#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3a s LEU 2 N 0.00 4.38 0.74 6.55 1.02 -1.26 -5.10 118.68 125.01 3m3a s LEU 2 Ca 0.00 0.42 -0.11 0.00 0.02 0.00 0.00 54.13 54.46 3m3a s LEU 2 Cb 0.00 -2.27 0.04 0.00 0.02 0.00 0.00 46.19 43.98 3m3a s LEU 2 CO 0.00 0.36 1.09 -0.94 0.02 0.00 0.00 176.35 176.87 3m3a s SER 3 N -1.36 4.78 0.29 2.29 1.04 -1.26 -4.86 113.70 114.62 3m3a s SER 3 Ca 0.19 1.80 0.04 0.00 0.48 0.00 0.00 55.95 58.47 3m3a s SER 3 Cb -0.12 -2.52 0.67 0.00 0.10 0.00 0.00 66.02 64.15 3m3a s SER 3 CO 0.09 -1.85 1.78 -0.08 0.98 0.00 0.00 173.24 174.17 3m3a h GLU 4 N -0.87 0.76 -0.58 4.02 4.57 -1.99 -1.55 114.58 118.94 3m3a h GLU 4 Ca -0.44 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 57.62 3m3a h GLU 4 Cb 1.23 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 3m3a h GLU 4 CO 0.53 0.50 0.06 0.78 -1.18 0.00 0.00 179.01 179.70 3m3a h GLY 5 N 0.78 1.03 1.00 1.92 0.00 -1.99 -0.82 103.07 104.99 3m3a h GLY 5 Ca 0.55 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 3m3a h GLY 5 CO -0.36 0.63 0.43 0.83 0.00 0.00 0.00 176.54 178.07 3m3a h GLU 6 N 0.90 0.96 -0.58 4.80 5.08 -1.73 -1.34 114.58 122.66 3m3a h GLU 6 Ca 0.18 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3m3a h GLU 6 Cb 0.44 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3m3a h GLU 6 CO 0.01 0.67 0.36 -1.49 -1.00 0.00 0.00 179.01 177.57 3m3a h TRP 7 N 0.96 0.68 -0.75 4.33 -0.00 -0.82 -1.61 115.95 118.74 3m3a h TRP 7 Ca 0.25 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 59.13 3m3a h TRP 7 Cb -0.04 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 28.86 3m3a h TRP 7 CO -0.01 0.40 0.35 1.96 -0.00 0.00 0.00 178.44 181.14 3m3a h GLN 8 N 0.72 1.08 -0.84 0.49 4.20 -0.63 0.39 115.11 120.52 3m3a h GLN 8 Ca 0.23 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 3m3a h GLN 8 Cb -0.01 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 3m3a h GLN 8 CO -0.08 0.84 0.45 -0.07 -0.67 0.00 0.00 178.83 179.29 3m3a h LEU 9 N 1.07 1.06 -0.55 1.46 3.38 -0.79 -0.55 115.31 120.38 3m3a h LEU 9 Ca 0.26 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3m3a h LEU 9 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3m3a h LEU 9 CO -0.03 0.86 0.19 0.58 0.09 0.00 0.00 178.44 180.13 3m3a h VAL 10 N 1.17 1.23 0.00 1.22 2.07 -0.34 -2.86 116.25 118.74 3m3a h VAL 10 Ca 0.29 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.93 3m3a h VAL 10 Cb 0.05 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3m3a h VAL 10 CO -0.05 0.28 -0.59 -0.07 0.02 0.00 0.00 177.57 177.17 3m3a h LEU 11 N 0.76 0.00 -0.32 2.57 3.38 -0.57 -0.49 115.31 120.64 3m3a h LEU 11 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3m3a h LEU 11 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3m3a h LEU 11 CO -0.01 0.59 -0.07 -0.74 0.09 0.00 0.00 178.44 178.30 3m3a h HIS 12 N 0.00 0.69 -0.06 1.13 2.76 -1.09 0.12 115.15 118.71 3m3a h HIS 12 Ca -0.01 -0.14 -0.17 0.00 -2.20 0.00 0.00 60.37 57.84 3m3a h HIS 12 Cb 1.39 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.18 3m3a h HIS 12 CO 0.00 0.78 -0.72 -0.39 -1.30 0.00 0.00 177.93 176.30 3m3a h VAL 13 N 0.40 1.41 -0.09 5.26 -1.51 -1.35 -2.83 116.25 117.54 3m3a h VAL 13 Ca 0.08 -2.19 -0.02 0.00 -1.23 0.00 0.00 66.70 63.35 3m3a h VAL 13 Cb 0.55 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.86 3m3a h VAL 13 CO 0.03 0.65 -0.03 -0.25 -1.23 0.00 0.00 177.57 176.74 3m3a h TRP 14 N 0.21 0.12 -0.40 5.19 2.91 -0.90 -1.18 115.95 121.90 3m3a h TRP 14 Ca -0.03 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.00 3m3a h TRP 14 Cb 1.28 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 29.88 3m3a h TRP 14 CO 0.03 0.16 0.26 0.00 -1.03 0.00 0.00 178.44 177.86 3m3a h ALA 15 N 1.86 1.74 -0.53 2.65 0.00 -0.71 -0.93 119.26 123.34 3m3a h ALA 15 Ca 0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3m3a h ALA 15 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3m3a h ALA 15 CO 0.00 0.23 -0.09 0.87 0.00 0.00 0.00 179.25 180.27 3m3a h LYS 16 N 0.51 0.98 -0.70 0.00 1.79 -1.24 -2.88 116.57 115.03 3m3a h LYS 16 Ca 0.15 -0.34 -0.02 0.00 -2.18 0.00 0.00 60.65 58.26 3m3a h LYS 16 Cb -0.02 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 3m3a h LYS 16 CO -0.03 1.01 0.35 0.28 -1.08 0.00 0.00 179.45 179.98 3m3a h VAL 17 N 0.88 1.22 0.00 0.50 2.07 -0.79 -2.93 116.25 117.19 3m3a h VAL 17 Ca 0.14 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3m3a h VAL 17 Cb 0.63 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3m3a h VAL 17 CO 0.04 0.25 0.00 -0.33 0.02 0.00 0.00 177.57 177.56 3m3a h GLU 18 N 0.98 0.00 0.00 1.57 5.08 -1.04 -1.32 114.58 119.85 3m3a h GLU 18 Ca 0.24 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3m3a h GLU 18 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3m3a h GLU 18 CO -0.03 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.80 3m3a h ALA 19 N 2.06 1.50 -1.24 3.43 0.00 -1.51 -3.36 119.26 120.13 3m3a h ALA 19 Ca 0.00 -0.16 -0.34 0.00 0.00 0.00 0.00 54.91 54.42 3m3a h ALA 19 Cb 0.48 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.00 3m3a h ALA 19 CO 0.00 0.21 -0.71 -3.47 0.00 0.00 0.00 179.25 175.29 3m3a n ASP 20 N -4.01 -2.04 -0.13 0.00 4.64 -0.53 -5.01 116.55 109.46 3m3a n ASP 20 Ca -0.02 -2.85 -0.10 0.00 -1.38 0.00 0.00 54.79 50.44 3m3a n ASP 20 Cb 0.25 0.84 -0.01 0.00 -1.04 0.00 0.00 41.12 41.16 3m3a n ASP 20 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 3m3a h VAL 21 N 3.94 1.22 -0.59 5.18 2.07 -1.62 -2.68 116.25 123.76 3m3a h VAL 21 Ca 0.06 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.86 3m3a h VAL 21 Cb 1.01 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3m3a h VAL 21 CO 0.25 0.26 0.37 0.00 0.02 0.00 0.00 177.57 178.47 3m3a h ALA 22 N 0.95 0.77 -0.68 1.67 0.00 -1.90 -0.85 119.26 119.22 3m3a h ALA 22 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3m3a h ALA 22 Cb 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3m3a h ALA 22 CO -0.00 0.12 0.40 0.78 0.00 0.00 0.00 179.25 180.56 3m3a h GLY 23 N 0.74 0.98 1.19 0.00 0.00 -1.92 -1.29 103.07 102.78 3m3a h GLY 23 Ca 0.23 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 3m3a h GLY 23 CO -0.09 0.40 0.09 0.45 0.00 0.00 0.00 176.54 177.39 3m3a h HIS 24 N 0.92 1.05 -0.63 5.60 3.86 -1.13 -1.77 115.15 123.05 3m3a h HIS 24 Ca 0.24 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 3m3a h HIS 24 Cb -0.02 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.13 3m3a h HIS 24 CO -0.01 0.90 0.31 0.78 0.86 0.00 0.00 177.93 180.77 3m3a h GLY 25 N 1.03 0.97 0.89 2.45 0.00 -0.78 0.39 103.07 108.01 3m3a h GLY 25 Ca 0.19 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3m3a h GLY 25 CO 0.01 0.45 0.08 1.46 0.00 0.00 0.00 176.54 178.54 3m3a h GLN 26 N 0.87 0.40 -0.70 4.80 4.20 -1.05 -1.58 115.11 122.06 3m3a h GLN 26 Ca 0.22 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 3m3a h GLN 26 Cb 0.10 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3m3a h GLN 26 CO -0.03 0.47 0.32 -0.44 -0.67 0.00 0.00 178.83 178.48 3m3a h ASP 27 N 0.25 0.91 -0.31 1.46 3.45 -0.95 -0.80 116.42 120.42 3m3a h ASP 27 Ca 0.08 -0.11 -0.06 0.00 0.43 0.00 0.00 57.03 57.38 3m3a h ASP 27 Cb 0.23 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 3m3a h ASP 27 CO -0.00 0.78 -0.03 0.40 -1.57 0.00 0.00 179.24 178.81 3m3a h ILE 28 N 0.99 1.27 -0.59 0.35 2.04 -0.72 -2.11 117.51 118.74 3m3a h ILE 28 Ca 0.24 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.00 3m3a h ILE 28 Cb 0.13 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3m3a h ILE 28 CO -0.03 0.33 0.07 0.45 0.00 0.00 0.00 178.15 178.98 3m3a h HIS 29 N 0.35 1.03 -0.53 1.37 3.86 -1.04 0.91 115.15 121.10 3m3a h HIS 29 Ca 0.08 -0.14 -0.08 0.00 -1.16 0.00 0.00 60.37 59.08 3m3a h HIS 29 Cb 0.50 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 3m3a h HIS 29 CO 0.04 0.89 0.02 0.82 0.86 0.00 0.00 177.93 180.57 3m3a h ILE 30 N 0.91 1.26 -0.03 2.45 2.04 -1.09 0.12 117.51 123.17 3m3a h ILE 30 Ca 0.18 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 3m3a h ILE 30 Cb 0.43 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3m3a h ILE 30 CO 0.01 0.38 0.01 -0.09 0.00 0.00 0.00 178.15 178.46 3m3a h ARG 31 N 0.79 0.04 -0.42 2.37 9.65 -1.16 -1.48 114.38 124.17 3m3a h ARG 31 Ca 0.15 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.09 3m3a h ARG 31 Cb 0.49 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.01 3m3a h ARG 31 CO 0.02 0.17 0.11 1.25 2.80 0.00 0.00 179.97 184.32 3m3a h LEU 32 N -0.10 0.06 -0.63 3.80 5.85 -0.55 0.14 115.31 123.88 3m3a h LEU 32 Ca 0.01 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 3m3a h LEU 32 Cb 0.15 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3m3a h LEU 32 CO -0.00 0.07 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.64 3m3a h PHE 33 N 0.25 0.90 0.00 1.25 0.04 -0.65 -1.05 116.94 117.68 3m3a h PHE 33 Ca 0.20 -0.22 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 3m3a h PHE 33 Cb 0.23 -0.21 0.01 0.00 2.20 0.00 0.00 35.95 38.18 3m3a h PHE 33 CO -0.19 0.97 -0.26 0.87 -0.60 0.00 0.00 178.31 179.09 3m3a h LYS 34 N 0.67 0.17 0.00 1.51 1.57 -1.08 -2.93 116.57 116.49 3m3a h LYS 34 Ca 0.08 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 3m3a h LYS 34 Cb 0.80 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 3m3a h LYS 34 CO 0.07 0.94 -0.36 0.77 -0.57 0.00 0.00 179.45 180.29 3m3a h SER 35 N -0.51 0.00 -2.01 0.86 0.02 -0.94 -3.37 113.55 107.60 3m3a h SER 35 Ca -0.03 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.40 3m3a h SER 35 Cb 1.03 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.22 3m3a h SER 35 CO 0.05 0.36 -0.94 1.41 -1.14 0.00 0.00 176.83 176.57 3m3a n HIS 36 N -4.06 -1.20 0.33 3.45 8.25 -0.40 -5.02 115.22 116.56 3m3a n HIS 36 Ca -0.02 -3.10 0.21 0.00 -0.26 0.00 0.00 57.72 54.55 3m3a n HIS 36 Cb 0.40 0.29 1.13 0.00 1.12 0.00 0.00 29.99 32.93 3m3a n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3m3a h PRO 37 N 5.05 0.00 0.00 -0.41 0.11 -1.69 0.22 132.00 135.28 3m3a h PRO 37 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 3m3a h PRO 37 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3m3a h PRO 37 CO 0.36 0.00 -0.01 1.05 -0.21 0.00 0.00 178.00 179.19 3m3a h GLU 38 N 0.00 0.00 -0.03 1.05 9.09 -1.91 -1.07 114.58 121.71 3m3a h GLU 38 Ca 0.00 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.24 3m3a h GLU 38 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.20 3m3a h GLU 38 CO -0.00 0.01 -0.77 1.15 0.05 0.00 0.00 179.01 179.45 3m3a h THR 39 N 0.00 1.45 -0.26 -1.06 2.02 -1.25 -2.93 112.91 110.88 3m3a h THR 39 Ca -0.00 -2.35 -0.12 0.00 0.77 0.00 0.00 66.41 64.70 3m3a h THR 39 Cb 0.08 2.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3m3a h THR 39 CO 0.00 0.69 -0.32 0.25 0.37 0.00 0.00 175.52 176.51 3m3a h LEU 40 N 0.14 0.73 -1.16 2.58 5.85 -1.34 -2.61 115.31 119.51 3m3a h LEU 40 Ca -0.03 -0.49 0.17 0.00 0.84 0.00 0.00 57.88 58.37 3m3a h LEU 40 Cb 1.34 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.08 3m3a h LEU 40 CO 0.12 1.08 0.61 -0.33 -0.34 0.00 0.00 178.44 179.58 3m3a h GLU 41 N 0.40 0.70 0.00 1.25 4.39 -1.45 0.08 114.58 119.95 3m3a h GLU 41 Ca 0.03 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 3m3a h GLU 41 Cb 0.90 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3m3a h GLU 41 CO 0.08 0.46 -0.29 0.87 -1.16 0.00 0.00 179.01 178.97 3m3a h LYS 42 N 0.72 0.00 -3.45 2.33 1.79 -1.31 -3.19 116.57 113.47 3m3a h LYS 42 Ca 0.52 0.00 -0.75 0.00 -2.18 0.00 0.00 60.65 58.24 3m3a h LYS 42 Cb 0.86 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.37 3m3a h LYS 42 CO -0.29 0.29 2.19 0.72 -1.08 0.00 0.00 179.45 181.29 3m3a n HIS 43 N -3.44 2.93 0.28 -1.35 8.25 0.02 -4.80 115.22 117.10 3m3a n HIS 43 Ca 0.00 -2.81 0.13 0.00 -0.26 0.00 0.00 57.72 54.78 3m3a n HIS 43 Cb 0.47 -2.00 0.80 0.00 1.12 0.00 0.00 29.99 30.38 3m3a n HIS 43 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 3m3a h ASP 44 N 5.64 0.00 0.80 0.41 3.58 -1.68 0.16 116.42 125.33 3m3a h ASP 44 Ca 0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.90 3m3a h ASP 44 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 3m3a h ASP 44 CO 1.64 0.04 0.00 -0.09 -2.88 0.00 0.00 179.24 177.95 3m3a h ARG 45 N 0.00 0.00 -0.02 0.28 2.43 -1.90 -3.20 114.38 111.97 3m3a h ARG 45 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3m3a h ARG 45 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3m3a h ARG 45 CO 0.01 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.66 3m3a n PHE 46 N -2.55 0.02 0.46 2.20 3.72 0.49 -4.69 117.46 117.10 3m3a n PHE 46 Ca 0.01 -0.08 0.09 0.00 -0.05 0.00 0.00 57.45 57.43 3m3a n PHE 46 Cb 0.25 -0.01 0.38 0.00 -0.94 0.00 0.00 39.48 39.16 3m3a n PHE 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3m3a n LYS 47 N 0.10 0.07 0.00 -1.08 4.81 -0.82 -1.36 118.16 119.89 3m3a n LYS 47 Ca 0.02 0.32 0.13 0.00 -0.87 0.00 0.00 58.31 57.91 3m3a n LYS 47 Cb 0.11 -1.64 0.68 0.00 0.02 0.00 0.00 35.03 34.19 3m3a n LYS 47 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3m3a n HIS 48 N -1.78 0.00 -2.80 5.64 1.44 -1.26 -4.54 115.22 111.92 3m3a n HIS 48 Ca 0.03 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.31 3m3a n HIS 48 Cb 0.19 -0.27 -0.03 0.00 0.12 0.00 0.00 29.99 30.00 3m3a n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3m3a s LEU 49 N -2.55 4.33 0.09 2.39 1.02 -0.46 -4.85 118.68 118.65 3m3a s LEU 49 Ca 0.26 -1.38 -0.03 0.00 0.02 0.00 0.00 54.13 53.00 3m3a s LEU 49 Cb 0.18 -2.45 -0.25 0.00 0.02 0.00 0.00 46.19 43.68 3m3a s LEU 49 CO 0.40 -1.36 1.18 0.11 0.02 0.00 0.00 176.35 176.70 3m3a h LYS 50 N 9.40 0.24 -6.03 1.70 6.56 -1.87 -3.45 116.57 123.13 3m3a h LYS 50 Ca -0.05 -0.39 -0.61 0.00 -1.06 0.00 0.00 60.65 58.54 3m3a h LYS 50 Cb 1.04 0.14 -0.13 0.00 -0.57 0.00 0.00 32.23 32.72 3m3a h LYS 50 CO 1.21 1.18 -0.69 -0.08 -2.06 0.00 0.00 179.45 179.01 3m3a s THR 51 N -2.72 2.42 0.38 -0.16 -1.32 -1.26 -5.02 115.64 107.95 3m3a s THR 51 Ca -0.03 -2.21 0.06 0.00 -1.21 0.00 0.00 61.69 58.30 3m3a s THR 51 Cb 0.08 -2.59 0.22 0.00 -1.51 0.00 0.00 72.50 68.70 3m3a s THR 51 CO 0.87 -0.26 1.98 -0.33 -2.21 0.00 0.00 174.62 174.68 3m3a h GLU 52 N 2.04 0.53 -0.44 7.08 5.08 -1.99 -0.92 114.58 125.97 3m3a h GLU 52 Ca -0.42 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 57.77 3m3a h GLU 52 Cb 1.25 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3m3a h GLU 52 CO 0.67 0.44 -0.16 0.00 -1.00 0.00 0.00 179.01 178.95 3m3a h ALA 53 N 1.65 0.88 -0.43 3.43 0.00 -1.99 -0.50 119.26 122.30 3m3a h ALA 53 Ca 0.13 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3m3a h ALA 53 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3m3a h ALA 53 CO -0.01 0.63 -0.22 0.93 0.00 0.00 0.00 179.25 180.58 3m3a h GLU 54 N 0.74 0.86 -0.24 0.00 5.08 -1.75 -1.92 114.58 117.35 3m3a h GLU 54 Ca 0.11 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3m3a h GLU 54 Cb 0.68 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3m3a h GLU 54 CO 0.05 0.99 0.07 0.52 -1.00 0.00 0.00 179.01 179.64 3m3a h MET 55 N 0.75 0.17 0.00 2.33 2.86 -0.85 -2.78 114.93 117.40 3m3a h MET 55 Ca 0.10 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 3m3a h MET 55 Cb 0.76 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3m3a h MET 55 CO 0.06 0.11 -0.40 0.87 1.06 0.00 0.00 176.91 178.61 3m3a h LYS 56 N 0.17 0.00 0.00 1.72 1.79 -0.95 -2.81 116.57 116.50 3m3a h LYS 56 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3m3a h LYS 56 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3m3a h LYS 56 CO -0.12 0.40 0.00 0.00 -1.08 0.00 0.00 179.45 178.65 3m3a n ALA 57 N -2.46 2.16 -2.59 3.86 0.00 -0.73 -4.78 120.51 115.97 3m3a n ALA 57 Ca -0.02 -0.06 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 3m3a n ALA 57 Cb 0.43 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 3m3a n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3m3a s SER 58 N -3.54 6.48 0.30 0.00 0.15 -1.06 -4.92 113.70 111.11 3m3a s SER 58 Ca 0.11 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.85 3m3a s SER 58 Cb 0.15 -2.48 0.47 0.00 -1.71 0.00 0.00 66.02 62.45 3m3a s SER 58 CO 0.50 -1.19 1.87 -0.08 1.20 0.00 0.00 173.24 175.54 3m3a h GLU 59 N 9.23 0.79 -0.06 5.44 4.57 -1.89 -2.27 114.58 130.39 3m3a h GLU 59 Ca -0.24 -0.14 -0.17 0.00 -1.18 0.00 0.00 59.36 57.63 3m3a h GLU 59 Cb 1.07 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 3m3a h GLU 59 CO 1.08 0.69 -0.71 0.22 -1.18 0.00 0.00 179.01 179.11 3m3a h ASP 60 N 0.78 0.35 -0.57 1.04 -0.00 -1.97 -0.93 116.42 115.11 3m3a h ASP 60 Ca 0.18 -0.23 -0.01 0.00 -0.00 0.00 0.00 57.03 56.97 3m3a h ASP 60 Cb 0.22 -0.10 -0.03 0.00 -0.00 0.00 0.00 39.33 39.42 3m3a h ASP 60 CO -0.01 0.95 0.30 0.25 -0.00 0.00 0.00 179.24 180.73 3m3a h LEU 61 N 0.20 0.73 -0.68 2.28 7.12 -1.88 -0.26 115.31 122.81 3m3a h LEU 61 Ca -0.02 -0.10 -0.00 0.00 0.13 0.00 0.00 57.88 57.88 3m3a h LEU 61 Cb 1.27 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 41.18 3m3a h LEU 61 CO 0.11 0.62 0.41 0.50 -0.13 0.00 0.00 178.44 179.96 3m3a h LYS 62 N 0.77 0.93 -0.69 1.25 3.64 -1.15 -1.34 116.57 119.97 3m3a h LYS 62 Ca 0.20 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3m3a h LYS 62 Cb 0.07 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3m3a h LYS 62 CO -0.03 0.66 0.24 1.57 -2.27 0.00 0.00 179.45 179.62 3m3a h LYS 63 N 0.93 1.05 -0.98 1.90 2.10 -0.82 -2.15 116.57 118.60 3m3a h LYS 63 Ca 0.25 -0.20 0.01 0.00 -2.00 0.00 0.00 60.65 58.70 3m3a h LYS 63 Cb -0.03 -0.16 -0.05 0.00 -0.90 0.00 0.00 32.23 31.09 3m3a h LYS 63 CO -0.05 0.88 0.64 1.25 -2.00 0.00 0.00 179.45 180.18 3m3a h HIS 64 N 1.02 1.25 -0.49 0.07 2.76 -0.50 0.10 115.15 119.36 3m3a h HIS 64 Ca 0.23 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.34 3m3a h HIS 64 Cb 0.26 -0.42 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3m3a h HIS 64 CO 0.02 0.80 -0.02 0.78 -1.30 0.00 0.00 177.93 178.20 3m3a h GLY 65 N 1.34 0.89 1.00 5.26 0.00 -0.73 -0.44 103.07 110.39 3m3a h GLY 65 Ca 0.36 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3m3a h GLY 65 CO -0.08 0.57 0.26 -2.08 0.00 0.00 0.00 176.54 175.22 3m3a h VAL 66 N 0.77 1.23 -0.25 4.60 2.07 -0.79 -0.03 116.25 123.85 3m3a h VAL 66 Ca 0.14 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 67.00 3m3a h VAL 66 Cb 0.49 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3m3a h VAL 66 CO 0.02 0.27 0.05 0.74 0.02 0.00 0.00 177.57 178.68 3m3a h THR 67 N 0.85 0.89 -0.20 2.57 2.02 -0.55 0.35 112.91 118.85 3m3a h THR 67 Ca 0.21 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.24 3m3a h THR 67 Cb 0.18 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3m3a h THR 67 CO -0.02 0.03 -0.23 -0.33 0.37 0.00 0.00 175.52 175.34 3m3a h GLU 68 N 0.15 0.50 -0.05 6.66 5.08 -0.94 -2.80 114.58 123.19 3m3a h GLU 68 Ca 0.11 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 3m3a h GLU 68 Cb 0.11 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3m3a h GLU 68 CO -0.14 0.86 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.22 3m3a h LEU 69 N 0.17 0.11 -0.42 1.33 4.07 -0.91 -0.63 115.31 119.02 3m3a h LEU 69 Ca 0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 3m3a h LEU 69 Cb 0.79 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.48 3m3a h LEU 69 CO 0.06 0.54 0.23 0.74 -1.08 0.00 0.00 178.44 178.92 3m3a h THR 70 N 0.09 1.16 -0.46 0.22 2.02 -0.93 0.52 112.91 115.52 3m3a h THR 70 Ca 0.00 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 3m3a h THR 70 Cb 0.81 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 3m3a h THR 70 CO 0.06 0.16 0.06 0.00 0.37 0.00 0.00 175.52 176.17 3m3a h ALA 71 N 1.08 0.62 -0.52 6.16 0.00 -1.24 -1.93 119.26 123.44 3m3a h ALA 71 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3m3a h ALA 71 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3m3a h ALA 71 CO -0.02 0.36 0.30 1.25 0.00 0.00 0.00 179.25 181.14 3m3a h LEU 72 N 0.64 0.63 -0.78 0.00 5.85 -0.85 -1.89 115.31 118.91 3m3a h LEU 72 Ca 0.14 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3m3a h LEU 72 Cb 0.42 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3m3a h LEU 72 CO 0.01 0.52 0.51 1.23 -0.34 0.00 0.00 178.44 180.38 3m3a h GLY 73 N 0.69 1.12 0.92 3.75 0.00 -0.71 0.49 103.07 109.34 3m3a h GLY 73 Ca 0.18 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.15 3m3a h GLY 73 CO -0.03 0.36 0.59 0.00 0.00 0.00 0.00 176.54 177.45 3m3a h ALA 74 N 1.31 1.17 -0.02 3.60 0.00 -1.06 -0.03 119.26 124.23 3m3a h ALA 74 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3m3a h ALA 74 Cb -0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 3m3a h ALA 74 CO -0.09 0.47 0.01 0.82 0.00 0.00 0.00 179.25 180.46 3m3a h ILE 75 N 1.16 1.01 -0.78 0.00 2.04 -0.51 -2.74 117.51 117.69 3m3a h ILE 75 Ca 0.35 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 66.14 3m3a h ILE 75 Cb -0.04 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3m3a h ILE 75 CO -0.10 0.01 0.31 -0.07 0.00 0.00 0.00 178.15 178.30 3m3a h LEU 76 N 0.01 1.07 -2.37 1.44 3.38 -0.36 -1.70 115.31 116.78 3m3a h LEU 76 Ca 0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3m3a h LEU 76 Cb 0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3m3a h LEU 76 CO -0.00 0.95 -0.03 0.11 0.09 0.00 0.00 178.44 179.56 3m3a h LYS 77 N 1.13 0.00 0.00 1.13 1.57 -0.89 -0.76 116.57 118.74 3m3a h LYS 77 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3m3a h LYS 77 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3m3a h LYS 77 CO -0.02 0.03 0.00 1.63 -0.57 0.00 0.00 179.45 180.52 3m3a n LYS 78 N -3.32 0.02 -3.72 3.15 5.02 -0.64 -4.95 118.16 113.71 3m3a n LYS 78 Ca -0.02 0.10 -0.27 0.00 -2.02 0.00 0.00 58.31 56.10 3m3a n LYS 78 Cb 0.16 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.70 3m3a n LYS 78 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3m3a n LYS 79 N -1.49 -2.45 0.00 1.97 5.02 -0.29 -1.88 118.16 119.03 3m3a n LYS 79 Ca 0.06 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 3m3a n LYS 79 Cb 0.26 -4.51 0.00 0.00 -0.02 0.00 0.00 35.03 30.76 3m3a n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m3a n GLY 80 N -1.70 2.86 2.69 0.72 0.00 -1.26 -4.89 105.19 103.61 3m3a n GLY 80 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3m3a n GLY 80 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3m3a n HIS 81 N -0.25 2.65 -0.92 1.61 -0.00 -0.79 -4.56 115.22 112.96 3m3a n HIS 81 Ca 0.00 -2.72 0.08 0.00 -0.00 0.00 0.00 57.72 55.08 3m3a n HIS 81 Cb 0.00 -1.65 0.24 0.00 -0.00 0.00 0.00 29.99 28.59 3m3a n HIS 81 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3m3a n HIS 82 N 1.86 0.84 -0.24 1.57 1.44 -1.26 -4.71 115.22 114.71 3m3a n HIS 82 Ca 0.48 -0.85 0.03 0.00 -2.01 0.00 0.00 57.72 55.37 3m3a n HIS 82 Cb 0.29 -0.28 0.15 0.00 0.12 0.00 0.00 29.99 30.27 3m3a n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3m3a h GLU 83 N 1.70 0.44 -0.28 -1.40 4.81 -1.98 0.85 114.58 118.71 3m3a h GLU 83 Ca 0.00 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3m3a h GLU 83 Cb 1.35 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.58 3m3a h GLU 83 CO 0.19 0.29 -0.03 0.00 -0.73 0.00 0.00 179.01 178.73 3m3a h ALA 84 N 1.49 0.22 -0.05 2.92 0.00 -1.99 -1.97 119.26 119.88 3m3a h ALA 84 Ca 0.37 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 55.17 3m3a h ALA 84 Cb 0.50 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3m3a h ALA 84 CO -0.35 -0.43 -0.81 0.93 0.00 0.00 0.00 179.25 178.59 3m3a h GLU 85 N 0.05 0.39 -0.51 0.00 4.39 -1.80 -3.26 114.58 113.84 3m3a h GLU 85 Ca 0.13 -0.36 -0.11 0.00 0.34 0.00 0.00 59.36 59.36 3m3a h GLU 85 Cb 0.19 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3m3a h GLU 85 CO -0.25 1.01 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.42 3m3a h LEU 86 N 0.25 0.97 0.06 1.33 4.07 -0.64 -3.31 115.31 118.04 3m3a h LEU 86 Ca -0.05 -0.32 0.03 0.00 0.08 0.00 0.00 57.88 57.62 3m3a h LEU 86 Cb 1.41 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 42.84 3m3a h LEU 86 CO 0.14 1.10 -0.31 0.11 -1.08 0.00 0.00 178.44 178.39 3m3a h LYS 87 N 0.86 -0.48 -0.52 1.13 1.57 -1.40 0.46 116.57 118.20 3m3a h LYS 87 Ca 0.13 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3m3a h LYS 87 Cb 0.68 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 3m3a h LYS 87 CO 0.05 -0.32 0.22 -1.00 -0.57 0.00 0.00 179.45 177.83 3m3a h PRO 88 N -0.50 0.74 -0.58 3.15 0.13 -1.75 -2.35 132.00 130.85 3m3a h PRO 88 Ca 0.05 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 3m3a h PRO 88 Cb 0.56 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.52 3m3a h PRO 88 CO -0.22 0.60 0.22 -0.07 -0.23 0.00 0.00 178.00 178.30 3m3a h LEU 89 N 0.74 0.80 -0.38 1.56 4.07 -1.43 -1.38 115.31 119.29 3m3a h LEU 89 Ca 0.18 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3m3a h LEU 89 Cb 0.13 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 3m3a h LEU 89 CO -0.02 0.76 0.25 0.00 -1.08 0.00 0.00 178.44 178.35 3m3a h ALA 90 N 1.07 0.48 0.33 1.53 0.00 -0.76 1.00 119.26 122.92 3m3a h ALA 90 Ca 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3m3a h ALA 90 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3m3a h ALA 90 CO -0.01 -0.05 -0.35 1.96 0.00 0.00 0.00 179.25 180.80 3m3a h GLN 91 N 0.51 -0.69 -0.18 0.00 4.20 -1.00 -0.02 115.11 117.93 3m3a h GLN 91 Ca 0.14 0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.69 3m3a h GLN 91 Cb -0.04 0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.90 3m3a h GLN 91 CO -0.03 -0.46 -0.71 0.66 -0.67 0.00 0.00 178.83 177.62 3m3a h SER 92 N -0.72 0.90 0.35 1.46 4.64 -1.16 -1.43 113.55 117.59 3m3a h SER 92 Ca -0.02 -0.56 -0.15 0.00 -0.47 0.00 0.00 61.79 60.59 3m3a h SER 92 Cb 0.66 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3m3a h SER 92 CO -0.08 1.35 -0.63 0.45 -0.87 0.00 0.00 176.83 177.06 3m3a h HIS 93 N 0.54 0.35 0.04 4.77 3.86 -0.77 0.02 115.15 123.97 3m3a h HIS 93 Ca -0.03 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.04 3m3a h HIS 93 Cb 1.33 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.74 3m3a h HIS 93 CO 0.08 0.82 -0.02 0.00 0.86 0.00 0.00 177.93 179.67 3m3a h ALA 94 N 1.14 -0.05 0.00 2.45 0.00 -1.01 0.57 119.26 122.36 3m3a h ALA 94 Ca -0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3m3a h ALA 94 Cb 1.15 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3m3a h ALA 94 CO 0.10 -0.22 -1.93 0.25 0.00 0.00 0.00 179.25 177.45 3m3a n THR 95 N -4.83 0.00 -0.05 0.00 -2.24 -0.54 -3.97 114.28 102.65 3m3a n THR 95 Ca -0.09 -0.46 -0.06 0.00 -2.27 0.00 0.00 64.05 61.17 3m3a n THR 95 Cb 0.30 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 3m3a n THR 95 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3m3a n LYS 96 N -2.20 0.37 0.15 -0.78 5.02 -0.35 -4.69 118.16 115.67 3m3a n LYS 96 Ca -0.04 0.14 0.02 0.00 -2.02 0.00 0.00 58.31 56.42 3m3a n LYS 96 Cb 0.53 -1.13 0.13 0.00 -0.02 0.00 0.00 35.03 34.53 3m3a n LYS 96 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3m3a h HIS 97 N -0.69 0.00 -4.64 2.13 3.86 -1.22 -3.48 115.15 111.11 3m3a h HIS 97 Ca 0.00 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.99 3m3a h HIS 97 Cb 0.69 0.00 0.13 0.00 1.06 0.00 0.00 27.41 29.29 3m3a h HIS 97 CO -0.30 0.52 -0.57 1.63 0.86 0.00 0.00 177.93 180.08 3m3a n LYS 98 N -3.36 -3.96 -3.36 2.45 4.76 -0.51 -4.98 118.16 109.19 3m3a n LYS 98 Ca 0.01 0.61 -0.41 0.00 -2.87 0.00 0.00 58.31 55.65 3m3a n LYS 98 Cb 0.67 -4.83 -0.09 0.00 -1.84 0.00 0.00 35.03 28.95 3m3a n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3m3a s ILE 99 N -3.26 5.13 0.52 -0.18 -1.09 0.08 -5.02 121.20 117.37 3m3a s ILE 99 Ca 0.08 0.23 -0.22 0.00 -2.23 0.00 0.00 60.65 58.51 3m3a s ILE 99 Cb -0.01 -3.83 -0.06 0.00 -1.58 0.00 0.00 42.46 36.98 3m3a s ILE 99 CO 0.52 -0.07 1.26 -2.84 -1.23 0.00 0.00 174.94 172.58 3m3a s PRO 100 N 2.13 3.38 0.37 2.79 0.02 -1.26 -4.76 135.00 137.66 3m3a s PRO 100 Ca 0.14 1.99 0.08 0.00 0.02 0.00 0.00 61.00 63.23 3m3a s PRO 100 Cb -0.16 -2.28 0.82 0.00 0.02 0.00 0.00 34.50 32.90 3m3a s PRO 100 CO 0.12 -0.92 1.93 0.82 -0.33 0.00 0.00 177.00 178.61 3m3a h ILE 101 N 1.55 0.94 -0.03 2.83 1.08 -0.34 -0.61 117.51 122.92 3m3a h ILE 101 Ca -0.50 -0.23 0.01 0.00 -0.39 0.00 0.00 64.86 63.74 3m3a h ILE 101 Cb 1.28 0.20 -0.00 0.00 -3.07 0.00 0.00 36.82 35.23 3m3a h ILE 101 CO 0.58 0.12 0.02 0.07 -0.69 0.00 0.00 178.15 178.26 3m3a h LYS 102 N 0.67 0.02 0.00 2.37 2.10 -1.91 0.27 116.57 120.10 3m3a h LYS 102 Ca 0.35 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.96 3m3a h LYS 102 Cb 0.47 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 3m3a h LYS 102 CO -0.13 0.01 -0.19 1.88 -2.00 0.00 0.00 179.45 179.02 3m3a h TYR 103 N 0.02 0.00 -0.06 0.07 -1.99 -1.46 -2.01 116.97 111.54 3m3a h TYR 103 Ca 0.01 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.62 3m3a h TYR 103 Cb 0.03 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 3m3a h TYR 103 CO -0.00 0.19 -0.55 -0.07 -0.00 0.00 0.00 178.16 177.73 3m3a h LEU 104 N 0.00 0.18 -0.59 3.88 4.07 -0.96 -0.86 115.31 121.03 3m3a h LEU 104 Ca -0.00 -0.09 -0.08 0.00 0.08 0.00 0.00 57.88 57.79 3m3a h LEU 104 Cb 0.57 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 3m3a h LEU 104 CO 0.02 0.69 0.07 -0.33 -1.08 0.00 0.00 178.44 177.81 3m3a h GLU 105 N 0.12 0.99 -0.50 1.13 5.08 -1.26 0.11 114.58 120.26 3m3a h GLU 105 Ca -0.00 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 3m3a h GLU 105 Cb 1.00 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 3m3a h GLU 105 CO 0.08 0.95 0.27 0.74 -1.00 0.00 0.00 179.01 180.05 3m3a h PHE 106 N 0.89 0.50 -0.68 4.33 0.04 -1.03 -2.05 116.94 118.94 3m3a h PHE 106 Ca 0.17 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 3m3a h PHE 106 Cb 0.46 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 3m3a h PHE 106 CO 0.03 0.26 0.39 1.49 -0.60 0.00 0.00 178.31 179.89 3m3a h GLU 107 N 0.53 0.93 -0.81 1.51 4.81 -0.93 -1.97 114.58 118.64 3m3a h GLU 107 Ca 0.21 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3m3a h GLU 107 Cb 0.09 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 3m3a h GLU 107 CO -0.13 0.67 0.54 0.77 -0.73 0.00 0.00 179.01 180.13 3m3a h SER 108 N 0.92 0.94 -0.41 1.04 0.02 -0.68 0.77 113.55 116.15 3m3a h SER 108 Ca 0.24 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 3m3a h SER 108 Cb -0.00 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3m3a h SER 108 CO -0.04 0.68 0.10 -0.33 -1.14 0.00 0.00 176.83 176.10 3m3a h GLU 109 N 1.10 0.65 -0.51 3.45 5.08 -0.90 -0.75 114.58 122.71 3m3a h GLU 109 Ca 0.30 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3m3a h GLU 109 Cb -0.12 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3m3a h GLU 109 CO -0.06 0.67 -0.04 0.00 -1.00 0.00 0.00 179.01 178.57 3m3a h ALA 110 N 0.95 0.69 -0.10 3.43 0.00 -0.62 0.84 119.26 124.46 3m3a h ALA 110 Ca 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3m3a h ALA 110 Cb 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3m3a h ALA 110 CO 0.00 0.55 0.06 0.82 0.00 0.00 0.00 179.25 180.68 3m3a h ILE 111 N 0.80 1.04 -0.49 0.00 2.04 -0.74 0.26 117.51 120.41 3m3a h ILE 111 Ca 0.14 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 3m3a h ILE 111 Cb 0.58 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3m3a h ILE 111 CO 0.04 0.04 -0.04 0.40 0.00 0.00 0.00 178.15 178.59 3m3a h ILE 112 N 0.11 1.25 -0.17 -0.67 2.04 -0.90 -0.64 117.51 118.54 3m3a h ILE 112 Ca 0.04 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.80 3m3a h ILE 112 Cb 0.01 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3m3a h ILE 112 CO -0.01 0.38 0.10 -0.74 0.00 0.00 0.00 178.15 177.88 3m3a h HIS 113 N 0.78 0.24 -0.48 1.37 2.76 -0.53 -2.09 115.15 117.20 3m3a h HIS 113 Ca 0.14 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.26 3m3a h HIS 113 Cb 0.52 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 3m3a h HIS 113 CO 0.03 0.22 0.10 0.28 -1.30 0.00 0.00 177.93 177.26 3m3a h VAL 114 N 0.18 1.21 -0.12 5.26 2.07 -0.61 -0.72 116.25 123.52 3m3a h VAL 114 Ca 0.06 -0.78 -0.16 0.00 0.82 0.00 0.00 66.70 66.65 3m3a h VAL 114 Cb 0.06 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3m3a h VAL 114 CO -0.01 0.29 -0.59 -0.07 0.02 0.00 0.00 177.57 177.21 3m3a h LEU 115 N 0.70 0.45 0.00 2.57 4.07 -0.93 -0.69 115.31 121.48 3m3a h LEU 115 Ca 0.16 -0.25 -0.04 0.00 0.08 0.00 0.00 57.88 57.82 3m3a h LEU 115 Cb 0.29 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 3m3a h LEU 115 CO 0.00 0.94 -0.38 1.12 -1.08 0.00 0.00 178.44 179.03 3m3a h HIS 116 N 0.30 0.00 0.00 1.13 2.07 -1.12 0.58 115.15 118.12 3m3a h HIS 116 Ca -0.00 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.34 3m3a h HIS 116 Cb 1.11 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.07 3m3a h HIS 116 CO 0.03 0.19 -0.84 0.77 -3.07 0.00 0.00 177.93 175.01 3m3a h SER 117 N 0.00 0.06 0.35 3.10 0.02 -0.61 -3.25 113.55 113.21 3m3a h SER 117 Ca -0.01 -0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 60.63 3m3a h SER 117 Cb 1.15 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.63 3m3a h SER 117 CO 0.02 0.87 -1.88 0.54 -1.14 0.00 0.00 176.83 175.25 3m3a n ARG 118 N -3.58 0.65 -2.94 3.45 1.74 -0.31 -4.73 116.66 110.93 3m3a n ARG 118 Ca -0.01 0.14 -0.17 0.00 -0.77 0.00 0.00 57.85 57.03 3m3a n ARG 118 Cb 0.80 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 30.54 3m3a n ARG 118 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3m3a n HIS 119 N -2.84 1.22 -0.16 -1.55 8.25 0.19 -4.97 115.22 115.36 3m3a n HIS 119 Ca -0.19 -3.48 -0.04 0.00 -0.26 0.00 0.00 57.72 53.75 3m3a n HIS 119 Cb 0.99 -0.39 0.03 0.00 1.12 0.00 0.00 29.99 31.74 3m3a n HIS 119 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3m3a h PRO 120 N 2.96 -0.05 -1.10 -0.41 0.11 -1.74 -1.81 132.00 129.96 3m3a h PRO 120 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3m3a h PRO 120 Cb 0.97 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3m3a h PRO 120 CO 0.57 -0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.73 3m3a n GLY 121 N -1.39 1.41 0.00 -0.55 0.00 -1.26 -1.88 105.19 101.53 3m3a n GLY 121 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3m3a n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3m3a n ASP 122 N 0.48 0.00 -3.03 1.61 10.43 -0.73 -5.00 116.55 120.31 3m3a n ASP 122 Ca 0.00 -0.78 -0.20 0.00 2.57 0.00 0.00 54.79 56.38 3m3a n ASP 122 Cb 0.32 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.26 3m3a n ASP 122 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 3m3a n PHE 123 N 0.00 1.61 -1.60 1.24 7.35 -0.79 -4.69 117.46 120.58 3m3a n PHE 123 Ca 0.00 -3.74 -0.14 0.00 -0.76 0.00 0.00 57.45 52.82 3m3a n PHE 123 Cb 0.20 -0.42 0.09 0.00 0.35 0.00 0.00 39.48 39.70 3m3a n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3m3a n GLY 124 N 0.05 -0.98 0.35 7.13 0.00 -1.26 -4.59 105.19 105.89 3m3a n GLY 124 Ca 0.26 -1.74 0.08 0.00 0.00 0.00 0.00 46.02 44.62 3m3a n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3a h ALA 125 N -1.68 1.47 -0.19 4.61 0.00 -1.98 0.21 119.26 121.70 3m3a h ALA 125 Ca -0.20 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3m3a h ALA 125 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3m3a h ALA 125 CO 0.15 0.13 0.08 -0.44 0.00 0.00 0.00 179.25 179.17 3m3a h ASP 126 N 0.89 0.27 -0.63 0.00 3.45 -1.99 0.68 116.42 119.09 3m3a h ASP 126 Ca 0.49 -0.16 -0.03 0.00 0.43 0.00 0.00 57.03 57.76 3m3a h ASP 126 Cb 0.56 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 39.23 3m3a h ASP 126 CO -0.29 0.36 0.28 0.00 -1.57 0.00 0.00 179.24 178.01 3m3a h ALA 127 N 0.92 0.81 -0.71 3.45 0.00 -1.73 -1.00 119.26 121.01 3m3a h ALA 127 Ca 0.06 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3m3a h ALA 127 Cb 0.17 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3m3a h ALA 127 CO -0.01 0.40 0.44 1.96 0.00 0.00 0.00 179.25 182.05 3m3a h GLN 128 N 0.87 0.83 -0.69 0.00 4.20 -0.83 0.04 115.11 119.54 3m3a h GLN 128 Ca 0.21 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 3m3a h GLN 128 Cb 0.16 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3m3a h GLN 128 CO -0.02 0.55 0.16 0.78 -0.67 0.00 0.00 178.83 179.62 3m3a h GLY 129 N 0.85 1.19 0.95 3.46 0.00 -0.52 0.23 103.07 109.23 3m3a h GLY 129 Ca 0.29 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 3m3a h GLY 129 CO -0.12 0.70 -0.11 0.00 0.00 0.00 0.00 176.54 177.01 3m3a h ALA 130 N 1.11 0.50 -0.64 3.60 0.00 -0.73 -1.19 119.26 121.92 3m3a h ALA 130 Ca 0.22 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3m3a h ALA 130 Cb 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3m3a h ALA 130 CO 0.00 0.37 0.08 1.98 0.00 0.00 0.00 179.25 181.69 3m3a h MET 131 N 0.50 1.08 -0.69 0.00 -1.53 -0.86 -0.58 114.93 112.85 3m3a h MET 131 Ca 0.09 -0.30 0.02 0.00 -3.44 0.00 0.00 59.70 56.07 3m3a h MET 131 Cb 0.62 -0.12 -0.04 0.00 -0.55 0.00 0.00 31.60 31.51 3m3a h MET 131 CO 0.04 1.00 0.44 -0.97 0.14 0.00 0.00 176.91 177.56 3m3a h ASN 132 N 0.99 0.73 -0.50 1.39 -0.73 -0.32 -1.03 115.58 116.11 3m3a h ASN 132 Ca 0.19 -0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.31 3m3a h ASN 132 Cb 0.46 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.87 3m3a h ASN 132 CO 0.02 0.51 0.14 0.11 -0.37 0.00 0.00 177.43 177.84 3m3a h LYS 133 N 0.87 0.78 -0.58 6.67 1.57 -0.92 0.22 116.57 125.18 3m3a h LYS 133 Ca 0.27 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3m3a h LYS 133 Cb -0.02 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3m3a h LYS 133 CO -0.09 0.74 0.21 0.00 -0.57 0.00 0.00 179.45 179.74 3m3a h ALA 134 N 1.00 0.75 -0.04 3.86 0.00 -0.83 0.58 119.26 124.59 3m3a h ALA 134 Ca 0.16 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3m3a h ALA 134 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3m3a h ALA 134 CO -0.00 0.38 -0.64 -0.07 0.00 0.00 0.00 179.25 178.92 3m3a h LEU 135 N 0.80 0.19 -0.33 0.00 3.38 -1.01 -2.07 115.31 116.27 3m3a h LEU 135 Ca 0.19 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3m3a h LEU 135 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3m3a h LEU 135 CO -0.01 0.78 -0.15 -0.08 0.09 0.00 0.00 178.44 179.07 3m3a h GLU 136 N 0.12 0.69 -0.41 1.13 4.81 -0.66 -1.28 114.58 118.98 3m3a h GLU 136 Ca -0.01 -0.30 0.08 0.00 -0.13 0.00 0.00 59.36 59.00 3m3a h GLU 136 Cb 1.16 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.44 3m3a h GLU 136 CO 0.09 0.89 -0.08 1.25 -0.73 0.00 0.00 179.01 180.44 3m3a h LEU 137 N 0.46 -0.34 -0.15 1.64 5.85 -0.81 -0.45 115.31 121.51 3m3a h LEU 137 Ca 0.07 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.96 3m3a h LEU 137 Cb 0.68 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 3m3a h LEU 137 CO 0.05 -0.12 -0.25 0.15 -0.34 0.00 0.00 178.44 177.93 3m3a h PHE 138 N 0.02 -0.66 -0.28 1.25 3.57 -1.15 -1.21 116.94 118.48 3m3a h PHE 138 Ca 0.20 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 3m3a h PHE 138 Cb 0.30 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 3m3a h PHE 138 CO -0.34 -0.33 0.15 0.00 -2.23 0.00 0.00 178.31 175.56 3m3a h ARG 139 N -0.30 0.40 -0.96 1.11 3.08 -0.83 0.19 114.38 117.07 3m3a h ARG 139 Ca 0.11 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.17 3m3a h ARG 139 Cb 0.46 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 3m3a h ARG 139 CO -0.33 0.36 0.62 0.87 -1.07 0.00 0.00 179.97 180.43 3m3a h LYS 140 N 0.34 1.10 -0.21 0.04 1.57 -0.90 0.25 116.57 118.76 3m3a h LYS 140 Ca 0.10 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 3m3a h LYS 140 Cb 0.08 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.15 3m3a h LYS 140 CO -0.01 0.73 -0.53 -0.44 -0.57 0.00 0.00 179.45 178.62 3m3a h ASP 141 N 1.13 0.83 -0.60 0.86 3.45 -0.63 -2.31 116.42 119.15 3m3a h ASP 141 Ca 0.41 -0.57 -0.01 0.00 0.43 0.00 0.00 57.03 57.28 3m3a h ASP 141 Cb 0.14 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.65 3m3a h ASP 141 CO -0.15 1.25 0.32 0.40 -1.57 0.00 0.00 179.24 179.49 3m3a h ILE 142 N 0.44 1.20 -0.77 0.35 1.08 -0.12 -1.98 117.51 117.70 3m3a h ILE 142 Ca -0.01 -0.50 0.10 0.00 -0.39 0.00 0.00 64.86 64.06 3m3a h ILE 142 Cb 1.15 0.44 -0.08 0.00 -3.07 0.00 0.00 36.82 35.26 3m3a h ILE 142 CO 0.12 0.21 0.41 0.00 -0.69 0.00 0.00 178.15 178.20 3m3a h ALA 143 N 1.15 1.09 -0.31 1.87 0.00 -0.39 0.12 119.26 122.80 3m3a h ALA 143 Ca 0.21 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3m3a h ALA 143 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3m3a h ALA 143 CO -0.03 -0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.23 3m3a h ALA 144 N 1.46 0.41 -0.10 0.00 0.00 -1.15 -1.81 119.26 118.07 3m3a h ALA 144 Ca 0.38 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3m3a h ALA 144 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3m3a h ALA 144 CO -0.27 0.14 -0.41 0.87 0.00 0.00 0.00 179.25 179.58 3m3a h LYS 145 N 0.33 0.22 -0.09 0.00 1.57 -0.78 -1.05 116.57 116.76 3m3a h LYS 145 Ca 0.09 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3m3a h LYS 145 Cb 0.41 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3m3a h LYS 145 CO 0.01 0.59 -0.09 1.88 -0.57 0.00 0.00 179.45 181.28 3m3a h TYR 146 N 0.18 -0.21 -0.80 -1.35 -1.99 -0.48 -0.43 116.97 111.89 3m3a h TYR 146 Ca 0.02 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 3m3a h TYR 146 Cb 0.80 0.11 -0.04 0.00 2.00 0.00 0.00 36.73 39.60 3m3a h TYR 146 CO 0.01 -0.14 0.37 0.87 -0.00 0.00 0.00 178.16 179.27 3m3a h LYS 147 N -0.11 1.15 -0.23 4.88 1.57 -0.64 0.13 116.57 123.32 3m3a h LYS 147 Ca 0.07 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 3m3a h LYS 147 Cb 0.20 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3m3a h LYS 147 CO -0.16 0.90 -0.26 0.93 -0.57 0.00 0.00 179.45 180.29 3m3a h GLU 148 N 1.14 0.45 0.00 3.15 5.08 -0.96 -1.43 114.58 122.02 3m3a h GLU 148 Ca 0.27 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3m3a h GLU 148 Cb 0.14 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3m3a h GLU 148 CO -0.03 0.68 0.00 1.28 -1.00 0.00 0.00 179.01 179.94 3m3a n LEU 149 N -4.12 0.40 0.00 1.33 4.77 -0.19 -5.03 117.00 114.15 3m3a n LEU 149 Ca -0.00 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3m3a n LEU 149 Cb 0.41 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3m3a n LEU 149 CO 0.42 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3m3a n GLY 150 N 0.93 0.74 2.11 -0.72 0.00 0.39 -5.07 105.19 103.57 3m3a n GLY 150 Ca 0.05 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3m3a n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m3a n TYR 151 N 1.16 -3.53 -1.25 1.61 4.01 -1.26 -4.43 117.16 113.48 3m3a n TYR 151 Ca 0.00 2.11 -0.37 0.00 -0.16 0.00 0.00 57.90 59.48 3m3a n TYR 151 Cb 0.00 -2.90 0.05 0.00 -0.31 0.00 0.00 39.34 36.18 3m3a n TYR 151 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3m3a n GLN 152 N 1.88 0.21 0.00 -0.72 1.13 -1.26 -4.58 117.38 114.04 3m3a n GLN 152 Ca 0.00 0.10 0.12 0.00 -1.94 0.00 0.00 57.00 55.28 3m3a n GLN 152 Cb 0.00 -1.53 0.73 0.00 0.11 0.00 0.00 30.24 29.56 3m3a n GLN 152 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03