#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3b s LEU 2 N 0.00 2.68 0.86 6.55 1.02 -1.26 -5.09 118.68 123.43 3m3b s LEU 2 Ca 0.00 -0.43 -0.11 0.00 0.02 0.00 0.00 54.13 53.61 3m3b s LEU 2 Cb 0.00 -1.56 0.11 0.00 0.02 0.00 0.00 46.19 44.76 3m3b s LEU 2 CO 0.00 0.24 1.10 -0.94 0.02 0.00 0.00 176.35 176.77 3m3b s SER 3 N -1.61 3.68 0.44 2.29 1.04 -1.26 -4.83 113.70 113.44 3m3b s SER 3 Ca 0.16 1.82 0.13 0.00 0.48 0.00 0.00 55.95 58.53 3m3b s SER 3 Cb -0.11 -2.44 0.96 0.00 0.10 0.00 0.00 66.02 64.54 3m3b s SER 3 CO 0.07 -2.56 2.00 -0.08 0.98 0.00 0.00 173.24 173.65 3m3b h GLU 4 N -1.49 0.12 -0.57 4.02 4.57 -2.00 -1.94 114.58 117.29 3m3b h GLU 4 Ca -0.46 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 57.64 3m3b h GLU 4 Cb 1.26 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 3m3b h GLU 4 CO 0.50 0.23 0.11 0.78 -1.18 0.00 0.00 179.01 179.44 3m3b h GLY 5 N 0.52 1.01 0.97 1.92 0.00 -2.00 -0.60 103.07 104.89 3m3b h GLY 5 Ca 0.03 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 3m3b h GLY 5 CO 0.01 0.61 0.15 0.83 0.00 0.00 0.00 176.54 178.15 3m3b h GLU 6 N 0.84 0.33 -0.65 4.80 5.08 -1.81 -2.44 114.58 120.73 3m3b h GLU 6 Ca 0.18 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3m3b h GLU 6 Cb 0.39 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3m3b h GLU 6 CO 0.01 0.26 0.41 -1.49 -1.00 0.00 0.00 179.01 177.20 3m3b h TRP 7 N 0.30 0.84 -0.09 4.33 -0.00 -1.22 -1.08 115.95 119.03 3m3b h TRP 7 Ca 0.09 0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 58.94 3m3b h TRP 7 Cb 0.02 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 28.89 3m3b h TRP 7 CO -0.05 0.55 -0.16 1.96 -0.00 0.00 0.00 178.44 180.74 3m3b h GLN 8 N 0.89 0.14 -0.21 0.49 4.20 -0.72 -0.21 115.11 119.69 3m3b h GLN 8 Ca 0.24 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.74 3m3b h GLN 8 Cb -0.06 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3m3b h GLN 8 CO -0.05 0.31 -0.57 -0.07 -0.67 0.00 0.00 178.83 177.78 3m3b h LEU 9 N 0.13 0.74 0.07 1.46 3.38 -0.88 -0.48 115.31 119.74 3m3b h LEU 9 Ca 0.03 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 3m3b h LEU 9 Cb 0.37 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3m3b h LEU 9 CO 0.02 1.15 -0.03 0.58 0.09 0.00 0.00 178.44 180.25 3m3b h VAL 10 N 0.50 1.04 0.00 1.22 2.07 -0.73 -2.42 116.25 117.94 3m3b h VAL 10 Ca 0.01 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3m3b h VAL 10 Cb 1.14 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3m3b h VAL 10 CO 0.11 0.10 -0.21 -0.07 0.02 0.00 0.00 177.57 177.52 3m3b h LEU 11 N -0.27 0.00 -0.29 2.57 3.38 -0.99 -1.40 115.31 118.30 3m3b h LEU 11 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 3m3b h LEU 11 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3m3b h LEU 11 CO 0.02 0.21 -0.46 -0.74 0.09 0.00 0.00 178.44 177.56 3m3b h HIS 12 N 0.00 1.02 0.00 1.13 2.76 -0.98 -1.20 115.15 117.87 3m3b h HIS 12 Ca -0.00 -0.35 -0.12 0.00 -2.20 0.00 0.00 60.37 57.70 3m3b h HIS 12 Cb 0.81 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.56 3m3b h HIS 12 CO 0.00 1.16 -0.57 -0.39 -1.30 0.00 0.00 177.93 176.82 3m3b h VAL 13 N 0.59 1.10 -0.51 5.26 -1.51 -1.22 -3.04 116.25 116.92 3m3b h VAL 13 Ca 0.02 -2.23 -0.08 0.00 -1.23 0.00 0.00 66.70 63.18 3m3b h VAL 13 Cb 1.06 2.33 -0.02 0.00 -2.13 0.00 0.00 31.29 32.53 3m3b h VAL 13 CO 0.11 0.56 -0.01 -0.25 -1.23 0.00 0.00 177.57 176.75 3m3b h TRP 14 N 0.00 0.94 -0.23 5.19 2.91 -1.12 -1.79 115.95 121.84 3m3b h TRP 14 Ca -0.01 -0.14 0.07 0.00 1.13 0.00 0.00 58.89 59.94 3m3b h TRP 14 Cb 1.28 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 29.67 3m3b h TRP 14 CO 0.00 0.86 0.17 0.00 -1.03 0.00 0.00 178.44 178.44 3m3b h ALA 15 N 1.18 2.17 -0.00 2.65 0.00 -1.10 0.13 119.26 124.28 3m3b h ALA 15 Ca 0.15 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3m3b h ALA 15 Cb 0.49 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3m3b h ALA 15 CO 0.02 -0.29 -0.78 0.87 0.00 0.00 0.00 179.25 179.07 3m3b h LYS 16 N 0.00 0.03 -0.58 0.00 1.79 -1.30 -3.10 116.57 113.41 3m3b h LYS 16 Ca 0.11 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.51 3m3b h LYS 16 Cb 0.46 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 3m3b h LYS 16 CO -0.00 0.80 0.20 0.28 -1.08 0.00 0.00 179.45 179.64 3m3b h VAL 17 N 0.02 1.24 0.00 0.50 2.07 -0.12 -2.57 116.25 117.38 3m3b h VAL 17 Ca -0.01 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3m3b h VAL 17 Cb 1.38 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3m3b h VAL 17 CO 0.10 0.30 0.06 -0.62 0.02 0.00 0.00 177.57 177.43 3m3b n GLU 18 N -4.44 0.08 0.22 1.57 1.02 -0.20 -0.88 120.64 118.01 3m3b n GLU 18 Ca 0.03 0.56 0.14 0.00 -0.02 0.00 0.00 57.16 57.87 3m3b n GLU 18 Cb 0.19 -1.82 0.41 0.00 -0.02 0.00 0.00 31.44 30.20 3m3b n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m3b h ALA 19 N 1.82 1.00 -0.80 0.62 0.00 -1.45 -3.38 119.26 117.07 3m3b h ALA 19 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 3m3b h ALA 19 Cb 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.71 3m3b h ALA 19 CO 0.00 0.00 -0.60 -3.47 0.00 0.00 0.00 179.25 175.18 3m3b n ASP 20 N -2.92 -2.57 -0.07 0.00 4.64 -0.06 -5.01 116.55 110.57 3m3b n ASP 20 Ca 0.03 -3.01 -0.11 0.00 -1.38 0.00 0.00 54.79 50.32 3m3b n ASP 20 Cb 0.41 1.32 -0.04 0.00 -1.04 0.00 0.00 41.12 41.77 3m3b n ASP 20 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 3m3b h VAL 21 N 3.78 1.18 -0.15 5.18 2.07 -1.68 -2.46 116.25 124.17 3m3b h VAL 21 Ca -0.01 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.01 3m3b h VAL 21 Cb 1.03 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 3m3b h VAL 21 CO 0.23 0.18 -0.15 0.00 0.02 0.00 0.00 177.57 177.85 3m3b h ALA 22 N 0.92 -0.05 -0.71 1.67 0.00 -1.90 -0.93 119.26 118.26 3m3b h ALA 22 Ca 0.07 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3m3b h ALA 22 Cb 0.20 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3m3b h ALA 22 CO -0.00 -0.59 0.46 0.78 0.00 0.00 0.00 179.25 179.89 3m3b h GLY 23 N -0.18 1.00 1.00 0.00 0.00 -1.94 -1.07 103.07 101.88 3m3b h GLY 23 Ca 0.10 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 3m3b h GLY 23 CO -0.26 0.37 0.42 0.45 0.00 0.00 0.00 176.54 177.52 3m3b h HIS 24 N 0.96 0.91 -0.72 5.60 3.86 -1.03 -1.13 115.15 123.59 3m3b h HIS 24 Ca 0.26 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 3m3b h HIS 24 Cb -0.10 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.04 3m3b h HIS 24 CO -0.02 0.61 0.42 0.78 0.86 0.00 0.00 177.93 180.58 3m3b h GLY 25 N 0.94 1.06 0.98 2.45 0.00 -0.77 0.21 103.07 107.94 3m3b h GLY 25 Ca 0.25 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3m3b h GLY 25 CO -0.05 0.44 0.14 1.46 0.00 0.00 0.00 176.54 178.54 3m3b h GLN 26 N 0.99 0.31 -0.42 4.80 4.20 -0.97 -1.28 115.11 122.75 3m3b h GLN 26 Ca 0.26 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.88 3m3b h GLN 26 Cb -0.00 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3m3b h GLN 26 CO -0.05 0.24 -0.01 -0.44 -0.67 0.00 0.00 178.83 177.90 3m3b h ASP 27 N 0.30 0.65 -0.19 1.46 3.45 -0.75 -0.94 116.42 120.39 3m3b h ASP 27 Ca 0.08 -0.15 -0.08 0.00 0.43 0.00 0.00 57.03 57.32 3m3b h ASP 27 Cb 0.00 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.60 3m3b h ASP 27 CO -0.02 0.73 -0.19 0.40 -1.57 0.00 0.00 179.24 178.59 3m3b h ILE 28 N 0.64 1.33 -0.51 0.35 2.04 -0.36 -1.55 117.51 119.46 3m3b h ILE 28 Ca 0.13 -1.35 -0.07 0.00 1.00 0.00 0.00 64.86 64.57 3m3b h ILE 28 Cb 0.42 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3m3b h ILE 28 CO 0.02 0.41 0.06 0.45 0.00 0.00 0.00 178.15 179.08 3m3b h HIS 29 N 0.14 0.93 -0.52 1.37 3.86 -1.06 0.18 115.15 120.04 3m3b h HIS 29 Ca 0.03 -0.14 0.05 0.00 -1.16 0.00 0.00 60.37 59.15 3m3b h HIS 29 Cb 0.73 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 3m3b h HIS 29 CO 0.08 0.85 0.26 0.82 0.86 0.00 0.00 177.93 180.80 3m3b h ILE 30 N 0.74 0.95 -0.11 2.45 2.04 -1.13 0.32 117.51 122.77 3m3b h ILE 30 Ca 0.15 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3m3b h ILE 30 Cb 0.44 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3m3b h ILE 30 CO 0.01 0.09 0.06 -0.09 0.00 0.00 0.00 178.15 178.23 3m3b h ARG 31 N 0.51 0.15 -0.62 2.37 9.65 -0.95 -2.56 114.38 122.93 3m3b h ARG 31 Ca 0.23 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.05 3m3b h ARG 31 Cb 0.15 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 3m3b h ARG 31 CO -0.17 0.18 0.22 1.25 2.80 0.00 0.00 179.97 184.25 3m3b h LEU 32 N 0.08 0.89 -0.85 3.80 5.85 -0.16 -0.55 115.31 124.38 3m3b h LEU 32 Ca 0.04 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 3m3b h LEU 32 Cb 0.07 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3m3b h LEU 32 CO -0.01 0.84 -0.55 -0.26 -0.34 0.00 0.00 178.44 178.13 3m3b h PHE 33 N 0.88 0.00 0.03 1.25 0.04 -0.34 -1.50 116.94 117.30 3m3b h PHE 33 Ca 0.20 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.72 3m3b h PHE 33 Cb 0.25 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.42 3m3b h PHE 33 CO 0.02 0.55 -1.05 0.87 -0.60 0.00 0.00 178.31 178.09 3m3b h LYS 34 N 0.00 0.55 0.03 1.51 1.57 -1.16 -2.93 116.57 116.13 3m3b h LYS 34 Ca -0.01 -0.63 -0.21 0.00 -1.87 0.00 0.00 60.65 57.93 3m3b h LYS 34 Cb 1.01 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 3m3b h LYS 34 CO 0.07 1.24 -0.96 0.77 -0.57 0.00 0.00 179.45 180.00 3m3b h SER 35 N 0.29 0.26 -2.70 0.86 0.02 -1.07 -3.39 113.55 107.83 3m3b h SER 35 Ca -0.12 -0.23 -0.59 0.00 -0.84 0.00 0.00 61.79 60.01 3m3b h SER 35 Cb 1.70 -0.08 -0.39 0.00 0.14 0.00 0.00 62.40 63.77 3m3b h SER 35 CO 0.19 1.08 -0.85 -1.00 -1.14 0.00 0.00 176.83 175.12 3m3b s HIS 36 N -3.04 1.00 0.52 3.45 3.76 -0.57 -5.00 115.29 115.41 3m3b s HIS 36 Ca -0.03 -1.88 0.23 0.00 -0.15 0.00 0.00 55.06 53.24 3m3b s HIS 36 Cb 0.09 -1.08 1.49 0.00 1.11 0.00 0.00 32.58 34.19 3m3b s HIS 36 CO 0.84 -0.82 2.16 -1.35 -0.85 0.00 0.00 174.74 174.72 3m3b h PRO 37 N 6.73 0.00 0.00 8.40 0.11 -1.72 -1.27 132.00 144.25 3m3b h PRO 37 Ca 0.08 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 3m3b h PRO 37 Cb 0.95 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3m3b h PRO 37 CO 0.32 0.05 -0.11 1.05 -0.21 0.00 0.00 178.00 179.09 3m3b h GLU 38 N 0.00 0.00 -0.73 1.05 9.09 -1.92 -2.04 114.58 120.03 3m3b h GLU 38 Ca -0.00 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.43 3m3b h GLU 38 Cb 0.10 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.16 3m3b h GLU 38 CO 0.01 0.11 0.48 1.15 0.05 0.00 0.00 179.01 180.81 3m3b h THR 39 N 0.00 1.16 0.00 -1.06 2.02 -1.54 -2.38 112.91 111.11 3m3b h THR 39 Ca -0.00 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 3m3b h THR 39 Cb 0.29 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3m3b h THR 39 CO 0.01 0.17 -0.24 0.25 0.37 0.00 0.00 175.52 176.09 3m3b h LEU 40 N 0.95 0.00 -1.12 2.58 5.85 -1.51 -2.89 115.31 119.17 3m3b h LEU 40 Ca 0.27 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3m3b h LEU 40 Cb -0.06 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3m3b h LEU 40 CO -0.07 0.24 0.59 -0.33 -0.34 0.00 0.00 178.44 178.54 3m3b h GLU 41 N 0.00 1.13 0.07 1.25 4.39 -1.49 -2.91 114.58 117.02 3m3b h GLU 41 Ca -0.00 -0.07 -0.27 0.00 0.34 0.00 0.00 59.36 59.36 3m3b h GLU 41 Cb 0.68 -0.25 0.02 0.00 -0.10 0.00 0.00 28.75 29.10 3m3b h GLU 41 CO 0.03 0.74 -1.14 0.87 -1.16 0.00 0.00 179.01 178.35 3m3b h LYS 42 N 1.16 0.55 -3.66 2.33 1.79 -1.57 -3.30 116.57 113.88 3m3b h LYS 42 Ca 0.35 -0.69 -0.73 0.00 -2.18 0.00 0.00 60.65 57.40 3m3b h LYS 42 Cb -0.03 0.22 -0.10 0.00 -1.58 0.00 0.00 32.23 30.74 3m3b h LYS 42 CO -0.10 1.29 2.57 0.72 -1.08 0.00 0.00 179.45 182.86 3m3b n HIS 43 N -3.76 3.15 -0.36 -1.35 8.25 -1.10 -4.81 115.22 115.24 3m3b n HIS 43 Ca -0.11 -2.88 -0.09 0.00 -0.26 0.00 0.00 57.72 54.38 3m3b n HIS 43 Cb 0.94 -2.22 -0.08 0.00 1.12 0.00 0.00 29.99 29.75 3m3b n HIS 43 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3m3b n ASP 44 N 4.72 -0.89 0.00 0.41 -0.08 -1.24 -1.89 116.55 117.57 3m3b n ASP 44 Ca 0.47 1.52 0.00 0.00 -1.51 0.00 0.00 54.79 55.27 3m3b n ASP 44 Cb 0.37 -0.20 0.01 0.00 2.34 0.00 0.00 41.12 43.63 3m3b n ASP 44 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3m3b n ARG 45 N -5.08 0.01 -0.04 -0.67 0.63 -1.26 -0.55 116.66 109.70 3m3b n ARG 45 Ca 0.02 0.24 0.06 0.00 -0.92 0.00 0.00 57.85 57.25 3m3b n ARG 45 Cb 0.23 -1.50 0.07 0.00 0.45 0.00 0.00 32.46 31.71 3m3b n ARG 45 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3m3b n PHE 46 N -1.24 0.09 0.32 -0.14 3.72 -0.79 -4.61 117.46 114.81 3m3b n PHE 46 Ca 0.00 -0.09 0.20 0.00 -0.05 0.00 0.00 57.45 57.51 3m3b n PHE 46 Cb 0.00 -0.00 1.04 0.00 -0.94 0.00 0.00 39.48 39.58 3m3b n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3m3b h LYS 47 N 2.42 0.00 -0.01 -1.08 1.57 -0.95 -0.91 116.57 117.61 3m3b h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3m3b h LYS 47 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3m3b h LYS 47 CO 0.00 0.01 -0.13 -2.39 -0.57 0.00 0.00 179.45 176.38 3m3b n HIS 48 N -3.23 0.00 -2.52 -1.35 1.44 -1.26 -4.66 115.22 103.63 3m3b n HIS 48 Ca -0.02 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.28 3m3b n HIS 48 Cb 0.13 -0.10 -0.03 0.00 0.12 0.00 0.00 29.99 30.11 3m3b n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3m3b s LEU 49 N -2.33 3.35 0.00 2.39 1.02 -0.35 -4.85 118.68 117.92 3m3b s LEU 49 Ca 0.31 -1.00 0.24 0.00 0.02 0.00 0.00 54.13 53.70 3m3b s LEU 49 Cb 0.20 -2.56 0.35 0.00 0.02 0.00 0.00 46.19 44.20 3m3b s LEU 49 CO 0.45 -1.71 1.31 0.29 0.02 0.00 0.00 176.35 176.71 3m3b n LYS 50 N 9.08 0.10 -4.23 1.70 4.01 -1.26 -4.83 118.16 122.73 3m3b n LYS 50 Ca 0.22 -0.06 -0.17 0.00 -0.51 0.00 0.00 58.31 57.79 3m3b n LYS 50 Cb 0.50 -1.50 -0.11 0.00 -0.51 0.00 0.00 35.03 33.41 3m3b n LYS 50 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3m3b s THR 51 N -2.95 1.22 0.20 -0.18 2.01 -1.26 -5.06 115.64 109.62 3m3b s THR 51 Ca 0.12 -1.75 -0.08 0.00 0.31 0.00 0.00 61.69 60.29 3m3b s THR 51 Cb 0.17 -1.53 0.12 0.00 0.01 0.00 0.00 72.50 71.27 3m3b s THR 51 CO 0.72 -0.50 1.72 -0.08 -0.69 0.00 0.00 174.62 175.79 3m3b h GLU 52 N 3.42 1.14 -0.87 4.92 4.81 -1.99 -1.47 114.58 124.54 3m3b h GLU 52 Ca -0.39 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 58.56 3m3b h GLU 52 Cb 1.19 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 3m3b h GLU 52 CO 0.53 1.00 0.48 0.00 -0.73 0.00 0.00 179.01 180.29 3m3b h ALA 53 N 1.09 1.11 -0.21 2.92 0.00 -1.98 -0.34 119.26 121.85 3m3b h ALA 53 Ca 0.23 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3m3b h ALA 53 Cb 0.37 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3m3b h ALA 53 CO 0.00 0.61 -0.06 0.93 0.00 0.00 0.00 179.25 180.73 3m3b h GLU 54 N 1.21 -0.02 -0.71 0.00 5.08 -1.90 -0.41 114.58 117.82 3m3b h GLU 54 Ca 0.31 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.70 3m3b h GLU 54 Cb 0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3m3b h GLU 54 CO -0.05 -0.01 0.45 0.52 -1.00 0.00 0.00 179.01 178.92 3m3b h MET 55 N -0.02 0.85 -0.06 2.33 2.86 -0.70 -2.39 114.93 117.81 3m3b h MET 55 Ca 0.10 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 3m3b h MET 55 Cb 0.17 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3m3b h MET 55 CO -0.22 0.56 -0.42 0.87 1.06 0.00 0.00 176.91 178.76 3m3b h LYS 56 N 0.87 0.13 -0.00 1.72 1.57 -0.64 -2.92 116.57 117.30 3m3b h LYS 56 Ca 0.29 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3m3b h LYS 56 Cb 0.02 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3m3b h LYS 56 CO -0.11 0.54 -0.19 0.00 -0.57 0.00 0.00 179.45 179.12 3m3b n ALA 57 N -2.47 2.81 -2.62 3.86 0.00 -0.20 -4.81 120.51 117.07 3m3b n ALA 57 Ca -0.02 -0.21 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 3m3b n ALA 57 Cb 0.47 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 3m3b n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3m3b s SER 58 N -2.94 6.82 0.41 0.00 0.15 -0.93 -4.88 113.70 112.33 3m3b s SER 58 Ca 0.15 0.83 0.22 0.00 0.70 0.00 0.00 55.95 57.85 3m3b s SER 58 Cb 0.19 -2.53 0.67 0.00 -1.71 0.00 0.00 66.02 62.64 3m3b s SER 58 CO 0.58 -0.97 1.72 -0.08 1.20 0.00 0.00 173.24 175.69 3m3b h GLU 59 N 8.43 0.00 0.23 5.44 4.57 -1.89 -1.86 114.58 129.50 3m3b h GLU 59 Ca -0.22 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 57.97 3m3b h GLU 59 Cb 1.06 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 3m3b h GLU 59 CO 1.05 0.26 -0.28 0.22 -1.18 0.00 0.00 179.01 179.08 3m3b h ASP 60 N 0.00 -0.78 -0.34 1.04 -0.00 -1.96 0.23 116.42 114.61 3m3b h ASP 60 Ca -0.00 0.08 0.05 0.00 -0.00 0.00 0.00 57.03 57.15 3m3b h ASP 60 Cb 0.92 0.28 -0.05 0.00 -0.00 0.00 0.00 39.33 40.48 3m3b h ASP 60 CO 0.03 -0.39 0.06 0.25 -0.00 0.00 0.00 179.24 179.19 3m3b h LEU 61 N -0.56 -0.01 -0.34 2.28 6.46 -1.87 -0.81 115.31 120.46 3m3b h LEU 61 Ca 0.00 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 3m3b h LEU 61 Cb 0.54 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 3m3b h LEU 61 CO -0.10 0.03 0.18 0.50 -0.62 0.00 0.00 178.44 178.43 3m3b h LYS 62 N 0.17 0.35 -0.27 1.25 3.64 -0.97 -1.01 116.57 119.73 3m3b h LYS 62 Ca 0.16 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3m3b h LYS 62 Cb 0.18 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3m3b h LYS 62 CO -0.22 0.23 -0.14 1.57 -2.27 0.00 0.00 179.45 178.63 3m3b h LYS 63 N 0.36 0.46 -0.02 1.90 2.10 -0.35 -1.97 116.57 119.05 3m3b h LYS 63 Ca 0.14 -0.13 0.02 0.00 -2.00 0.00 0.00 60.65 58.68 3m3b h LYS 63 Cb 0.04 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.29 3m3b h LYS 63 CO -0.09 0.60 -0.11 1.25 -2.00 0.00 0.00 179.45 179.10 3m3b h HIS 64 N 0.43 -0.28 -0.98 0.07 2.76 -0.51 -1.22 115.15 115.42 3m3b h HIS 64 Ca 0.08 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 3m3b h HIS 64 Cb 0.50 0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.53 3m3b h HIS 64 CO 0.02 -0.17 0.65 0.78 -1.30 0.00 0.00 177.93 177.91 3m3b h GLY 65 N -0.18 1.40 1.00 5.26 0.00 -0.88 -1.46 103.07 108.22 3m3b h GLY 65 Ca 0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 3m3b h GLY 65 CO -0.12 0.47 0.24 -2.08 0.00 0.00 0.00 176.54 175.04 3m3b h VAL 66 N 1.29 1.23 -0.38 4.60 2.07 -0.99 -0.74 116.25 123.34 3m3b h VAL 66 Ca 0.37 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3m3b h VAL 66 Cb -0.09 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3m3b h VAL 66 CO -0.10 0.28 0.24 0.74 0.02 0.00 0.00 177.57 178.76 3m3b h THR 67 N 0.84 1.12 0.01 2.57 2.02 -0.58 0.78 112.91 119.67 3m3b h THR 67 Ca 0.20 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 3m3b h THR 67 Cb 0.21 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3m3b h THR 67 CO -0.02 0.11 -0.00 -0.33 0.37 0.00 0.00 175.52 175.65 3m3b h GLU 68 N 0.51 -0.01 -0.08 6.66 5.08 -1.17 -2.49 114.58 123.08 3m3b h GLU 68 Ca 0.14 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3m3b h GLU 68 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3m3b h GLU 68 CO -0.03 0.24 -0.28 -0.07 -1.00 0.00 0.00 179.01 177.87 3m3b h LEU 69 N -0.27 0.13 -0.40 1.33 4.07 -1.03 -1.35 115.31 117.79 3m3b h LEU 69 Ca -0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 3m3b h LEU 69 Cb 0.26 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 3m3b h LEU 69 CO 0.00 0.42 0.18 0.74 -1.08 0.00 0.00 178.44 178.70 3m3b h THR 70 N 0.12 1.19 -0.63 0.22 2.02 -0.79 0.13 112.91 115.17 3m3b h THR 70 Ca 0.02 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 3m3b h THR 70 Cb 0.57 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3m3b h THR 70 CO 0.04 0.20 0.28 0.00 0.37 0.00 0.00 175.52 176.42 3m3b h ALA 71 N 1.02 0.82 -0.38 6.16 0.00 -0.95 -1.41 119.26 124.53 3m3b h ALA 71 Ca 0.14 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3m3b h ALA 71 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3m3b h ALA 71 CO -0.01 0.41 -0.35 1.25 0.00 0.00 0.00 179.25 180.54 3m3b h LEU 72 N 0.88 0.92 -0.50 0.00 5.85 -0.96 -1.59 115.31 119.91 3m3b h LEU 72 Ca 0.21 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3m3b h LEU 72 Cb 0.16 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3m3b h LEU 72 CO -0.02 1.18 0.26 1.23 -0.34 0.00 0.00 178.44 180.74 3m3b h GLY 73 N 0.86 0.69 1.55 3.75 0.00 -0.55 0.12 103.07 109.49 3m3b h GLY 73 Ca 0.07 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3m3b h GLY 73 CO 0.09 0.12 -0.06 0.00 0.00 0.00 0.00 176.54 176.69 3m3b h ALA 74 N 1.26 1.28 -0.14 3.60 0.00 -0.83 -1.96 119.26 122.46 3m3b h ALA 74 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3m3b h ALA 74 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3m3b h ALA 74 CO -0.14 0.48 0.00 0.82 0.00 0.00 0.00 179.25 180.41 3m3b h ILE 75 N 0.52 1.25 -0.57 0.00 2.04 -0.56 -3.10 117.51 117.09 3m3b h ILE 75 Ca 0.10 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 3m3b h ILE 75 Cb 0.42 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3m3b h ILE 75 CO 0.02 0.24 0.23 -0.07 0.00 0.00 0.00 178.15 178.57 3m3b h LEU 76 N -0.01 0.75 -1.20 1.44 3.38 -0.41 -1.95 115.31 117.31 3m3b h LEU 76 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3m3b h LEU 76 Cb 0.36 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3m3b h LEU 76 CO 0.01 0.67 0.00 0.11 0.09 0.00 0.00 178.44 179.32 3m3b h LYS 77 N 0.81 0.00 0.00 1.13 1.57 -1.29 0.19 116.57 118.98 3m3b h LYS 77 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3m3b h LYS 77 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3m3b h LYS 77 CO -0.02 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.49 3m3b n LYS 78 N -2.59 0.10 -3.86 3.15 5.02 -0.73 -4.94 118.16 114.30 3m3b n LYS 78 Ca 0.01 0.22 -0.27 0.00 -2.02 0.00 0.00 58.31 56.26 3m3b n LYS 78 Cb 0.23 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 3m3b n LYS 78 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3m3b n LYS 79 N -1.84 -2.99 0.00 1.97 5.02 0.05 -2.02 118.16 118.36 3m3b n LYS 79 Ca 0.04 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 3m3b n LYS 79 Cb 0.28 -4.48 0.00 0.00 -0.02 0.00 0.00 35.03 30.81 3m3b n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m3b n GLY 80 N -1.87 3.17 2.92 0.72 0.00 -1.26 -4.95 105.19 103.92 3m3b n GLY 80 Ca -0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 3m3b n GLY 80 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3m3b n HIS 81 N -2.00 2.95 -0.93 1.61 -0.00 -0.86 -4.64 115.22 111.36 3m3b n HIS 81 Ca 0.00 -2.79 0.09 0.00 -0.00 0.00 0.00 57.72 55.01 3m3b n HIS 81 Cb 0.00 -1.84 0.18 0.00 -0.00 0.00 0.00 29.99 28.32 3m3b n HIS 81 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3m3b n HIS 82 N 3.53 0.40 -0.33 1.57 1.44 -1.26 -4.76 115.22 115.80 3m3b n HIS 82 Ca 0.37 -0.89 0.05 0.00 -2.01 0.00 0.00 57.72 55.24 3m3b n HIS 82 Cb 0.36 -0.20 0.23 0.00 0.12 0.00 0.00 29.99 30.50 3m3b n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3m3b h GLU 83 N 0.82 1.01 -0.23 -1.40 4.81 -1.99 -1.50 114.58 116.09 3m3b h GLU 83 Ca 0.00 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3m3b h GLU 83 Cb 1.13 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 3m3b h GLU 83 CO 0.09 0.67 -0.01 0.00 -0.73 0.00 0.00 179.01 179.02 3m3b h ALA 84 N 1.51 1.54 0.11 2.92 0.00 -2.00 -2.26 119.26 121.08 3m3b h ALA 84 Ca 0.43 -0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.88 3m3b h ALA 84 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3m3b h ALA 84 CO -0.19 0.33 -1.59 1.49 0.00 0.00 0.00 179.25 179.30 3m3b h GLU 85 N 0.34 0.24 -0.22 0.00 4.22 -1.78 -3.37 114.58 114.00 3m3b h GLU 85 Ca 0.08 -0.41 -0.07 0.00 0.08 0.00 0.00 59.36 59.04 3m3b h GLU 85 Cb 0.26 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3m3b h GLU 85 CO 0.01 1.09 -0.16 -0.07 -2.18 0.00 0.00 179.01 177.69 3m3b h LEU 86 N 0.06 0.37 0.08 1.64 4.07 -1.16 -3.32 115.31 117.05 3m3b h LEU 86 Ca -0.26 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.60 3m3b h LEU 86 Cb 2.02 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 43.66 3m3b h LEU 86 CO 0.15 0.56 -0.05 0.11 -1.08 0.00 0.00 178.44 178.13 3m3b h LYS 87 N 0.35 -0.12 -0.52 1.13 1.57 -1.57 0.66 116.57 118.06 3m3b h LYS 87 Ca 0.06 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3m3b h LYS 87 Cb 0.50 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 3m3b h LYS 87 CO 0.03 -0.08 0.19 -1.35 -0.57 0.00 0.00 179.45 177.67 3m3b h PRO 88 N -0.13 0.77 -0.16 3.15 0.11 -1.79 -0.33 132.00 133.61 3m3b h PRO 88 Ca -0.01 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 3m3b h PRO 88 Cb 0.11 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 3m3b h PRO 88 CO 0.00 0.65 -0.07 1.25 -0.21 0.00 0.00 178.00 179.62 3m3b h LEU 89 N 0.75 0.35 -0.61 2.35 5.85 -1.62 -2.16 115.31 120.22 3m3b h LEU 89 Ca 0.18 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.53 3m3b h LEU 89 Cb 0.18 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3m3b h LEU 89 CO -0.01 0.68 0.35 0.00 -0.34 0.00 0.00 178.44 179.11 3m3b h ALA 90 N 0.68 0.81 -0.14 1.25 0.00 -0.68 -0.83 119.26 120.34 3m3b h ALA 90 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3m3b h ALA 90 Cb 0.54 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3m3b h ALA 90 CO 0.02 0.05 -0.07 0.37 0.00 0.00 0.00 179.25 179.63 3m3b h GLN 91 N 0.68 -0.05 -0.06 0.00 4.15 -0.82 0.72 115.11 119.71 3m3b h GLN 91 Ca 0.26 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.45 3m3b h GLN 91 Cb 0.11 0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.82 3m3b h GLN 91 CO -0.14 -0.03 -0.90 0.66 -1.93 0.00 0.00 178.83 176.49 3m3b h SER 92 N -0.05 0.82 1.05 -0.69 4.64 -1.33 -1.94 113.55 116.04 3m3b h SER 92 Ca 0.08 -0.60 -0.15 0.00 -0.47 0.00 0.00 61.79 60.65 3m3b h SER 92 Cb 0.17 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 3m3b h SER 92 CO -0.17 1.39 -0.70 0.45 -0.87 0.00 0.00 176.83 176.93 3m3b h HIS 93 N 0.41 0.00 0.17 4.77 3.86 -1.03 0.11 115.15 123.44 3m3b h HIS 93 Ca -0.08 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.85 3m3b h HIS 93 Cb 1.53 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.02 3m3b h HIS 93 CO 0.08 0.70 -1.29 0.00 0.86 0.00 0.00 177.93 178.28 3m3b h ALA 94 N 1.30 0.00 0.00 2.45 0.00 0.41 0.86 119.26 124.28 3m3b h ALA 94 Ca -0.01 -0.92 -0.35 0.00 0.00 0.00 0.00 54.91 53.63 3m3b h ALA 94 Cb 1.41 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 3m3b h ALA 94 CO 0.09 0.68 -2.34 0.25 0.00 0.00 0.00 179.25 177.93 3m3b n THR 95 N -3.89 1.34 -0.12 0.00 -2.24 -0.73 -4.32 114.28 104.32 3m3b n THR 95 Ca -0.19 -0.65 -0.25 0.00 -2.27 0.00 0.00 64.05 60.68 3m3b n THR 95 Cb 0.95 -0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 68.11 3m3b n THR 95 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3m3b n LYS 96 N -2.98 0.57 0.06 -0.78 4.01 -0.09 -4.52 118.16 114.44 3m3b n LYS 96 Ca -0.37 0.36 0.13 0.00 -0.51 0.00 0.00 58.31 57.92 3m3b n LYS 96 Cb 1.02 -1.57 0.42 0.00 -0.51 0.00 0.00 35.03 34.40 3m3b n LYS 96 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 3m3b n HIS 97 N -4.33 0.56 -3.43 2.13 8.25 0.21 -4.99 115.22 113.62 3m3b n HIS 97 Ca -0.44 0.16 -0.32 0.00 -0.26 0.00 0.00 57.72 56.87 3m3b n HIS 97 Cb 0.78 -0.73 0.03 0.00 1.12 0.00 0.00 29.99 31.19 3m3b n HIS 97 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3m3b n LYS 98 N -1.98 -1.95 -3.88 -0.41 4.76 -1.09 -4.98 118.16 108.63 3m3b n LYS 98 Ca 0.06 1.47 -0.35 0.00 -2.87 0.00 0.00 58.31 56.61 3m3b n LYS 98 Cb 0.40 -2.74 -0.13 0.00 -1.84 0.00 0.00 35.03 30.72 3m3b n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3m3b s ILE 99 N -1.85 3.11 0.67 -0.18 -1.09 0.28 -5.03 121.20 117.11 3m3b s ILE 99 Ca 0.31 -1.37 -0.17 0.00 -2.23 0.00 0.00 60.65 57.19 3m3b s ILE 99 Cb -0.04 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 3m3b s ILE 99 CO 0.86 -0.14 1.26 -2.16 -1.23 0.00 0.00 174.94 173.54 3m3b s PRO 100 N 1.27 2.42 0.40 2.79 0.04 -1.26 -4.81 135.00 135.85 3m3b s PRO 100 Ca -0.04 1.97 0.09 0.00 0.04 0.00 0.00 61.00 63.06 3m3b s PRO 100 Cb -0.20 -1.84 0.87 0.00 0.04 0.00 0.00 34.50 33.37 3m3b s PRO 100 CO -0.01 -1.67 1.98 0.82 0.04 0.00 0.00 177.00 178.16 3m3b h ILE 101 N 0.29 0.98 -0.33 0.56 1.08 -1.35 0.40 117.51 119.15 3m3b h ILE 101 Ca -0.50 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 3m3b h ILE 101 Cb 1.32 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 3m3b h ILE 101 CO 0.52 0.11 0.18 0.50 -0.69 0.00 0.00 178.15 178.77 3m3b h LYS 102 N 0.59 0.45 -0.13 2.37 3.64 -1.90 0.07 116.57 121.66 3m3b h LYS 102 Ca 0.28 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.52 3m3b h LYS 102 Cb 0.34 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3m3b h LYS 102 CO -0.09 0.34 -0.38 1.88 -2.27 0.00 0.00 179.45 178.93 3m3b h TYR 103 N 0.46 0.31 -0.45 1.91 -1.99 -1.27 -1.51 116.97 114.43 3m3b h TYR 103 Ca 0.12 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 3m3b h TYR 103 Cb 0.02 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 38.66 3m3b h TYR 103 CO 0.00 0.62 0.11 -0.07 -0.00 0.00 0.00 178.16 178.82 3m3b h LEU 104 N 0.23 0.62 0.04 3.88 4.07 -0.74 -0.50 115.31 122.91 3m3b h LEU 104 Ca 0.02 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 3m3b h LEU 104 Cb 0.78 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.36 3m3b h LEU 104 CO 0.06 0.61 -0.02 -0.33 -1.08 0.00 0.00 178.44 177.69 3m3b h GLU 105 N 0.65 -0.05 -0.70 1.13 5.08 -0.60 -1.03 114.58 119.06 3m3b h GLU 105 Ca 0.15 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.65 3m3b h GLU 105 Cb 0.24 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.40 3m3b h GLU 105 CO -0.00 0.19 0.20 0.74 -1.00 0.00 0.00 179.01 179.14 3m3b h PHE 106 N -0.29 0.33 -0.83 4.33 0.04 -0.94 0.15 116.94 119.73 3m3b h PHE 106 Ca -0.01 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 3m3b h PHE 106 Cb 0.27 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.34 3m3b h PHE 106 CO 0.01 -0.02 0.41 1.49 -0.60 0.00 0.00 178.31 179.59 3m3b h GLU 107 N 0.32 1.17 -0.42 1.51 4.81 -0.91 -1.96 114.58 119.10 3m3b h GLU 107 Ca 0.39 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.35 3m3b h GLU 107 Cb 0.62 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3m3b h GLU 107 CO -0.45 0.89 -0.17 0.77 -0.73 0.00 0.00 179.01 179.33 3m3b h SER 108 N 1.17 0.81 -0.45 1.04 0.02 0.27 -0.31 113.55 116.10 3m3b h SER 108 Ca 0.29 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 3m3b h SER 108 Cb 0.09 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3m3b h SER 108 CO -0.04 0.98 0.06 -0.33 -1.14 0.00 0.00 176.83 176.35 3m3b h GLU 109 N 0.72 0.75 -0.32 3.45 5.08 -0.65 -1.06 114.58 122.55 3m3b h GLU 109 Ca 0.11 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3m3b h GLU 109 Cb 0.67 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.76 3m3b h GLU 109 CO 0.05 0.78 -0.26 0.00 -1.00 0.00 0.00 179.01 178.58 3m3b h ALA 110 N 0.94 -0.11 -0.32 3.43 0.00 -1.00 -1.13 119.26 121.06 3m3b h ALA 110 Ca 0.13 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3m3b h ALA 110 Cb 0.41 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3m3b h ALA 110 CO 0.01 -0.67 0.06 0.82 0.00 0.00 0.00 179.25 179.47 3m3b h ILE 111 N -0.24 0.85 -0.71 0.00 2.04 -0.77 0.27 117.51 118.94 3m3b h ILE 111 Ca 0.16 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 3m3b h ILE 111 Cb 0.49 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3m3b h ILE 111 CO -0.45 0.03 0.30 0.40 0.00 0.00 0.00 178.15 178.43 3m3b h ILE 112 N 0.18 1.24 -0.12 -0.67 2.04 -0.78 0.40 117.51 119.80 3m3b h ILE 112 Ca 0.15 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3m3b h ILE 112 Cb 0.16 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3m3b h ILE 112 CO -0.20 0.30 0.06 -0.74 0.00 0.00 0.00 178.15 177.57 3m3b h HIS 113 N 1.03 0.12 -0.25 1.37 2.76 -0.72 -1.31 115.15 118.15 3m3b h HIS 113 Ca 0.24 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.29 3m3b h HIS 113 Cb 0.17 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 3m3b h HIS 113 CO 0.01 0.07 -0.37 0.28 -1.30 0.00 0.00 177.93 176.63 3m3b h VAL 114 N 0.13 1.29 -0.76 5.26 2.07 -0.41 -0.98 116.25 122.86 3m3b h VAL 114 Ca 0.04 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.06 3m3b h VAL 114 Cb -0.00 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3m3b h VAL 114 CO -0.02 0.47 0.49 -0.07 0.02 0.00 0.00 177.57 178.46 3m3b h LEU 115 N 0.46 0.88 -0.21 2.57 4.07 -0.79 -0.01 115.31 122.28 3m3b h LEU 115 Ca 0.05 -0.03 -0.17 0.00 0.08 0.00 0.00 57.88 57.80 3m3b h LEU 115 Cb 0.85 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.37 3m3b h LEU 115 CO 0.07 0.65 -0.54 1.12 -1.08 0.00 0.00 178.44 178.66 3m3b h HIS 116 N 1.03 0.95 -0.47 1.13 2.07 -0.76 0.69 115.15 119.79 3m3b h HIS 116 Ca 0.28 -0.37 0.02 0.00 -2.85 0.00 0.00 60.37 57.45 3m3b h HIS 116 Cb -0.09 -0.17 -0.03 0.00 2.57 0.00 0.00 27.41 29.69 3m3b h HIS 116 CO 0.00 1.17 0.28 0.77 -3.07 0.00 0.00 177.93 177.08 3m3b h SER 117 N 0.45 0.46 0.90 3.10 0.02 -0.74 -2.88 113.55 114.86 3m3b h SER 117 Ca -0.01 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 3m3b h SER 117 Cb 1.16 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 3m3b h SER 117 CO 0.12 0.33 -1.19 0.03 -1.14 0.00 0.00 176.83 174.98 3m3b h ARG 118 N 0.57 0.00 -1.13 3.45 3.08 -1.00 -3.41 114.38 115.94 3m3b h ARG 118 Ca 0.19 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.80 3m3b h ARG 118 Cb 0.01 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.65 3m3b h ARG 118 CO -0.08 0.50 -1.02 0.72 -1.07 0.00 0.00 179.97 179.02 3m3b n HIS 119 N -3.08 1.98 -0.18 3.04 8.25 0.23 -4.96 115.22 120.50 3m3b n HIS 119 Ca -0.07 -2.84 -0.01 0.00 -0.26 0.00 0.00 57.72 54.54 3m3b n HIS 119 Cb 0.88 -0.27 0.09 0.00 1.12 0.00 0.00 29.99 31.80 3m3b n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3m3b h PRO 120 N 2.81 0.36 0.00 -0.41 0.13 -1.69 0.15 132.00 133.34 3m3b h PRO 120 Ca 0.05 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3m3b h PRO 120 Cb 1.11 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3m3b h PRO 120 CO 0.61 0.24 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 3m3b n GLY 121 N -1.28 -0.71 0.10 1.56 0.00 -1.26 -2.09 105.19 101.52 3m3b n GLY 121 Ca 0.07 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.03 3m3b n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3m3b n ASP 122 N -0.79 1.15 -3.08 1.61 9.92 0.42 -4.83 116.55 120.96 3m3b n ASP 122 Ca 0.10 -1.93 -0.16 0.00 -0.53 0.00 0.00 54.79 52.26 3m3b n ASP 122 Cb 0.04 -0.12 -0.01 0.00 -0.64 0.00 0.00 41.12 40.40 3m3b n ASP 122 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3m3b n PHE 123 N -0.46 -0.20 -1.77 1.24 7.35 -0.63 -4.81 117.46 118.18 3m3b n PHE 123 Ca 0.03 -3.48 -0.22 0.00 -0.76 0.00 0.00 57.45 53.02 3m3b n PHE 123 Cb 0.48 -0.11 0.15 0.00 0.35 0.00 0.00 39.48 40.35 3m3b n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3m3b n GLY 124 N 0.25 -1.23 0.29 7.13 0.00 -1.26 -4.63 105.19 105.75 3m3b n GLY 124 Ca 0.21 -1.73 -0.01 0.00 0.00 0.00 0.00 46.02 44.49 3m3b n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3b h ALA 125 N -1.73 0.33 0.00 4.61 0.00 -1.98 -0.46 119.26 120.03 3m3b h ALA 125 Ca -0.32 0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3m3b h ALA 125 Cb 0.89 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3m3b h ALA 125 CO 0.23 -0.49 -0.64 -0.44 0.00 0.00 0.00 179.25 177.91 3m3b h ASP 126 N -0.04 0.00 -0.22 0.00 3.45 -1.99 0.20 116.42 117.81 3m3b h ASP 126 Ca 0.32 0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.59 3m3b h ASP 126 Cb 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 3m3b h ASP 126 CO -0.73 0.64 -0.58 0.00 -1.57 0.00 0.00 179.24 177.00 3m3b h ALA 127 N 1.36 0.48 -0.16 3.45 0.00 -1.61 -2.42 119.26 120.35 3m3b h ALA 127 Ca -0.01 -0.53 0.05 0.00 0.00 0.00 0.00 54.91 54.42 3m3b h ALA 127 Cb 1.19 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3m3b h ALA 127 CO 0.08 0.68 -0.16 1.96 0.00 0.00 0.00 179.25 181.82 3m3b h GLN 128 N 0.62 -0.17 -0.76 0.00 4.20 -0.94 0.02 115.11 118.08 3m3b h GLN 128 Ca 0.00 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.78 3m3b h GLN 128 Cb 1.18 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.95 3m3b h GLN 128 CO 0.13 -0.12 0.46 0.78 -0.67 0.00 0.00 178.83 179.41 3m3b h GLY 129 N -0.18 1.14 0.91 3.46 0.00 -0.93 -0.01 103.07 107.47 3m3b h GLY 129 Ca 0.11 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 3m3b h GLY 129 CO -0.27 0.22 -0.22 0.00 0.00 0.00 0.00 176.54 176.27 3m3b h ALA 130 N 1.37 0.39 -0.48 3.60 0.00 -1.10 0.03 119.26 123.07 3m3b h ALA 130 Ca 0.33 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3m3b h ALA 130 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3m3b h ALA 130 CO -0.17 0.34 -0.14 1.98 0.00 0.00 0.00 179.25 181.26 3m3b h MET 131 N 0.34 0.90 -0.80 0.00 -1.53 -0.79 0.28 114.93 113.33 3m3b h MET 131 Ca 0.05 -0.33 -0.02 0.00 -3.44 0.00 0.00 59.70 55.95 3m3b h MET 131 Cb 0.77 -0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 31.72 3m3b h MET 131 CO 0.06 0.98 0.41 -0.97 0.14 0.00 0.00 176.91 177.53 3m3b h ASN 132 N 0.80 1.01 -0.59 1.39 -0.73 -0.77 0.10 115.58 116.80 3m3b h ASN 132 Ca 0.12 -0.10 -0.10 0.00 1.87 0.00 0.00 56.30 58.09 3m3b h ASN 132 Cb 0.67 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.98 3m3b h ASN 132 CO 0.05 0.83 -0.03 0.11 -0.37 0.00 0.00 177.43 178.03 3m3b h LYS 133 N 1.13 1.05 -0.12 6.67 1.57 -0.16 0.36 116.57 127.07 3m3b h LYS 133 Ca 0.28 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3m3b h LYS 133 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3m3b h LYS 133 CO -0.04 1.05 0.06 0.00 -0.57 0.00 0.00 179.45 179.94 3m3b h ALA 134 N 0.97 0.15 -0.14 3.86 0.00 0.09 -1.06 119.26 123.14 3m3b h ALA 134 Ca 0.16 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3m3b h ALA 134 Cb 0.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3m3b h ALA 134 CO 0.04 -0.29 -0.39 -0.07 0.00 0.00 0.00 179.25 178.53 3m3b h LEU 135 N 0.07 0.31 -0.86 0.00 3.38 -0.58 -1.55 115.31 116.09 3m3b h LEU 135 Ca 0.04 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3m3b h LEU 135 Cb 0.11 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3m3b h LEU 135 CO -0.01 0.68 0.23 -0.08 0.09 0.00 0.00 178.44 179.36 3m3b h GLU 136 N 0.25 1.07 -0.65 1.13 4.81 -0.07 -0.99 114.58 120.12 3m3b h GLU 136 Ca 0.02 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 3m3b h GLU 136 Cb 0.81 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 3m3b h GLU 136 CO 0.06 0.90 0.14 1.25 -0.73 0.00 0.00 179.01 180.64 3m3b h LEU 137 N 1.03 1.01 -0.77 1.64 5.85 -0.85 -0.97 115.31 122.25 3m3b h LEU 137 Ca 0.23 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3m3b h LEU 137 Cb 0.27 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3m3b h LEU 137 CO -0.01 0.99 0.45 0.15 -0.34 0.00 0.00 178.44 179.68 3m3b h PHE 138 N 0.98 1.04 -0.49 1.25 3.57 -0.84 -1.32 116.94 121.12 3m3b h PHE 138 Ca 0.20 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 3m3b h PHE 138 Cb 0.39 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3m3b h PHE 138 CO 0.03 0.71 -0.13 0.00 -2.23 0.00 0.00 178.31 176.69 3m3b h ARG 139 N 1.06 0.93 0.49 1.11 3.08 -0.76 0.13 114.38 120.42 3m3b h ARG 139 Ca 0.28 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3m3b h ARG 139 Cb -0.01 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3m3b h ARG 139 CO -0.05 1.00 -0.24 0.87 -1.07 0.00 0.00 179.97 180.48 3m3b h LYS 140 N 0.83 -0.63 -0.48 0.04 1.57 -0.91 0.27 116.57 117.25 3m3b h LYS 140 Ca 0.13 0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3m3b h LYS 140 Cb 0.67 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 3m3b h LYS 140 CO 0.05 -0.40 0.08 -0.44 -0.57 0.00 0.00 179.45 178.17 3m3b h ASP 141 N -0.70 0.70 1.34 0.86 3.45 -1.16 -1.57 116.42 119.33 3m3b h ASP 141 Ca -0.07 -0.13 -0.12 0.00 0.43 0.00 0.00 57.03 57.14 3m3b h ASP 141 Cb 0.53 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.10 3m3b h ASP 141 CO 0.11 0.72 -0.56 -0.29 -1.57 0.00 0.00 179.24 177.65 3m3b h ILE 142 N 0.72 0.99 -0.69 0.35 2.10 -0.63 -2.67 117.51 117.68 3m3b h ILE 142 Ca 0.16 -2.30 -0.04 0.00 1.08 0.00 0.00 64.86 63.75 3m3b h ILE 142 Cb 0.32 2.42 -0.03 0.00 -1.09 0.00 0.00 36.82 38.44 3m3b h ILE 142 CO 0.00 0.55 0.28 0.00 -1.08 0.00 0.00 178.15 177.90 3m3b h ALA 143 N 1.44 1.18 -0.43 0.18 0.00 -0.28 -0.25 119.26 121.11 3m3b h ALA 143 Ca -0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3m3b h ALA 143 Cb 1.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3m3b h ALA 143 CO 0.07 0.59 -0.20 0.00 0.00 0.00 0.00 179.25 179.71 3m3b h ALA 144 N 1.30 0.60 -0.86 0.00 0.00 -1.14 -1.86 119.26 117.30 3m3b h ALA 144 Ca 0.23 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3m3b h ALA 144 Cb 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3m3b h ALA 144 CO -0.02 0.57 0.57 0.87 0.00 0.00 0.00 179.25 181.24 3m3b h LYS 145 N 0.72 1.13 -0.35 0.00 1.79 -1.32 -1.90 116.57 116.64 3m3b h LYS 145 Ca 0.10 -0.07 0.07 0.00 -2.18 0.00 0.00 60.65 58.57 3m3b h LYS 145 Cb 0.77 -0.25 -0.06 0.00 -1.58 0.00 0.00 32.23 31.10 3m3b h LYS 145 CO 0.06 0.75 -0.05 1.88 -1.08 0.00 0.00 179.45 181.01 3m3b h TYR 146 N 1.16 -0.12 -0.52 -1.35 -1.99 -0.50 -2.19 116.97 111.46 3m3b h TYR 146 Ca 0.32 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 61.00 3m3b h TYR 146 Cb -0.12 0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 3m3b h TYR 146 CO -0.01 -0.12 0.00 0.87 -0.00 0.00 0.00 178.16 178.90 3m3b h LYS 147 N 0.04 0.87 -0.74 4.88 1.57 -1.01 -2.23 116.57 119.95 3m3b h LYS 147 Ca 0.17 -0.25 0.18 0.00 -1.87 0.00 0.00 60.65 58.88 3m3b h LYS 147 Cb 0.25 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3m3b h LYS 147 CO -0.33 0.87 0.51 0.93 -0.57 0.00 0.00 179.45 180.86 3m3b h GLU 148 N 0.81 0.22 -0.01 3.15 5.08 -0.82 0.19 114.58 123.21 3m3b h GLU 148 Ca 0.15 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3m3b h GLU 148 Cb 0.48 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3m3b h GLU 148 CO 0.02 0.15 -0.05 1.28 -1.00 0.00 0.00 179.01 179.41 3m3b n LEU 149 N -4.42 1.01 0.00 1.33 4.77 -0.87 -5.03 117.00 113.79 3m3b n LEU 149 Ca 0.15 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3m3b n LEU 149 Cb 0.65 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3m3b n LEU 149 CO 0.35 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3m3b n GLY 150 N 1.18 1.96 1.33 -0.72 0.00 0.68 -5.05 105.19 104.57 3m3b n GLY 150 Ca 0.18 -1.78 0.17 0.00 0.00 0.00 0.00 46.02 44.59 3m3b n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m3b n TYR 151 N 1.81 -3.51 -3.39 1.61 4.01 -1.26 -4.50 117.16 111.93 3m3b n TYR 151 Ca 0.00 1.88 -0.20 0.00 -0.16 0.00 0.00 57.90 59.42 3m3b n TYR 151 Cb 0.00 -3.19 -0.00 0.00 -0.31 0.00 0.00 39.34 35.84 3m3b n TYR 151 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3m3b s GLN 152 N -3.59 3.13 0.00 -0.72 -1.52 -1.26 -3.86 119.66 111.84 3m3b s GLN 152 Ca 0.00 -0.88 0.00 0.00 -1.95 0.00 0.00 55.36 52.53 3m3b s GLN 152 Cb 0.00 -2.77 0.00 0.00 -0.22 0.00 0.00 33.01 30.02 3m3b s GLN 152 CO 0.00 0.01 0.34 0.41 -0.25 0.00 0.00 175.29 175.81