#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 5.46 0.00 -0.08 0.00 -0.00 -1.26 -4.75 117.00 116.36 1x9f n LEU 3 Ca -0.12 -0.42 -0.14 0.00 -0.00 0.00 0.00 56.01 55.34 1x9f n LEU 3 Cb 0.41 -0.37 -0.05 0.00 -0.00 0.00 0.00 43.42 43.41 1x9f n LEU 3 CO 0.54 -1.48 0.53 0.58 -0.00 0.00 0.00 177.39 177.57 1x9f h VAL 4 N -2.01 1.31 -0.50 1.47 2.07 -1.98 -2.31 116.25 114.30 1x9f h VAL 4 Ca -0.15 -1.52 -0.06 0.00 0.82 0.00 0.00 66.70 65.80 1x9f h VAL 4 Cb 0.46 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1x9f h VAL 4 CO 0.10 0.48 0.09 0.71 0.02 0.00 0.00 177.57 178.97 1x9f h THR 5 N 0.41 1.25 -0.30 2.57 1.35 -1.99 -2.35 112.91 113.85 1x9f h THR 5 Ca 0.03 -0.90 -0.06 0.00 -0.55 0.00 0.00 66.41 64.93 1x9f h THR 5 Cb 0.91 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1x9f h THR 5 CO 0.08 0.32 -0.04 -0.33 -0.25 0.00 0.00 175.52 175.31 1x9f h GLU 6 N 0.70 0.55 -0.68 4.72 5.08 -1.91 0.07 114.58 123.11 1x9f h GLU 6 Ca 0.15 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1x9f h GLU 6 Cb 0.37 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1x9f h GLU 6 CO 0.01 0.72 0.40 0.66 -1.00 0.00 0.00 179.01 179.80 1x9f h SER 7 N 0.33 0.81 -0.27 1.42 4.64 -1.44 -0.06 113.55 118.98 1x9f h SER 7 Ca 0.08 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 1x9f h SER 7 Cb 0.50 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1x9f h SER 7 CO 0.02 0.63 -0.14 0.25 -0.87 0.00 0.00 176.83 176.72 1x9f h LEU 8 N 0.94 0.59 -0.51 5.97 7.12 -1.18 -0.26 115.31 127.98 1x9f h LEU 8 Ca 0.24 -0.41 0.05 0.00 0.13 0.00 0.00 57.88 57.89 1x9f h LEU 8 Cb -0.02 -0.16 -0.05 0.00 -0.53 0.00 0.00 40.66 39.90 1x9f h LEU 8 CO -0.04 0.88 0.25 0.50 -0.13 0.00 0.00 178.44 179.89 1x9f h LYS 9 N 0.31 0.47 -0.33 1.25 1.63 -0.59 -0.41 116.57 118.90 1x9f h LYS 9 Ca 0.06 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1x9f h LYS 9 Cb 0.66 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1x9f h LYS 9 CO 0.04 0.31 0.08 0.28 -3.45 0.00 0.00 179.45 176.71 1x9f h VAL 10 N 0.48 1.22 0.05 2.00 2.07 -0.84 0.12 116.25 121.36 1x9f h VAL 10 Ca 0.23 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1x9f h VAL 10 Cb 0.16 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1x9f h VAL 10 CO -0.17 0.25 -0.35 0.11 0.02 0.00 0.00 177.57 177.43 1x9f h LYS 11 N 0.37 -0.52 -0.55 1.57 1.57 -0.81 0.27 116.57 118.47 1x9f h LYS 11 Ca 0.10 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1x9f h LYS 11 Cb 0.30 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1x9f h LYS 11 CO 0.00 -0.35 0.31 -0.07 -0.57 0.00 0.00 179.45 178.77 1x9f h LEU 12 N -0.54 0.47 -0.66 2.94 4.07 -0.90 -1.85 115.31 118.84 1x9f h LEU 12 Ca 0.04 0.02 -0.14 0.00 0.08 0.00 0.00 57.88 57.88 1x9f h LEU 12 Cb 0.60 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1x9f h LEU 12 CO -0.25 0.32 -0.58 1.56 -1.08 0.00 0.00 178.44 178.41 1x9f h GLN 13 N 0.59 0.27 -0.54 1.13 4.20 -0.47 -2.94 115.11 117.36 1x9f h GLN 13 Ca 0.24 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1x9f h GLN 13 Cb 0.10 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1x9f h GLN 13 CO -0.14 0.78 0.26 2.35 -0.67 0.00 0.00 178.83 181.41 1x9f h TRP 14 N 0.21 0.78 -0.64 2.96 -0.00 -0.17 -1.68 115.95 117.41 1x9f h TRP 14 Ca -0.00 -0.04 0.11 0.00 -0.00 0.00 0.00 58.89 58.96 1x9f h TRP 14 Cb 1.08 -0.24 -0.08 0.00 -0.00 0.00 0.00 29.16 29.92 1x9f h TRP 14 CO 0.02 0.60 0.22 0.00 -0.00 0.00 0.00 178.44 179.29 1x9f h ALA 15 N 1.10 0.82 0.40 2.65 0.00 -1.17 0.99 119.26 124.05 1x9f h ALA 15 Ca 0.19 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1x9f h ALA 15 Cb 0.12 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x9f h ALA 15 CO -0.02 -0.22 -0.19 0.77 0.00 0.00 0.00 179.25 179.58 1x9f h SER 16 N 0.38 -0.45 -0.52 0.00 0.02 -1.42 -3.26 113.55 108.30 1x9f h SER 16 Ca 0.33 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 1x9f h SER 16 Cb 0.45 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1x9f h SER 16 CO -0.35 -0.08 0.08 0.00 -1.14 0.00 0.00 176.83 175.34 1x9f h ALA 17 N -0.47 1.07 0.19 3.77 0.00 -1.05 -3.12 119.26 119.64 1x9f h ALA 17 Ca -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1x9f h ALA 17 Cb 0.55 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1x9f h ALA 17 CO 0.09 0.60 -0.11 0.35 0.00 0.00 0.00 179.25 180.18 1x9f h PHE 18 N 0.87 -0.29 -0.14 0.00 3.57 -0.94 -3.48 116.94 116.52 1x9f h PHE 18 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1x9f h PHE 18 Cb 0.40 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1x9f h PHE 18 CO 0.02 -0.18 0.00 0.41 -2.23 0.00 0.00 178.31 176.34 1x9f n GLY 19 N -1.23 -1.19 0.00 2.40 0.00 -1.18 -3.70 105.19 100.29 1x9f n GLY 19 Ca -0.09 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.01 0.00 0.00 1.61 -0.00 -1.26 -4.78 115.22 110.78 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 0.26 -1.41 0.00 -1.26 -3.29 120.51 111.81 1x9f n ALA 21 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1x9f n ALA 21 Cb 0.00 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.81 0.00 -0.00 -1.99 -2.99 115.15 109.35 1x9f h HIS 22 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1x9f h HIS 22 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.35 1x9f h HIS 22 CO 0.00 0.06 0.50 0.93 -0.00 0.00 0.00 177.93 179.42 1x9f h GLU 23 N 0.00 0.89 -0.30 5.26 5.08 -1.90 -2.26 114.58 121.34 1x9f h GLU 23 Ca -0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1x9f h GLU 23 Cb 0.62 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1x9f h GLU 23 CO 0.01 0.59 0.14 0.00 -1.00 0.00 0.00 179.01 178.75 1x9f h ARG 24 N 0.92 0.44 -0.53 2.33 3.08 -1.51 -1.90 114.38 117.20 1x9f h ARG 24 Ca 0.35 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.39 1x9f h ARG 24 Cb 0.16 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1x9f h ARG 24 CO -0.17 0.42 0.26 0.28 -1.07 0.00 0.00 179.97 179.68 1x9f h VAL 25 N 0.35 0.93 -0.63 2.04 2.07 -1.57 0.10 116.25 119.54 1x9f h VAL 25 Ca 0.10 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1x9f h VAL 25 Cb 0.12 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1x9f h VAL 25 CO -0.01 0.09 0.29 0.00 0.02 0.00 0.00 177.57 177.95 1x9f h ALA 26 N 1.30 0.82 0.12 1.67 0.00 -1.38 -1.99 119.26 119.78 1x9f h ALA 26 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1x9f h ALA 26 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1x9f h ALA 26 CO -0.18 0.40 -0.12 0.35 0.00 0.00 0.00 179.25 179.71 1x9f h PHE 27 N 0.88 -0.30 -0.95 0.00 3.04 -0.63 -1.31 116.94 117.66 1x9f h PHE 27 Ca 0.22 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.19 1x9f h PHE 27 Cb 0.15 0.12 -0.05 0.00 2.56 0.00 0.00 35.95 38.72 1x9f h PHE 27 CO 0.01 -0.18 0.63 0.78 -2.02 0.00 0.00 178.31 177.52 1x9f h GLY 28 N -0.26 1.37 0.70 2.40 0.00 -0.93 -0.65 103.07 105.70 1x9f h GLY 28 Ca 0.01 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1x9f h GLY 28 CO -0.03 0.44 -0.03 -2.00 0.00 0.00 0.00 176.54 174.91 1x9f h LEU 29 N 1.24 0.20 -0.67 3.11 5.85 -1.22 -1.65 115.31 122.16 1x9f h LEU 29 Ca 0.37 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1x9f h LEU 29 Cb -0.05 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1x9f h LEU 29 CO -0.10 0.55 0.36 -0.08 -0.34 0.00 0.00 178.44 178.83 1x9f h GLU 30 N -0.14 0.65 -0.02 1.25 4.81 -0.96 0.14 114.58 120.31 1x9f h GLU 30 Ca 0.02 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1x9f h GLU 30 Cb 0.46 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1x9f h GLU 30 CO 0.01 0.43 0.01 1.25 -0.73 0.00 0.00 179.01 179.98 1x9f h LEU 31 N 0.67 0.02 -0.66 1.64 5.85 -1.04 -2.05 115.31 119.74 1x9f h LEU 31 Ca 0.31 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 1x9f h LEU 31 Cb 0.22 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1x9f h LEU 31 CO -0.20 0.11 -0.51 -0.50 -0.34 0.00 0.00 178.44 177.00 1x9f h TRP 32 N -0.07 0.00 -0.41 1.25 4.06 -1.01 -2.15 115.95 117.62 1x9f h TRP 32 Ca 0.01 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 1x9f h TRP 32 Cb 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 1x9f h TRP 32 CO -0.05 0.51 0.06 -0.09 -3.56 0.00 0.00 178.44 175.32 1x9f h ARG 33 N 0.00 0.69 -0.09 0.49 2.43 -0.63 -1.52 114.38 115.76 1x9f h ARG 33 Ca -0.01 -0.19 0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1x9f h ARG 33 Cb 1.11 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1x9f h ARG 33 CO 0.07 0.74 0.01 -0.44 -1.51 0.00 0.00 179.97 178.83 1x9f h ASP 34 N 0.54 -0.01 0.51 -3.80 5.19 -1.14 -0.86 116.42 116.85 1x9f h ASP 34 Ca 0.12 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1x9f h ASP 34 Cb 0.39 0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1x9f h ASP 34 CO 0.01 0.01 -0.24 0.40 -3.12 0.00 0.00 179.24 176.29 1x9f h ILE 35 N 0.04 0.50 0.00 0.35 2.04 -1.38 -2.34 117.51 116.73 1x9f h ILE 35 Ca 0.04 -0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.81 1x9f h ILE 35 Cb 0.04 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1x9f h ILE 35 CO -0.06 0.00 -0.41 0.40 0.00 0.00 0.00 178.15 178.08 1x9f h ILE 36 N -0.68 1.17 0.17 -0.67 2.04 -1.26 0.31 117.51 118.58 1x9f h ILE 36 Ca -0.07 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 1x9f h ILE 36 Cb 0.52 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1x9f h ILE 36 CO 0.11 0.40 -0.08 -0.78 0.00 0.00 0.00 178.15 177.81 1x9f h ASP 37 N 0.00 -0.19 -0.57 1.72 1.82 -1.12 -1.98 116.42 116.10 1x9f h ASP 37 Ca -0.00 -0.09 -0.06 0.00 -0.39 0.00 0.00 57.03 56.49 1x9f h ASP 37 Cb 0.79 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.82 1x9f h ASP 37 CO 0.05 -0.03 0.13 -0.78 -1.61 0.00 0.00 179.24 177.00 1x9f h ASP 38 N -0.35 0.87 -2.59 2.28 -0.00 -0.91 -3.38 116.42 112.33 1x9f h ASP 38 Ca -0.02 -0.24 -0.60 0.00 -0.00 0.00 0.00 57.03 56.17 1x9f h ASP 38 Cb 0.27 -0.23 -0.39 0.00 -0.00 0.00 0.00 39.33 38.98 1x9f h ASP 38 CO 0.04 0.89 -0.84 1.41 -0.00 0.00 0.00 179.24 180.73 1x9f n HIS 39 N -4.37 0.50 0.11 0.28 8.25 0.11 -4.98 115.22 115.11 1x9f n HIS 39 Ca 0.03 -3.65 0.07 0.00 -0.26 0.00 0.00 57.72 53.91 1x9f n HIS 39 Cb 0.24 -0.04 0.40 0.00 1.12 0.00 0.00 29.99 31.71 1x9f n HIS 39 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1x9f n PRO 40 N 2.51 0.09 0.21 -0.41 -0.04 -0.75 -1.59 135.00 135.02 1x9f n PRO 40 Ca 0.27 0.59 0.04 0.00 -0.04 0.00 0.00 63.50 64.35 1x9f n PRO 40 Cb 0.44 -1.84 0.43 0.00 -0.04 0.00 0.00 33.50 32.49 1x9f n PRO 40 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1x9f h GLU 41 N 0.00 0.00 0.00 0.54 3.07 -1.94 -2.81 114.58 113.44 1x9f h GLU 41 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1x9f h GLU 41 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1x9f h GLU 41 CO 0.00 0.28 0.00 -0.89 -1.40 0.00 0.00 179.01 177.00 1x9f n ILE 42 N -4.21 1.33 0.09 3.13 5.41 -0.62 -1.58 119.36 122.92 1x9f n ILE 42 Ca -0.02 0.65 -0.03 0.00 1.00 0.00 0.00 62.75 64.35 1x9f n ILE 42 Cb 0.32 -1.65 0.18 0.00 -0.71 0.00 0.00 39.64 37.79 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 0.23 0.02 0.38 1.57 -1.72 -3.35 116.57 113.70 1x9f h LYS 43 Ca 0.00 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1x9f h LYS 43 Cb 0.01 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1x9f h LYS 43 CO 0.00 0.67 -0.43 0.00 -0.57 0.00 0.00 179.45 179.12 1x9f h ALA 44 N 1.31 -0.70 0.00 3.86 0.00 -1.51 0.15 119.26 122.36 1x9f h ALA 44 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1x9f h ALA 44 Cb 0.93 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1x9f h ALA 44 CO 0.07 -0.97 0.00 -0.35 0.00 0.00 0.00 179.25 178.00 1x9f n PRO 45 N -5.45 0.15 -0.68 0.00 -0.04 -1.26 -1.98 135.00 125.73 1x9f n PRO 45 Ca -0.06 0.55 -0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1x9f n PRO 45 Cb 0.37 -1.89 0.25 0.00 -0.04 0.00 0.00 33.50 32.19 1x9f n PRO 45 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x9f n PHE 46 N -2.19 1.62 -0.23 0.54 0.99 0.04 -4.45 117.46 113.78 1x9f n PHE 46 Ca -0.00 -0.73 0.06 0.00 -0.00 0.00 0.00 57.45 56.78 1x9f n PHE 46 Cb 0.10 -0.47 0.31 0.00 -1.00 0.00 0.00 39.48 38.42 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 2.28 0.75 1.20 4.37 0.87 -1.38 -1.03 113.55 120.62 1x9f h SER 47 Ca 0.11 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1x9f h SER 47 Cb 1.72 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1x9f h SER 47 CO 0.45 0.48 -0.23 -1.14 -0.53 0.00 0.00 176.83 175.86 1x9f n ARG 48 N -4.48 0.25 -0.41 2.24 0.00 -1.26 -3.77 116.66 109.22 1x9f n ARG 48 Ca 0.12 0.15 0.06 0.00 -0.00 0.00 0.00 57.85 58.18 1x9f n ARG 48 Cb 0.22 -1.74 0.20 0.00 0.00 0.00 0.00 32.46 31.14 1x9f n ARG 48 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1x9f n VAL 49 N -2.14 2.19 -3.56 5.15 0.24 -0.89 -4.99 118.33 114.33 1x9f n VAL 49 Ca 0.05 -2.44 -0.26 0.00 -2.04 0.00 0.00 64.34 59.65 1x9f n VAL 49 Cb 0.42 -0.26 0.05 0.00 -1.47 0.00 0.00 33.84 32.58 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 -1.08 -1.92 0.10 7.34 1.74 -1.10 -2.51 116.66 119.23 1x9f n ARG 50 Ca 0.21 0.60 0.11 0.00 -0.77 0.00 0.00 57.85 58.00 1x9f n ARG 50 Cb 0.80 -4.74 0.44 0.00 -1.02 0.00 0.00 32.46 27.94 1x9f n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x9f n GLY 51 N -1.54 -1.21 0.21 -0.13 0.00 -0.44 -1.95 105.19 100.13 1x9f n GLY 51 Ca -0.11 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1x9f n GLY 51 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1x9f h ASP 52 N 0.00 0.00 -3.19 1.61 2.03 -1.87 -3.39 116.42 111.61 1x9f h ASP 52 Ca 0.00 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 1x9f h ASP 52 Cb 0.33 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.44 1x9f h ASP 52 CO 0.00 0.15 -0.77 0.21 -1.03 0.00 0.00 179.24 177.80 1x9f s ASN 53 N -6.21 3.51 0.06 4.15 3.84 -0.82 -4.98 114.94 114.48 1x9f s ASN 53 Ca 0.05 -2.35 0.18 0.00 0.21 0.00 0.00 52.86 50.95 1x9f s ASN 53 Cb 0.07 -0.82 0.76 0.00 -0.55 0.00 0.00 41.25 40.70 1x9f s ASN 53 CO 0.67 -0.30 1.57 2.30 -2.79 0.00 0.00 177.10 178.54 1x9f n ILE 54 N 3.89 0.87 1.34 -5.21 -5.35 -1.26 -2.11 119.36 111.53 1x9f n ILE 54 Ca 0.08 0.21 0.13 0.00 -0.27 0.00 0.00 62.75 62.90 1x9f n ILE 54 Cb 0.36 -0.98 0.39 0.00 -1.74 0.00 0.00 39.64 37.67 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 -1.68 0.00 -2.15 4.28 4.02 -1.26 -4.41 117.16 115.96 1x9f n TYR 55 Ca 0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.60 1x9f n TYR 55 Cb 0.20 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.51 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 -2.07 6.10 0.37 7.72 1.04 -0.90 -4.93 113.70 121.04 1x9f s SER 56 Ca 0.34 1.70 0.09 0.00 0.48 0.00 0.00 55.95 58.56 1x9f s SER 56 Cb 0.20 -2.52 0.72 0.00 0.10 0.00 0.00 66.02 64.52 1x9f s SER 56 CO 0.35 -0.95 1.87 1.55 0.98 0.00 0.00 173.24 177.04 1x9f h PRO 57 N 0.55 0.21 -0.32 4.02 0.13 -1.91 -1.80 132.00 132.88 1x9f h PRO 57 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1x9f h PRO 57 Cb 1.21 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1x9f h PRO 57 CO 0.59 0.42 0.20 0.93 -0.23 0.00 0.00 178.00 179.91 1x9f h GLU 58 N 0.19 0.42 -0.11 0.86 3.07 -1.92 -0.41 114.58 116.68 1x9f h GLU 58 Ca 0.03 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 1x9f h GLU 58 Cb 0.49 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1x9f h GLU 58 CO 0.03 0.29 -0.55 0.35 -1.40 0.00 0.00 179.01 177.73 1x9f h PHE 59 N 0.42 0.41 -0.61 4.33 3.57 -1.34 -2.57 116.94 121.16 1x9f h PHE 59 Ca 0.11 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1x9f h PHE 59 Cb -0.03 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1x9f h PHE 59 CO -0.05 0.81 0.39 0.78 -2.23 0.00 0.00 178.31 178.01 1x9f h GLY 60 N 1.31 0.86 0.79 2.40 0.00 -1.04 0.39 103.07 107.78 1x9f h GLY 60 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.04 1x9f h GLY 60 CO 0.09 0.28 -0.16 0.00 0.00 0.00 0.00 176.54 176.76 1x9f h ALA 61 N 1.24 -0.30 -0.20 3.60 0.00 -0.99 0.52 119.26 123.13 1x9f h ALA 61 Ca 0.23 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1x9f h ALA 61 Cb -0.05 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1x9f h ALA 61 CO -0.07 -0.69 -0.10 1.25 0.00 0.00 0.00 179.25 179.64 1x9f h HIS 62 N -0.34 -0.23 -0.67 0.00 6.17 -1.03 -0.44 115.15 118.61 1x9f h HIS 62 Ca 0.01 0.02 0.09 0.00 0.71 0.00 0.00 60.37 61.20 1x9f h HIS 62 Cb 0.33 0.13 -0.07 0.00 2.52 0.00 0.00 27.41 30.32 1x9f h HIS 62 CO -0.14 -0.15 0.30 1.03 0.71 0.00 0.00 177.93 179.68 1x9f h SER 63 N -0.08 0.37 -0.73 3.26 0.87 -0.02 -1.20 113.55 116.03 1x9f h SER 63 Ca 0.11 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 1x9f h SER 63 Cb 0.24 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1x9f h SER 63 CO -0.25 0.21 0.20 1.56 -0.53 0.00 0.00 176.83 178.02 1x9f h GLN 64 N 0.52 1.15 -0.95 2.24 1.08 -0.39 -2.03 115.11 116.73 1x9f h GLN 64 Ca 0.33 -0.26 0.04 0.00 -1.45 0.00 0.00 58.65 57.31 1x9f h GLN 64 Cb 0.38 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.59 1x9f h GLN 64 CO -0.28 1.00 0.62 0.00 -0.95 0.00 0.00 178.83 179.21 1x9f h ARG 65 N 1.09 1.15 0.26 1.46 3.08 -0.16 -0.22 114.38 121.04 1x9f h ARG 65 Ca 0.23 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1x9f h ARG 65 Cb 0.35 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1x9f h ARG 65 CO -0.00 0.76 -0.13 0.28 -1.07 0.00 0.00 179.97 179.82 1x9f h VAL 66 N 1.19 0.79 -0.86 2.04 2.07 -0.93 -0.57 116.25 119.98 1x9f h VAL 66 Ca 0.38 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1x9f h VAL 66 Cb 0.02 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1x9f h VAL 66 CO -0.12 0.11 0.57 -0.07 0.02 0.00 0.00 177.57 178.07 1x9f h LEU 67 N -0.62 0.98 -1.09 2.57 -0.00 -1.19 0.16 115.31 116.11 1x9f h LEU 67 Ca -0.04 -0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.76 1x9f h LEU 67 Cb 0.44 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.84 1x9f h LEU 67 CO 0.06 0.70 -0.02 -1.28 -0.00 0.00 0.00 178.44 177.90 1x9f h SER 68 N 1.15 0.59 -0.29 -0.43 0.87 -0.93 0.34 113.55 114.85 1x9f h SER 68 Ca 0.32 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1x9f h SER 68 Cb -0.12 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 1x9f h SER 68 CO -0.07 0.67 0.02 1.23 -0.53 0.00 0.00 176.83 178.15 1x9f h GLY 69 N 0.91 0.54 0.83 5.77 0.00 0.44 -1.67 103.07 109.89 1x9f h GLY 69 Ca 0.12 -0.39 0.08 0.00 0.00 0.00 0.00 47.33 47.14 1x9f h GLY 69 CO 0.02 0.36 0.57 -2.00 0.00 0.00 0.00 176.54 175.49 1x9f h LEU 70 N 0.30 0.85 -0.51 3.11 6.46 -0.39 -2.25 115.31 122.88 1x9f h LEU 70 Ca 0.08 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 1x9f h LEU 70 Cb 0.40 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 1x9f h LEU 70 CO 0.01 0.53 0.12 -0.78 -0.62 0.00 0.00 178.44 177.70 1x9f h ASP 71 N 0.95 0.78 -0.20 1.25 1.82 -0.53 -0.85 116.42 119.64 1x9f h ASP 71 Ca 0.39 -0.24 0.03 0.00 -0.39 0.00 0.00 57.03 56.83 1x9f h ASP 71 Cb 0.28 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.05 1x9f h ASP 71 CO -0.15 0.82 -0.01 0.40 -1.61 0.00 0.00 179.24 178.68 1x9f h ILE 72 N 0.71 0.84 -0.52 2.25 2.04 -0.79 -1.24 117.51 120.82 1x9f h ILE 72 Ca 0.16 -0.02 -0.12 0.00 1.00 0.00 0.00 64.86 65.88 1x9f h ILE 72 Cb 0.34 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1x9f h ILE 72 CO 0.00 0.01 -0.15 0.71 0.00 0.00 0.00 178.15 178.72 1x9f h THR 73 N 0.05 1.27 -0.51 -0.27 1.35 -1.12 -2.38 112.91 111.29 1x9f h THR 73 Ca 0.10 -1.31 -0.01 0.00 -0.55 0.00 0.00 66.41 64.63 1x9f h THR 73 Cb 0.13 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.54 1x9f h THR 73 CO -0.17 0.46 0.27 0.40 -0.25 0.00 0.00 175.52 176.23 1x9f h ILE 74 N 0.89 1.18 0.00 6.82 2.04 -1.01 -1.58 117.51 125.85 1x9f h ILE 74 Ca 0.13 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1x9f h ILE 74 Cb 0.72 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1x9f h ILE 74 CO 0.06 0.20 0.00 -1.54 0.00 0.00 0.00 178.15 176.86 1x9f n SER 75 N -4.63 0.00 -0.74 1.72 3.41 -0.48 -2.35 113.62 110.55 1x9f n SER 75 Ca 0.02 0.40 0.09 0.00 -0.26 0.00 0.00 58.87 59.13 1x9f n SER 75 Cb 0.09 -0.45 0.09 0.00 -0.26 0.00 0.00 64.21 63.69 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 -1.45 1.60 0.23 4.33 2.81 -0.63 -4.62 117.12 119.40 1x9f n MET 76 Ca 0.04 -1.64 0.17 0.00 -1.81 0.00 0.00 57.70 54.46 1x9f n MET 76 Cb 0.13 -1.35 0.79 0.00 -0.71 0.00 0.00 33.22 32.08 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 3.49 0.00 -1.82 4.03 4.07 -1.11 -0.05 115.31 123.92 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 0.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1x9f h LEU 77 CO 0.00 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 176.46 1x9f n ASP 78 N -3.27 2.66 -3.88 -0.43 3.85 -1.26 -4.75 116.55 109.48 1x9f n ASP 78 Ca 0.02 -1.81 -0.30 0.00 -0.71 0.00 0.00 54.79 51.99 1x9f n ASP 78 Cb 0.47 -0.03 -0.14 0.00 -1.35 0.00 0.00 41.12 40.07 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 -1.53 2.22 0.24 2.12 -4.23 -0.03 -5.01 115.64 109.41 1x9f s THR 79 Ca 0.24 -3.08 -0.07 0.00 -1.18 0.00 0.00 61.69 57.60 1x9f s THR 79 Cb 0.16 -2.54 0.23 0.00 1.34 0.00 0.00 72.50 71.69 1x9f s THR 79 CO 0.24 -0.83 1.90 1.55 -0.54 0.00 0.00 174.62 176.94 1x9f h PRO 80 N 6.57 1.29 -0.37 3.99 0.13 -1.86 0.50 132.00 142.25 1x9f h PRO 80 Ca -0.06 -0.11 0.07 0.00 -0.87 0.00 0.00 66.00 65.03 1x9f h PRO 80 Cb 0.90 -0.28 -0.06 0.00 0.13 0.00 0.00 31.00 31.69 1x9f h PRO 80 CO 0.62 0.89 -0.04 0.38 -0.23 0.00 0.00 178.00 179.62 1x9f h ASP 81 N 1.31 -0.23 -0.28 1.44 2.03 -1.94 0.12 116.42 118.86 1x9f h ASP 81 Ca 0.34 0.10 -0.10 0.00 -0.73 0.00 0.00 57.03 56.64 1x9f h ASP 81 Cb -0.08 0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 1x9f h ASP 81 CO -0.07 -0.08 -0.23 0.24 -1.03 0.00 0.00 179.24 178.07 1x9f h MET 82 N 0.06 0.66 -0.27 4.15 2.86 -1.82 -2.76 114.93 117.80 1x9f h MET 82 Ca 0.18 -0.33 0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1x9f h MET 82 Cb 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1x9f h MET 82 CO -0.34 0.93 0.13 1.25 1.06 0.00 0.00 176.91 179.94 1x9f h LEU 83 N 0.39 0.19 -0.20 1.22 5.85 -0.53 0.40 115.31 122.63 1x9f h LEU 83 Ca 0.05 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1x9f h LEU 83 Cb 0.79 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 1x9f h LEU 83 CO 0.06 0.15 -0.11 0.00 -0.34 0.00 0.00 178.44 178.20 1x9f h ALA 84 N 1.14 0.06 -0.32 1.25 0.00 -0.80 0.98 119.26 121.57 1x9f h ALA 84 Ca 0.11 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1x9f h ALA 84 Cb 0.04 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1x9f h ALA 84 CO -0.08 -0.53 0.20 0.00 0.00 0.00 0.00 179.25 178.84 1x9f h ALA 85 N 1.08 0.41 -0.36 0.00 0.00 -1.17 -1.88 119.26 117.34 1x9f h ALA 85 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1x9f h ALA 85 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1x9f h ALA 85 CO -0.26 -0.10 0.20 0.37 0.00 0.00 0.00 179.25 179.46 1x9f h GLN 86 N 0.42 0.50 -0.46 0.00 5.75 -0.57 -0.80 115.11 119.95 1x9f h GLN 86 Ca 0.12 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1x9f h GLN 86 Cb -0.01 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1x9f h GLN 86 CO -0.02 0.42 0.13 -0.07 -2.65 0.00 0.00 178.83 176.63 1x9f h LEU 87 N 0.46 0.63 -0.14 -2.39 3.38 -0.71 0.49 115.31 117.03 1x9f h LEU 87 Ca 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1x9f h LEU 87 Cb 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1x9f h LEU 87 CO -0.02 0.62 0.05 0.00 0.09 0.00 0.00 178.44 179.17 1x9f h ALA 88 N 1.47 0.18 -0.61 1.53 0.00 -1.03 -0.55 119.26 120.26 1x9f h ALA 88 Ca 0.16 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1x9f h ALA 88 Cb 0.23 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1x9f h ALA 88 CO -0.01 -0.20 0.29 1.25 0.00 0.00 0.00 179.25 180.58 1x9f h HIS 89 N 0.05 0.52 -0.56 0.00 -0.00 -0.70 -1.21 115.15 113.25 1x9f h HIS 89 Ca 0.05 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.35 1x9f h HIS 89 Cb 0.22 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 1x9f h HIS 89 CO -0.00 0.21 0.00 -0.07 -0.00 0.00 0.00 177.93 178.07 1x9f h LEU 90 N 0.53 0.96 -0.31 0.26 3.38 -0.74 -2.85 115.31 116.53 1x9f h LEU 90 Ca 0.29 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1x9f h LEU 90 Cb 0.26 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1x9f h LEU 90 CO -0.23 1.03 0.08 0.50 0.09 0.00 0.00 178.44 179.92 1x9f h LYS 91 N 0.86 0.20 -0.83 1.13 3.64 -0.67 -1.53 116.57 119.38 1x9f h LYS 91 Ca 0.16 -0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.71 1x9f h LYS 91 Cb 0.54 -0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 32.20 1x9f h LYS 91 CO 0.03 0.13 0.33 0.28 -2.27 0.00 0.00 179.45 177.95 1x9f h VAL 92 N 0.21 0.53 0.00 2.00 2.07 -1.06 0.27 116.25 120.27 1x9f h VAL 92 Ca 0.14 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1x9f h VAL 92 Cb 0.13 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1x9f h VAL 92 CO -0.17 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.49 1x9f n GLN 93 N -5.05 0.10 -0.01 1.57 6.02 -0.60 -3.31 117.38 116.11 1x9f n GLN 93 Ca 0.18 0.35 0.02 0.00 -0.01 0.00 0.00 57.00 57.54 1x9f n GLN 93 Cb 0.55 -1.70 -0.04 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.89 0.00 -0.24 1.08 8.25 -0.08 -4.84 115.22 117.51 1x9f n HIS 94 Ca 0.03 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.60 1x9f n HIS 94 Cb 0.20 -0.13 0.39 0.00 1.12 0.00 0.00 29.99 31.57 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 0.86 -0.40 1.59 3.04 -0.55 -2.48 116.25 118.32 1x9f h VAL 95 Ca -0.02 -0.23 -0.03 0.00 -1.01 0.00 0.00 66.70 65.41 1x9f h VAL 95 Cb 0.37 0.14 -0.02 0.00 -2.01 0.00 0.00 31.29 29.77 1x9f h VAL 95 CO 0.00 0.12 0.04 -0.62 -1.01 0.00 0.00 177.57 176.10 1x9f n GLU 96 N -4.53 3.34 -4.90 4.17 -0.58 -1.26 -4.84 120.64 112.04 1x9f n GLU 96 Ca 0.16 -2.01 -0.29 0.00 -0.42 0.00 0.00 57.16 54.59 1x9f n GLU 96 Cb 0.43 -1.97 -0.15 0.00 -0.57 0.00 0.00 31.44 29.18 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 -2.13 1.74 -0.59 3.49 0.52 -0.93 -5.02 118.95 116.02 1x9f s ARG 97 Ca 0.35 -1.03 -0.08 0.00 -0.52 0.00 0.00 55.73 54.45 1x9f s ARG 97 Cb 0.27 -1.86 -0.07 0.00 0.52 0.00 0.00 34.95 33.81 1x9f s ARG 97 CO 0.10 0.49 1.75 0.09 0.02 0.00 0.00 175.30 177.74 1x9f n ASN 98 N 1.91 3.02 -4.50 0.23 3.02 -1.26 -4.83 115.26 112.85 1x9f n ASN 98 Ca -0.17 -2.30 -0.42 0.00 -0.03 0.00 0.00 54.58 51.67 1x9f n ASN 98 Cb 0.52 -0.90 -0.10 0.00 -0.61 0.00 0.00 39.78 38.69 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 0.22 4.80 0.29 3.41 1.43 -1.26 -4.99 118.68 122.58 1x9f s LEU 99 Ca 0.33 -0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 1x9f s LEU 99 Cb 0.08 -2.20 -0.11 0.00 0.03 0.00 0.00 46.19 44.00 1x9f s LEU 99 CO 0.02 -0.37 1.49 -0.54 0.23 0.00 0.00 176.35 177.18 1x9f s LYS 100 N 1.78 4.20 0.62 1.70 3.01 -1.26 -4.85 119.74 124.94 1x9f s LYS 100 Ca 0.07 2.43 0.29 0.00 -1.01 0.00 0.00 55.97 57.75 1x9f s LYS 100 Cb -0.18 -3.06 1.59 0.00 -1.01 0.00 0.00 37.83 35.17 1x9f s LYS 100 CO 0.11 -0.49 1.95 -1.00 0.51 0.00 0.00 175.35 176.43 1x9f h PRO 101 N 4.57 0.00 0.00 -1.68 0.13 -1.97 -0.47 132.00 132.58 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 0.76 0.00 -0.01 1.05 -0.23 0.00 0.00 178.00 179.57 1x9f h GLU 102 N 0.00 0.00 -0.83 0.86 9.09 -2.01 -2.87 114.58 118.83 1x9f h GLU 102 Ca 0.11 0.00 0.16 0.00 0.05 0.00 0.00 59.36 59.67 1x9f h GLU 102 Cb 0.83 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.84 1x9f h GLU 102 CO -0.00 0.01 0.39 0.74 0.05 0.00 0.00 179.01 180.20 1x9f h PHE 103 N 0.00 0.67 0.00 2.06 0.05 -1.44 0.08 116.94 118.36 1x9f h PHE 103 Ca -0.00 0.04 -0.10 0.00 3.82 0.00 0.00 57.97 61.72 1x9f h PHE 103 Cb 0.64 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 38.40 1x9f h PHE 103 CO 0.00 0.11 -0.49 0.74 -0.18 0.00 0.00 178.31 178.49 1x9f h PHE 104 N 0.53 0.00 -0.46 -0.55 -1.00 -1.68 0.03 116.94 113.81 1x9f h PHE 104 Ca 0.46 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 61.10 1x9f h PHE 104 Cb 0.71 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 1x9f h PHE 104 CO -0.12 0.49 -0.26 -0.44 -1.61 0.00 0.00 178.31 176.37 1x9f h ASP 105 N 0.00 1.02 -0.42 2.17 3.45 -1.13 -1.00 116.42 120.51 1x9f h ASP 105 Ca -0.00 -0.41 -0.04 0.00 0.43 0.00 0.00 57.03 57.00 1x9f h ASP 105 Cb 0.91 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.38 1x9f h ASP 105 CO 0.06 1.21 0.12 0.40 -1.57 0.00 0.00 179.24 179.46 1x9f h ILE 106 N 0.83 1.23 -0.24 0.35 2.04 -0.78 -0.34 117.51 120.60 1x9f h ILE 106 Ca 0.10 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.25 1x9f h ILE 106 Cb 0.84 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 1x9f h ILE 106 CO 0.07 0.27 -0.11 0.15 0.00 0.00 0.00 178.15 178.53 1x9f h PHE 107 N 0.55 -0.26 -0.85 1.37 3.57 -0.87 -1.27 116.94 119.18 1x9f h PHE 107 Ca 0.14 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1x9f h PHE 107 Cb 0.29 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1x9f h PHE 107 CO 0.02 -0.17 0.56 1.25 -2.23 0.00 0.00 178.31 177.73 1x9f h LEU 108 N -0.08 0.94 -0.46 0.59 5.85 -0.92 0.15 115.31 121.39 1x9f h LEU 108 Ca 0.13 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1x9f h LEU 108 Cb 0.27 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1x9f h LEU 108 CO -0.29 0.67 0.30 0.50 -0.34 0.00 0.00 178.44 179.28 1x9f h LYS 109 N 1.11 0.61 -0.02 1.25 3.64 -0.20 -1.14 116.57 121.82 1x9f h LYS 109 Ca 0.33 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.48 1x9f h LYS 109 Cb -0.06 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1x9f h LYS 109 CO -0.09 0.41 -0.83 0.45 -2.27 0.00 0.00 179.45 177.12 1x9f h HIS 110 N 0.63 0.37 -0.30 1.91 3.86 -0.87 -2.59 115.15 118.16 1x9f h HIS 110 Ca 0.17 -0.19 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1x9f h HIS 110 Cb -0.06 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1x9f h HIS 110 CO -0.04 0.97 0.20 1.25 0.86 0.00 0.00 177.93 181.17 1x9f h LEU 111 N 0.16 0.33 -1.04 2.43 5.85 -0.26 -0.58 115.31 122.20 1x9f h LEU 111 Ca -0.04 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 1x9f h LEU 111 Cb 1.43 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1x9f h LEU 111 CO 0.13 0.24 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.09 1x9f h LEU 112 N 0.40 0.30 0.24 2.25 3.38 -1.22 -0.29 115.31 120.37 1x9f h LEU 112 Ca 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1x9f h LEU 112 Cb -0.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1x9f h LEU 112 CO -0.03 0.60 -0.12 -0.74 0.09 0.00 0.00 178.44 178.25 1x9f h HIS 113 N 0.26 -0.30 -0.43 1.13 2.76 -1.17 -0.73 115.15 116.67 1x9f h HIS 113 Ca 0.03 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 1x9f h HIS 113 Cb 0.69 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 1x9f h HIS 113 CO 0.01 -0.02 -0.01 -0.39 -1.30 0.00 0.00 177.93 176.22 1x9f h VAL 114 N -0.57 1.23 -0.66 5.26 -1.51 -1.01 -2.25 116.25 116.74 1x9f h VAL 114 Ca -0.03 -0.96 -0.04 0.00 -1.23 0.00 0.00 66.70 64.43 1x9f h VAL 114 Cb 0.42 0.92 -0.03 0.00 -2.13 0.00 0.00 31.29 30.47 1x9f h VAL 114 CO 0.05 0.33 0.23 -0.07 -1.23 0.00 0.00 177.57 176.89 1x9f h LEU 115 N 0.66 0.91 -1.07 4.19 3.38 -1.02 -2.10 115.31 120.26 1x9f h LEU 115 Ca 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1x9f h LEU 115 Cb 0.43 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1x9f h LEU 115 CO 0.02 0.83 0.42 1.23 0.09 0.00 0.00 178.44 181.03 1x9f h GLY 116 N 1.05 1.14 0.90 0.83 0.00 -0.56 -0.37 103.07 106.06 1x9f h GLY 116 Ca 0.22 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1x9f h GLY 116 CO -0.01 0.49 0.10 -0.55 0.00 0.00 0.00 176.54 176.57 1x9f h ASP 117 N 1.07 0.40 -0.45 0.19 3.32 -0.99 0.61 116.42 120.57 1x9f h ASP 117 Ca 0.27 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1x9f h ASP 117 Cb 0.03 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1x9f h ASP 117 CO -0.04 0.48 -0.20 0.03 -1.72 0.00 0.00 179.24 177.79 1x9f h ARG 118 N 0.30 0.93 0.00 3.56 2.47 -1.06 -3.34 114.38 117.25 1x9f h ARG 118 Ca 0.09 -0.40 -0.17 0.00 -1.26 0.00 0.00 59.98 58.24 1x9f h ARG 118 Cb 0.21 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 1x9f h ARG 118 CO -0.01 1.06 -1.96 1.28 0.56 0.00 0.00 179.97 180.90 1x9f n LEU 119 N -4.17 0.24 0.00 3.04 4.77 -0.18 -4.98 117.00 115.72 1x9f n LEU 119 Ca -0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1x9f n LEU 119 Cb 0.44 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1x9f n LEU 119 CO 0.46 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1x9f n GLY 120 N 1.47 -0.72 0.00 -0.72 0.00 0.20 -3.86 105.19 101.56 1x9f n GLY 120 Ca -0.16 -1.22 0.06 0.00 0.00 0.00 0.00 46.02 44.70 1x9f n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x9f n THR 121 N 0.00 0.83 0.40 2.61 -2.24 -1.26 -1.86 114.28 112.76 1x9f n THR 121 Ca 0.00 0.21 0.12 0.00 -2.27 0.00 0.00 64.05 62.11 1x9f n THR 121 Cb 0.00 -1.01 0.19 0.00 -2.10 0.00 0.00 70.33 67.42 1x9f n THR 121 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1x9f h HIS 122 N 0.00 0.00 -1.21 4.78 -0.00 -1.94 -3.47 115.15 113.31 1x9f h HIS 122 Ca 0.00 0.00 -0.71 0.00 -0.00 0.00 0.00 60.37 59.66 1x9f h HIS 122 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.55 1x9f h HIS 122 CO 0.00 0.00 1.17 0.34 -0.00 0.00 0.00 177.93 179.44 1x9f n PHE 123 N -2.50 1.79 -2.02 2.45 7.35 -0.78 -4.82 117.46 118.92 1x9f n PHE 123 Ca 0.03 0.43 -0.42 0.00 -0.76 0.00 0.00 57.45 56.73 1x9f n PHE 123 Cb 0.48 -2.48 0.00 0.00 0.35 0.00 0.00 39.48 37.83 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 7.47 4.28 -0.25 -2.13 4.64 -1.26 -4.77 116.55 124.52 1x9f n ASP 124 Ca 0.35 -2.89 0.04 0.00 -1.38 0.00 0.00 54.79 50.91 1x9f n ASP 124 Cb 0.16 -1.66 0.14 0.00 -1.04 0.00 0.00 41.12 38.72 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 6.36 -0.13 0.06 -0.67 3.04 -1.98 0.79 116.94 124.42 1x9f h PHE 125 Ca 0.52 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.52 1x9f h PHE 125 Cb 0.70 0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.38 1x9f h PHE 125 CO 1.42 -0.26 -0.05 0.78 -2.02 0.00 0.00 178.31 178.18 1x9f h GLY 126 N 0.08 -0.11 0.99 2.40 0.00 -1.99 0.47 103.07 104.90 1x9f h GLY 126 Ca 0.39 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1x9f h GLY 126 CO -0.68 -0.05 0.08 0.00 0.00 0.00 0.00 176.54 175.89 1x9f h ALA 127 N 0.82 0.16 -0.22 3.60 0.00 -1.71 -2.25 119.26 119.66 1x9f h ALA 127 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1x9f h ALA 127 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1x9f h ALA 127 CO -0.00 -0.35 0.08 -1.49 0.00 0.00 0.00 179.25 177.48 1x9f h TRP 128 N 0.17 0.15 -0.05 0.00 4.06 -0.73 -1.48 115.95 118.08 1x9f h TRP 128 Ca 0.05 0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.03 1x9f h TRP 128 Cb -0.02 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.08 1x9f h TRP 128 CO -0.07 0.08 -0.11 1.25 -3.56 0.00 0.00 178.44 176.02 1x9f h HIS 129 N 0.19 -0.28 0.19 0.49 2.76 -0.78 0.81 115.15 118.54 1x9f h HIS 129 Ca 0.09 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1x9f h HIS 129 Cb 0.06 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 1x9f h HIS 129 CO -0.12 -0.17 -0.35 -0.44 -1.30 0.00 0.00 177.93 175.55 1x9f h ASP 130 N -0.17 -1.03 -0.22 3.26 3.45 -1.34 -2.22 116.42 118.16 1x9f h ASP 130 Ca 0.06 0.10 0.02 0.00 0.43 0.00 0.00 57.03 57.64 1x9f h ASP 130 Cb 0.25 0.36 -0.02 0.00 -0.56 0.00 0.00 39.33 39.36 1x9f h ASP 130 CO -0.15 -0.41 0.08 0.00 -1.57 0.00 0.00 179.24 177.19 1x9f h VAL 132 N 0.19 0.66 -0.26 0.00 2.07 -0.95 -3.23 116.25 114.74 1x9f h VAL 132 Ca 0.10 -1.96 0.06 0.00 0.82 0.00 0.00 66.70 65.71 1x9f h VAL 132 Cb 0.06 2.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1x9f h VAL 132 CO -0.09 0.38 -0.10 -0.78 0.02 0.00 0.00 177.57 176.99 1x9f h ASP 133 N 0.00 -0.34 -0.63 0.57 -0.00 -1.07 0.16 116.42 115.10 1x9f h ASP 133 Ca -0.02 0.09 0.13 0.00 -0.00 0.00 0.00 57.03 57.24 1x9f h ASP 133 Cb 1.32 0.20 -0.10 0.00 -0.00 0.00 0.00 39.33 40.75 1x9f h ASP 133 CO 0.05 -0.13 0.05 -0.61 -0.00 0.00 0.00 179.24 178.60 1x9f h GLN 134 N -0.06 0.16 0.21 0.28 4.15 -1.55 0.47 115.11 118.78 1x9f h GLN 134 Ca 0.13 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1x9f h GLN 134 Cb 0.25 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1x9f h GLN 134 CO -0.29 0.11 -0.10 0.82 -1.93 0.00 0.00 178.83 177.43 1x9f h ILE 135 N 0.16 0.82 -0.66 2.39 2.04 -1.34 -2.12 117.51 118.80 1x9f h ILE 135 Ca 0.34 -0.11 0.13 0.00 1.00 0.00 0.00 64.86 66.21 1x9f h ILE 135 Cb 0.54 0.88 -0.09 0.00 -0.74 0.00 0.00 36.82 37.42 1x9f h ILE 135 CO -0.50 0.03 0.16 0.40 0.00 0.00 0.00 178.15 178.24 1x9f h ILE 136 N -0.34 0.61 -0.61 -0.67 5.03 -0.30 -2.23 117.51 119.01 1x9f h ILE 136 Ca -0.03 -0.10 -0.03 0.00 -0.12 0.00 0.00 64.86 64.58 1x9f h ILE 136 Cb 0.26 0.30 -0.03 0.00 -3.03 0.00 0.00 36.82 34.31 1x9f h ILE 136 CO 0.05 0.05 0.24 0.44 -0.68 0.00 0.00 178.15 178.25 1x9f h ASP 137 N 0.29 0.81 0.43 1.72 3.32 -0.64 0.44 116.42 122.78 1x9f h ASP 137 Ca 0.35 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 1x9f h ASP 137 Cb 0.55 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1x9f h ASP 137 CO -0.43 0.73 -0.14 1.23 -1.72 0.00 0.00 179.24 178.90 1x9f h GLY 138 N 0.98 0.00 0.08 2.75 0.00 -0.77 -3.23 103.07 102.89 1x9f h GLY 138 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.16 1x9f h GLY 138 CO -0.02 0.00 -2.39 1.39 0.00 0.00 0.00 176.54 175.52 1x9f n ILE 139 N -3.65 1.49 0.00 2.60 5.41 -0.82 -4.62 119.36 119.77 1x9f n ILE 139 Ca -0.02 -0.66 0.00 0.00 1.00 0.00 0.00 62.75 63.07 1x9f n ILE 139 Cb 0.27 -1.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.03 1x9f n ILE 139 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72