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1x9f s SER 56 N -1.83 6.07 0.43 7.72 1.04 -0.82 -4.92 113.70 121.39 1x9f s SER 56 Ca 0.33 1.57 0.19 0.00 0.48 0.00 0.00 55.95 58.52 1x9f s SER 56 Cb 0.21 -2.50 0.99 0.00 0.10 0.00 0.00 66.02 64.82 1x9f s SER 56 CO 0.31 -0.97 1.91 1.55 0.98 0.00 0.00 173.24 177.01 1x9f h PRO 57 N 0.05 0.00 -0.38 4.02 0.13 -1.92 -1.27 132.00 132.63 1x9f h PRO 57 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 1x9f h PRO 57 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1x9f h PRO 57 CO 0.60 0.26 -0.00 0.93 -0.23 0.00 0.00 178.00 179.56 1x9f h GLU 58 N 0.00 0.68 -0.02 0.86 3.07 -1.92 -1.47 114.58 115.78 1x9f h GLU 58 Ca -0.00 -0.22 -0.20 0.00 -0.50 0.00 0.00 59.36 58.44 1x9f h GLU 58 Cb 0.55 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 1x9f h GLU 58 CO 0.03 0.78 -0.85 0.35 -1.40 0.00 0.00 179.01 177.92 1x9f h PHE 59 N 0.50 0.44 -1.00 4.33 3.57 -1.32 -2.56 116.94 120.91 1x9f h PHE 59 Ca 0.11 -0.23 0.11 0.00 3.53 0.00 0.00 57.97 61.49 1x9f h PHE 59 Cb 0.47 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.08 1x9f h PHE 59 CO 0.04 1.02 0.63 0.78 -2.23 0.00 0.00 178.31 178.55 1x9f h GLY 60 N 1.52 1.59 0.92 2.40 0.00 -1.09 0.25 103.07 108.66 1x9f h GLY 60 Ca -0.05 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 1x9f h GLY 60 CO 0.14 0.21 -0.31 0.00 0.00 0.00 0.00 176.54 176.58 1x9f h ALA 61 N 1.52 0.35 -0.35 3.60 0.00 -1.16 -1.27 119.26 121.96 1x9f h ALA 61 Ca 0.48 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1x9f h ALA 61 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1x9f h ALA 61 CO -0.24 0.38 0.21 1.25 0.00 0.00 0.00 179.25 180.86 1x9f h HIS 62 N 0.33 0.45 -0.57 0.00 6.17 -0.97 0.47 115.15 121.03 1x9f h HIS 62 Ca 0.03 0.00 0.08 0.00 0.71 0.00 0.00 60.37 61.19 1x9f h HIS 62 Cb 0.88 -0.15 -0.06 0.00 2.52 0.00 0.00 27.41 30.60 1x9f h HIS 62 CO 0.08 0.32 0.23 1.03 0.71 0.00 0.00 177.93 180.30 1x9f h SER 63 N 0.46 0.26 -0.61 3.26 0.87 -0.47 -0.36 113.55 116.96 1x9f h SER 63 Ca 0.13 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1x9f h SER 63 Cb -0.01 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1x9f h SER 63 CO -0.02 0.17 0.15 1.56 -0.53 0.00 0.00 176.83 178.16 1x9f h GLN 64 N 0.43 0.98 -0.97 2.24 1.08 -0.87 -2.03 115.11 115.98 1x9f h GLN 64 Ca 0.27 -0.23 0.08 0.00 -1.45 0.00 0.00 58.65 57.32 1x9f h GLN 64 Cb 0.29 -0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 27.52 1x9f h GLN 64 CO -0.25 0.89 0.61 0.00 -0.95 0.00 0.00 178.83 179.13 1x9f h ARG 65 N 0.90 1.05 -0.03 1.46 3.08 -0.04 -0.97 114.38 119.81 1x9f h ARG 65 Ca 0.19 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1x9f h ARG 65 Cb 0.35 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1x9f h ARG 65 CO 0.00 0.69 0.01 0.28 -1.07 0.00 0.00 179.97 179.88 1x9f h VAL 66 N 1.08 1.20 -0.36 2.04 2.07 -0.70 -1.37 116.25 120.20 1x9f h VAL 66 Ca 0.43 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1x9f h VAL 66 Cb 0.25 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1x9f h VAL 66 CO -0.20 0.16 -0.02 -0.07 0.02 0.00 0.00 177.57 177.47 1x9f h LEU 67 N -0.18 0.55 -0.79 2.57 -0.00 -1.19 0.19 115.31 116.45 1x9f h LEU 67 Ca 0.01 -0.11 -0.09 0.00 -0.00 0.00 0.00 57.88 57.69 1x9f h LEU 67 Cb 0.26 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 1x9f h LEU 67 CO 0.00 0.63 -0.08 -1.28 -0.00 0.00 0.00 178.44 177.71 1x9f h SER 68 N 0.55 0.82 -0.27 -0.43 0.87 -1.12 0.04 113.55 114.00 1x9f h SER 68 Ca 0.11 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1x9f h SER 68 Cb 0.38 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1x9f h SER 68 CO 0.01 0.93 0.12 1.23 -0.53 0.00 0.00 176.83 178.59 1x9f h GLY 69 N 0.98 0.43 0.80 5.77 0.00 -0.16 -1.51 103.07 109.38 1x9f h GLY 69 Ca 0.13 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.29 1x9f h GLY 69 CO 0.03 0.21 0.63 -2.00 0.00 0.00 0.00 176.54 175.41 1x9f h LEU 70 N 0.30 1.02 -1.19 3.11 6.46 -0.47 -2.21 115.31 122.34 1x9f h LEU 70 Ca 0.09 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1x9f h LEU 70 Cb 0.15 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 1x9f h LEU 70 CO -0.01 0.67 0.29 -0.78 -0.62 0.00 0.00 178.44 177.99 1x9f h ASP 71 N 1.17 0.77 -0.07 1.25 1.82 -0.62 -1.21 116.42 119.53 1x9f h ASP 71 Ca 0.40 -0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.96 1x9f h ASP 71 Cb 0.09 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 39.90 1x9f h ASP 71 CO -0.15 0.66 0.01 0.40 -1.61 0.00 0.00 179.24 178.54 1x9f h ILE 72 N 0.85 1.23 -0.59 2.25 2.04 -0.68 -2.27 117.51 120.34 1x9f h ILE 72 Ca 0.21 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 1x9f h ILE 72 Cb 0.09 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1x9f h ILE 72 CO -0.03 0.19 0.16 0.71 0.00 0.00 0.00 178.15 179.19 1x9f h THR 73 N -0.14 1.23 -0.42 -0.27 1.35 -1.23 -1.87 112.91 111.56 1x9f h THR 73 Ca 0.02 -0.82 -0.15 0.00 -0.55 0.00 0.00 66.41 64.91 1x9f h THR 73 Cb 0.30 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 67.32 1x9f h THR 73 CO 0.00 0.31 -0.32 0.40 -0.25 0.00 0.00 175.52 175.66 1x9f h ILE 74 N 0.87 1.27 0.00 6.82 2.04 -1.23 -2.35 117.51 124.92 1x9f h ILE 74 Ca 0.19 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1x9f h ILE 74 Cb 0.28 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1x9f h ILE 74 CO -0.00 0.50 0.00 -1.54 0.00 0.00 0.00 178.15 177.11 1x9f n SER 75 N -4.08 0.00 -0.65 1.72 3.41 -0.86 -2.65 113.62 110.52 1x9f n SER 75 Ca -0.01 0.43 0.07 0.00 -0.26 0.00 0.00 58.87 59.10 1x9f n SER 75 Cb 0.51 -0.47 0.10 0.00 -0.26 0.00 0.00 64.21 64.09 1x9f n SER 75 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1x9f n MET 76 N -1.47 1.54 0.25 4.33 2.81 -0.74 -4.64 117.12 119.19 1x9f n MET 76 Ca 0.04 -1.61 0.18 0.00 -1.81 0.00 0.00 57.70 54.50 1x9f n MET 76 Cb 0.18 -1.30 0.88 0.00 -0.71 0.00 0.00 33.22 32.28 1x9f n MET 76 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1x9f h LEU 77 N 2.78 0.00 -1.62 4.03 4.07 -1.25 -0.87 115.31 122.45 1x9f h LEU 77 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1x9f h LEU 77 Cb 0.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.40 1x9f h LEU 77 CO 0.00 0.00 -0.13 -0.90 -1.08 0.00 0.00 178.44 176.33 1x9f n ASP 78 N -3.47 2.62 -3.90 -0.43 3.85 -1.26 -4.73 116.55 109.23 1x9f n ASP 78 Ca 0.01 -1.81 -0.29 0.00 -0.71 0.00 0.00 54.79 51.98 1x9f n ASP 78 Cb 0.33 0.13 -0.13 0.00 -1.35 0.00 0.00 41.12 40.10 1x9f n ASP 78 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1x9f s THR 79 N -2.01 2.49 0.33 2.12 -4.23 -0.33 -5.00 115.64 109.02 1x9f s THR 79 Ca 0.24 -3.50 0.02 0.00 -1.18 0.00 0.00 61.69 57.27 1x9f s THR 79 Cb 0.18 -2.70 0.27 0.00 1.34 0.00 0.00 72.50 71.59 1x9f s THR 79 CO 0.35 -0.88 1.97 1.55 -0.54 0.00 0.00 174.62 177.08 1x9f h PRO 80 N 6.18 0.89 -0.23 3.99 0.13 -1.85 -0.62 132.00 140.50 1x9f h PRO 80 Ca 0.00 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.13 1x9f h PRO 80 Cb 0.86 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 31.73 1x9f h PRO 80 CO 0.67 0.59 -0.09 0.38 -0.23 0.00 0.00 178.00 179.32 1x9f h ASP 81 N 0.92 -0.30 -0.31 1.44 2.03 -1.94 -0.81 116.42 117.44 1x9f h ASP 81 Ca 0.29 0.08 -0.12 0.00 -0.73 0.00 0.00 57.03 56.55 1x9f h ASP 81 Cb 0.03 0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.70 1x9f h ASP 81 CO -0.08 -0.12 -0.28 0.24 -1.03 0.00 0.00 179.24 177.97 1x9f h MET 82 N -0.05 0.73 -0.26 4.15 2.86 -1.77 -2.78 114.93 117.82 1x9f h MET 82 Ca 0.12 -0.38 0.03 0.00 -2.06 0.00 0.00 59.70 57.41 1x9f h MET 82 Cb 0.23 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1x9f h MET 82 CO -0.26 1.00 0.07 1.25 1.06 0.00 0.00 176.91 180.03 1x9f h LEU 83 N 0.49 0.06 -0.19 1.22 5.85 -0.96 0.28 115.31 122.08 1x9f h LEU 83 Ca 0.05 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1x9f h LEU 83 Cb 0.85 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1x9f h LEU 83 CO 0.07 0.07 -0.06 0.00 -0.34 0.00 0.00 178.44 178.18 1x9f h ALA 84 N 1.17 0.11 -0.48 1.25 0.00 -1.16 0.17 119.26 120.33 1x9f h ALA 84 Ca 0.11 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1x9f h ALA 84 Cb 0.10 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1x9f h ALA 84 CO -0.13 -0.49 0.27 0.00 0.00 0.00 0.00 179.25 178.90 1x9f h ALA 85 N 1.16 0.61 -0.41 0.00 0.00 -1.23 -1.67 119.26 117.72 1x9f h ALA 85 Ca 0.09 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1x9f h ALA 85 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1x9f h ALA 85 CO -0.20 0.12 -0.01 0.37 0.00 0.00 0.00 179.25 179.52 1x9f h GLN 86 N 0.63 0.74 -0.71 0.00 5.75 -0.51 -1.01 115.11 120.00 1x9f h GLN 86 Ca 0.17 -0.24 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1x9f h GLN 86 Cb 0.03 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1x9f h GLN 86 CO -0.03 0.83 0.33 -0.07 -2.65 0.00 0.00 178.83 177.23 1x9f h LEU 87 N 0.57 0.95 -0.44 -2.39 3.38 -0.61 -0.62 115.31 116.15 1x9f h LEU 87 Ca 0.12 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1x9f h LEU 87 Cb 0.50 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1x9f h LEU 87 CO 0.02 0.83 0.10 0.00 0.09 0.00 0.00 178.44 179.48 1x9f h ALA 88 N 1.16 0.49 -0.60 1.53 0.00 -1.09 0.24 119.26 120.99 1x9f h ALA 88 Ca 0.24 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.26 1x9f h ALA 88 Cb 0.15 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1x9f h ALA 88 CO -0.03 -0.30 0.37 1.25 0.00 0.00 0.00 179.25 180.54 1x9f h HIS 89 N 0.24 0.70 -0.60 0.00 -0.00 -0.68 -1.80 115.15 113.01 1x9f h HIS 89 Ca 0.21 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.51 1x9f h HIS 89 Cb 0.26 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.41 1x9f h HIS 89 CO -0.20 0.41 0.00 -0.07 -0.00 0.00 0.00 177.93 178.07 1x9f h LEU 90 N 0.75 1.03 -0.23 0.26 3.38 -0.74 -2.86 115.31 116.89 1x9f h LEU 90 Ca 0.24 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1x9f h LEU 90 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1x9f h LEU 90 CO -0.09 1.08 0.10 0.50 0.09 0.00 0.00 178.44 180.12 1x9f h LYS 91 N 0.96 0.21 -0.86 1.13 3.64 -0.60 -2.09 116.57 118.97 1x9f h LYS 91 Ca 0.17 -0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.73 1x9f h LYS 91 Cb 0.55 -0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.21 1x9f h LYS 91 CO 0.03 0.14 0.36 0.28 -2.27 0.00 0.00 179.45 177.99 1x9f h VAL 92 N 0.21 0.53 0.00 2.00 2.07 -1.18 0.22 116.25 120.11 1x9f h VAL 92 Ca 0.10 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1x9f h VAL 92 Cb 0.05 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1x9f h VAL 92 CO -0.09 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.58 1x9f n GLN 93 N -5.03 0.08 -0.00 1.57 6.02 -0.81 -3.34 117.38 115.86 1x9f n GLN 93 Ca 0.19 0.27 0.03 0.00 -0.01 0.00 0.00 57.00 57.48 1x9f n GLN 93 Cb 0.57 -1.64 -0.04 0.00 1.02 0.00 0.00 30.24 30.15 1x9f n GLN 93 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1x9f n HIS 94 N -1.78 0.00 0.20 1.08 8.25 0.49 -4.82 115.22 118.64 1x9f n HIS 94 Ca 0.04 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.56 1x9f n HIS 94 Cb 0.23 -0.11 0.42 0.00 1.12 0.00 0.00 29.99 31.65 1x9f n HIS 94 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1x9f h VAL 95 N 0.00 0.93 -0.94 1.59 3.04 -0.74 -3.04 116.25 117.08 1x9f h VAL 95 Ca 0.00 -1.27 -0.55 0.00 -1.01 0.00 0.00 66.70 63.88 1x9f h VAL 95 Cb 0.25 1.75 -0.29 0.00 -2.01 0.00 0.00 31.29 30.99 1x9f h VAL 95 CO 0.00 0.32 0.63 -0.62 -1.01 0.00 0.00 177.57 176.90 1x9f n GLU 96 N -3.71 2.40 -4.49 4.17 -0.58 -1.26 -4.87 120.64 112.29 1x9f n GLU 96 Ca -0.01 -3.15 -0.21 0.00 -0.42 0.00 0.00 57.16 53.36 1x9f n GLU 96 Cb 0.43 -2.19 -0.15 0.00 -0.57 0.00 0.00 31.44 28.95 1x9f n GLU 96 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1x9f s ARG 97 N -3.48 1.11 -0.36 3.49 0.52 -1.15 -5.03 118.95 114.04 1x9f s ARG 97 Ca 0.59 -0.38 -0.27 0.00 -0.52 0.00 0.00 55.73 55.14 1x9f s ARG 97 Cb 0.48 -1.02 -0.29 0.00 0.52 0.00 0.00 34.95 34.64 1x9f s ARG 97 CO 0.06 0.16 1.74 0.09 0.02 0.00 0.00 175.30 177.37 1x9f n ASN 98 N 3.18 1.60 -4.36 0.23 3.02 -1.26 -4.82 115.26 112.85 1x9f n ASN 98 Ca -0.17 -2.57 -0.38 0.00 -0.03 0.00 0.00 54.58 51.43 1x9f n ASN 98 Cb 0.54 -0.82 -0.12 0.00 -0.61 0.00 0.00 39.78 38.78 1x9f n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x9f s LEU 99 N 1.74 4.14 0.28 3.41 1.43 -1.26 -4.94 118.68 123.47 1x9f s LEU 99 Ca 0.66 -0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 52.68 1x9f s LEU 99 Cb 0.13 -1.93 -0.10 0.00 0.03 0.00 0.00 46.19 44.32 1x9f s LEU 99 CO 0.26 -0.25 1.42 -0.54 0.23 0.00 0.00 176.35 177.46 1x9f s LYS 100 N 1.52 4.27 0.60 1.70 3.01 -1.26 -4.89 119.74 124.69 1x9f s LYS 100 Ca 0.02 2.31 0.32 0.00 -1.01 0.00 0.00 55.97 57.62 1x9f s LYS 100 Cb -0.18 -3.08 1.91 0.00 -1.01 0.00 0.00 37.83 35.47 1x9f s LYS 100 CO 0.04 -0.38 2.27 -1.00 0.51 0.00 0.00 175.35 176.79 1x9f h PRO 101 N 4.42 0.00 0.00 -1.68 0.13 -1.98 -1.35 132.00 131.54 1x9f h PRO 101 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1x9f h PRO 101 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1x9f h PRO 101 CO 0.73 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.55 1x9f h GLU 102 N 0.00 0.00 -0.79 0.86 9.09 -2.00 -2.78 114.58 118.96 1x9f h GLU 102 Ca 0.00 0.00 0.14 0.00 0.05 0.00 0.00 59.36 59.56 1x9f h GLU 102 Cb 0.02 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.03 1x9f h GLU 102 CO -0.00 0.00 0.36 0.74 0.05 0.00 0.00 179.01 180.16 1x9f h PHE 103 N 0.00 0.62 -0.40 2.06 0.05 -1.62 0.66 116.94 118.31 1x9f h PHE 103 Ca 0.00 0.04 -0.06 0.00 3.82 0.00 0.00 57.97 61.77 1x9f h PHE 103 Cb 0.62 -0.16 -0.02 0.00 2.00 0.00 0.00 35.95 38.39 1x9f h PHE 103 CO 0.00 0.11 0.01 0.74 -0.18 0.00 0.00 178.31 178.99 1x9f h PHE 104 N 0.52 0.67 -0.48 -0.55 -1.00 -1.66 0.29 116.94 114.73 1x9f h PHE 104 Ca 0.44 -0.08 -0.07 0.00 2.81 0.00 0.00 57.97 61.07 1x9f h PHE 104 Cb 0.64 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1x9f h PHE 104 CO -0.13 0.63 0.03 -0.44 -1.61 0.00 0.00 178.31 176.79 1x9f h ASP 105 N 0.61 0.80 -0.65 2.17 3.45 -1.10 -0.62 116.42 121.09 1x9f h ASP 105 Ca 0.13 -0.29 0.02 0.00 0.43 0.00 0.00 57.03 57.31 1x9f h ASP 105 Cb 0.37 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.89 1x9f h ASP 105 CO 0.01 0.90 0.42 0.40 -1.57 0.00 0.00 179.24 179.40 1x9f h ILE 106 N 0.69 1.13 -0.68 0.35 2.04 -0.70 -0.75 117.51 119.58 1x9f h ILE 106 Ca 0.14 -0.29 0.10 0.00 1.00 0.00 0.00 64.86 65.81 1x9f h ILE 106 Cb 0.47 0.22 -0.08 0.00 -0.74 0.00 0.00 36.82 36.69 1x9f h ILE 106 CO 0.02 0.15 0.29 0.15 0.00 0.00 0.00 178.15 178.77 1x9f h PHE 107 N 0.84 0.52 -0.41 1.37 3.57 -0.46 -1.89 116.94 120.47 1x9f h PHE 107 Ca 0.25 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1x9f h PHE 107 Cb -0.05 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1x9f h PHE 107 CO -0.04 0.15 -0.01 1.25 -2.23 0.00 0.00 178.31 177.43 1x9f h LEU 108 N 0.50 0.72 -0.79 0.59 5.85 -0.39 0.52 115.31 122.30 1x9f h LEU 108 Ca 0.35 -0.32 0.11 0.00 0.84 0.00 0.00 57.88 58.87 1x9f h LEU 108 Cb 0.42 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 1x9f h LEU 108 CO -0.31 0.86 0.41 0.50 -0.34 0.00 0.00 178.44 179.56 1x9f h LYS 109 N 0.56 0.64 0.12 1.25 3.64 -0.72 -1.09 116.57 120.98 1x9f h LYS 109 Ca 0.11 -0.04 -0.28 0.00 -1.27 0.00 0.00 60.65 59.18 1x9f h LYS 109 Cb 0.50 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1x9f h LYS 109 CO 0.02 0.42 -1.28 0.45 -2.27 0.00 0.00 179.45 176.79 1x9f h HIS 110 N 0.66 0.47 -0.17 1.91 3.86 -1.16 -2.04 115.15 118.69 1x9f h HIS 110 Ca 0.41 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1x9f h HIS 110 Cb 0.48 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1x9f h HIS 110 CO -0.09 1.29 0.10 1.25 0.86 0.00 0.00 177.93 181.34 1x9f h LEU 111 N 0.07 0.17 -0.93 2.43 5.85 -0.58 -0.11 115.31 122.20 1x9f h LEU 111 Ca -0.15 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1x9f h LEU 111 Cb 1.98 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.93 1x9f h LEU 111 CO 0.20 0.12 0.39 -0.07 -0.34 0.00 0.00 178.44 178.74 1x9f h LEU 112 N 0.21 1.05 0.10 2.25 3.38 -1.24 0.88 115.31 121.94 1x9f h LEU 112 Ca 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1x9f h LEU 112 Cb -0.01 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1x9f h LEU 112 CO -0.02 0.88 -0.05 -0.74 0.09 0.00 0.00 178.44 178.60 1x9f h HIS 113 N 1.15 -0.13 -0.46 1.13 2.76 -1.11 0.71 115.15 119.19 1x9f h HIS 113 Ca 0.28 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.35 1x9f h HIS 113 Cb 0.11 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 1x9f h HIS 113 CO 0.01 0.05 -0.11 -0.39 -1.30 0.00 0.00 177.93 176.19 1x9f h VAL 114 N -0.28 1.26 -0.70 5.26 -1.51 -0.85 -2.56 116.25 116.86 1x9f h VAL 114 Ca -0.01 -1.20 -0.05 0.00 -1.23 0.00 0.00 66.70 64.21 1x9f h VAL 114 Cb 0.23 1.02 -0.03 0.00 -2.13 0.00 0.00 31.29 30.38 1x9f h VAL 114 CO 0.02 0.41 0.24 -0.07 -1.23 0.00 0.00 177.57 176.95 1x9f h LEU 115 N 0.76 0.99 -0.55 4.19 3.38 -0.77 -2.36 115.31 120.95 1x9f h LEU 115 Ca 0.13 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.04 1x9f h LEU 115 Cb 0.61 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 1x9f h LEU 115 CO 0.04 0.90 0.02 1.23 0.09 0.00 0.00 178.44 180.73 1x9f h GLY 116 N 1.09 0.59 0.99 0.83 0.00 -0.52 0.33 103.07 106.39 1x9f h GLY 116 Ca 0.23 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1x9f h GLY 116 CO -0.01 -0.15 0.21 -0.55 0.00 0.00 0.00 176.54 176.04 1x9f h ASP 117 N 0.14 0.40 0.01 0.19 3.32 -1.11 0.16 116.42 119.53 1x9f h ASP 117 Ca 0.28 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 1x9f h ASP 117 Cb 0.44 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1x9f h ASP 117 CO -0.45 0.31 -0.00 0.03 -1.72 0.00 0.00 179.24 177.41 1x9f h ARG 118 N 0.45 -0.01 0.00 3.56 2.47 -0.90 -3.32 114.38 116.63 1x9f h ARG 118 Ca 0.12 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1x9f h ARG 118 Cb -0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 1x9f h ARG 118 CO -0.02 0.13 -1.21 1.28 0.56 0.00 0.00 179.97 180.70 1x9f n LEU 119 N -5.03 0.74 0.00 3.04 4.77 0.05 -5.02 117.00 115.55 1x9f n LEU 119 Ca -0.07 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1x9f n LEU 119 Cb 0.10 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1x9f n LEU 119 CO 0.33 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1x9f n GLY 120 N 1.23 -0.14 0.19 -0.72 0.00 0.04 -3.75 105.19 102.05 1x9f n GLY 120 Ca -0.03 -1.05 0.14 0.00 0.00 0.00 0.00 46.02 45.09 1x9f n GLY 120 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1x9f h THR 121 N 0.00 0.00 0.00 2.61 1.35 -1.95 -2.35 112.91 112.57 1x9f h THR 121 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1x9f h THR 121 Cb 0.00 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1x9f h THR 121 CO 0.00 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.68 1x9f n HIS 122 N -2.50 0.00 -1.64 4.73 -0.00 -1.25 -4.87 115.22 109.70 1x9f n HIS 122 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 1x9f n HIS 122 Cb 0.18 -0.46 -0.03 0.00 -0.00 0.00 0.00 29.99 29.67 1x9f n HIS 122 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1x9f n PHE 123 N -1.46 2.34 -2.32 4.41 7.35 -0.89 -4.88 117.46 122.01 1x9f n PHE 123 Ca 0.07 -0.28 -0.43 0.00 -0.76 0.00 0.00 57.45 56.06 1x9f n PHE 123 Cb 0.29 -2.77 0.00 0.00 0.35 0.00 0.00 39.48 37.35 1x9f n PHE 123 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1x9f n ASP 124 N 8.66 4.67 -0.21 -2.13 4.64 -1.26 -4.78 116.55 126.15 1x9f n ASP 124 Ca 0.23 -2.94 0.00 0.00 -1.38 0.00 0.00 54.79 50.70 1x9f n ASP 124 Cb 0.41 -1.63 0.08 0.00 -1.04 0.00 0.00 41.12 38.94 1x9f n ASP 124 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 1x9f h PHE 125 N 6.61 -0.20 -0.09 -0.67 3.04 -1.97 0.22 116.94 123.88 1x9f h PHE 125 Ca 0.45 0.05 0.04 0.00 3.98 0.00 0.00 57.97 62.50 1x9f h PHE 125 Cb 0.75 0.19 -0.05 0.00 2.56 0.00 0.00 35.95 39.39 1x9f h PHE 125 CO 1.34 -0.23 -0.22 0.78 -2.02 0.00 0.00 178.31 177.97 1x9f h GLY 126 N 0.05 -0.25 0.92 2.40 0.00 -2.00 0.35 103.07 104.55 1x9f h GLY 126 Ca 0.32 0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.90 1x9f h GLY 126 CO -0.60 -0.19 -0.13 0.00 0.00 0.00 0.00 176.54 175.62 1x9f h ALA 127 N 0.64 -0.35 -0.27 3.60 0.00 -1.76 -2.23 119.26 118.89 1x9f h ALA 127 Ca 0.09 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1x9f h ALA 127 Cb 0.43 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1x9f h ALA 127 CO -0.26 -0.66 -0.12 -1.49 0.00 0.00 0.00 179.25 176.72 1x9f h TRP 128 N -0.43 -0.28 0.04 0.00 4.06 -0.80 -0.61 115.95 117.92 1x9f h TRP 128 Ca -0.04 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.97 1x9f h TRP 128 Cb 0.33 0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.62 1x9f h TRP 128 CO -0.04 -0.18 -0.23 1.25 -3.56 0.00 0.00 178.44 175.68 1x9f h HIS 129 N -0.08 -0.60 0.38 0.49 2.76 -0.88 0.29 115.15 117.51 1x9f h HIS 129 Ca 0.14 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1x9f h HIS 129 Cb 0.29 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.49 1x9f h HIS 129 CO -0.31 -0.32 -0.45 -0.44 -1.30 0.00 0.00 177.93 175.11 1x9f h ASP 130 N -0.38 -1.27 -0.03 3.26 3.45 -1.13 -1.85 116.42 118.47 1x9f h ASP 130 Ca 0.05 0.11 0.03 0.00 0.43 0.00 0.00 57.03 57.65 1x9f h ASP 130 Cb 0.44 0.43 -0.06 0.00 -0.56 0.00 0.00 39.33 39.58 1x9f h ASP 130 CO -0.18 -0.58 -0.39 0.00 -1.57 0.00 0.00 179.24 176.53 1x9f h VAL 132 N -0.53 1.36 -0.79 0.00 2.07 -0.49 -2.99 116.25 114.88 1x9f h VAL 132 Ca 0.06 -1.79 0.14 0.00 0.82 0.00 0.00 66.70 65.92 1x9f h VAL 132 Cb 0.62 1.90 -0.09 0.00 -1.52 0.00 0.00 31.29 32.21 1x9f h VAL 132 CO -0.32 0.52 0.37 -0.78 0.02 0.00 0.00 177.57 177.38 1x9f h ASP 133 N 0.12 0.41 -0.55 0.57 -0.00 -1.16 0.14 116.42 115.96 1x9f h ASP 133 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.13 1x9f h ASP 133 Cb 0.96 0.04 -0.03 0.00 -0.00 0.00 0.00 39.33 40.30 1x9f h ASP 133 CO 0.08 0.18 0.35 -0.61 -0.00 0.00 0.00 179.24 179.24 1x9f h GLN 134 N 0.54 0.72 -0.15 0.28 4.15 -1.40 -0.38 115.11 118.88 1x9f h GLN 134 Ca 0.43 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.79 1x9f h GLN 134 Cb 0.61 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1x9f h GLN 134 CO -0.37 0.49 0.08 0.82 -1.93 0.00 0.00 178.83 177.92 1x9f h ILE 135 N 0.74 1.12 -0.61 2.39 2.04 -0.94 -2.56 117.51 119.69 1x9f h ILE 135 Ca 0.20 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.79 1x9f h ILE 135 Cb -0.07 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 1x9f h ILE 135 CO -0.04 0.11 0.29 0.40 0.00 0.00 0.00 178.15 178.91 1x9f h ILE 136 N 0.13 0.88 -0.40 -0.67 5.03 -0.60 -2.50 117.51 119.36 1x9f h ILE 136 Ca 0.05 -0.18 -0.03 0.00 -0.12 0.00 0.00 64.86 64.59 1x9f h ILE 136 Cb 0.11 0.30 -0.02 0.00 -3.03 0.00 0.00 36.82 34.18 1x9f h ILE 136 CO -0.01 0.10 0.14 0.44 -0.68 0.00 0.00 178.15 178.14 1x9f h ASP 137 N 0.53 0.52 0.99 1.72 3.32 -0.86 0.22 116.42 122.86 1x9f h ASP 137 Ca 0.29 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1x9f h ASP 137 Cb 0.27 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1x9f h ASP 137 CO -0.23 0.49 0.00 1.23 -1.72 0.00 0.00 179.24 179.01 1x9f h GLY 138 N 0.74 0.00 0.00 2.75 0.00 -1.04 -3.30 103.07 102.23 1x9f h GLY 138 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.12 1x9f h GLY 138 CO -0.01 0.00 -2.25 1.39 0.00 0.00 0.00 176.54 175.67 1x9f n ILE 139 N -2.88 1.24 0.00 2.60 5.41 -0.62 -4.46 119.36 120.66 1x9f n ILE 139 Ca 0.01 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.35 1x9f n ILE 139 Cb 0.30 -1.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 1x9f n ILE 139 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72