#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a2g s VAL 1 N 0.00 -0.06 0.44 3.17 1.01 -1.26 -5.05 120.40 118.65 3a2g s VAL 1 Ca 0.00 0.28 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 3a2g s VAL 1 Cb 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 36.38 36.16 3a2g s VAL 1 CO 0.00 0.12 0.97 -0.76 0.00 0.00 0.00 175.10 175.43 3a2g s LEU 2 N 1.43 3.92 0.67 3.92 1.02 -1.26 -5.06 118.68 123.33 3a2g s LEU 2 Ca -0.04 1.73 -0.11 0.00 0.02 0.00 0.00 54.13 55.73 3a2g s LEU 2 Cb -0.13 -4.54 -0.01 0.00 0.02 0.00 0.00 46.19 41.53 3a2g s LEU 2 CO -0.03 -0.44 1.07 -0.94 0.02 0.00 0.00 176.35 176.03 3a2g s SER 3 N -2.15 5.75 0.25 2.29 1.04 -1.26 -4.90 113.70 114.72 3a2g s SER 3 Ca 0.63 1.27 -0.04 0.00 0.48 0.00 0.00 55.95 58.29 3a2g s SER 3 Cb -0.10 -2.17 0.36 0.00 0.10 0.00 0.00 66.02 64.21 3a2g s SER 3 CO 0.14 -1.16 1.86 -0.08 0.98 0.00 0.00 173.24 174.98 3a2g h GLU 4 N -0.53 0.99 -0.82 4.02 4.57 -1.99 -1.22 114.58 119.60 3a2g h GLU 4 Ca -0.45 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 57.76 3a2g h GLU 4 Cb 1.23 -0.22 -0.07 0.00 -0.16 0.00 0.00 28.75 29.53 3a2g h GLU 4 CO 0.63 0.65 0.48 0.78 -1.18 0.00 0.00 179.01 180.37 3a2g h GLY 5 N 1.02 1.26 0.81 1.92 0.00 -1.99 0.08 103.07 106.17 3a2g h GLY 5 Ca 0.40 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3a2g h GLY 5 CO -0.18 0.17 0.02 0.83 0.00 0.00 0.00 176.54 177.38 3a2g h GLU 6 N 0.84 0.29 -0.99 4.80 5.08 -1.78 -2.50 114.58 120.31 3a2g h GLU 6 Ca 0.38 -0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.75 3a2g h GLU 6 Cb 0.29 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 3a2g h GLU 6 CO -0.22 0.48 0.63 -1.49 -1.00 0.00 0.00 179.01 177.41 3a2g h TRP 7 N 0.06 1.15 -0.47 4.33 4.06 -0.77 -1.63 115.95 122.69 3a2g h TRP 7 Ca 0.05 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.97 3a2g h TRP 7 Cb 0.34 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 28.10 3a2g h TRP 7 CO 0.02 0.52 0.05 1.96 -3.56 0.00 0.00 178.44 177.43 3a2g h GLN 8 N 1.06 0.74 -0.49 0.49 1.08 -0.74 0.81 115.11 118.06 3a2g h GLN 8 Ca 0.46 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 57.41 3a2g h GLN 8 Cb 0.36 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 3a2g h GLN 8 CO -0.22 0.72 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.30 3a2g h LEU 9 N 0.71 0.80 -0.12 1.46 3.38 -0.94 0.10 115.31 120.69 3a2g h LEU 9 Ca 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3a2g h LEU 9 Cb 0.37 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3a2g h LEU 9 CO 0.01 0.87 0.05 0.58 0.09 0.00 0.00 178.44 180.04 3a2g h VAL 10 N 0.77 1.16 0.00 1.22 2.07 -0.61 -2.81 116.25 118.05 3a2g h VAL 10 Ca 0.15 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 3a2g h VAL 10 Cb 0.48 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3a2g h VAL 10 CO 0.02 0.14 -0.44 -0.07 0.02 0.00 0.00 177.57 177.24 3a2g h LEU 11 N 0.04 0.00 -0.43 2.57 3.38 -0.71 -1.84 115.31 118.32 3a2g h LEU 11 Ca 0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 3a2g h LEU 11 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3a2g h LEU 11 CO -0.00 0.44 -0.56 0.45 0.09 0.00 0.00 178.44 178.86 3a2g h HIS 12 N 0.00 0.84 -0.06 1.13 3.86 -0.93 -0.42 115.15 119.57 3a2g h HIS 12 Ca -0.00 -0.30 -0.19 0.00 -1.16 0.00 0.00 60.37 58.71 3a2g h HIS 12 Cb 1.00 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 29.31 3a2g h HIS 12 CO 0.00 1.07 -0.77 -0.24 0.86 0.00 0.00 177.93 178.85 3a2g h VAL 13 N 0.51 1.40 -0.51 2.45 3.04 -1.38 -3.17 116.25 118.59 3a2g h VAL 13 Ca 0.01 -2.23 -0.01 0.00 -1.01 0.00 0.00 66.70 63.46 3a2g h VAL 13 Cb 1.13 2.19 -0.03 0.00 -2.01 0.00 0.00 31.29 32.58 3a2g h VAL 13 CO 0.11 0.67 0.28 -0.25 -1.01 0.00 0.00 177.57 177.37 3a2g h TRP 14 N 0.24 0.67 -0.81 3.17 2.91 -1.12 -0.95 115.95 120.07 3a2g h TRP 14 Ca -0.04 -0.00 0.16 0.00 1.13 0.00 0.00 58.89 60.14 3a2g h TRP 14 Cb 1.36 -0.22 -0.06 0.00 -0.51 0.00 0.00 29.16 29.73 3a2g h TRP 14 CO 0.04 0.47 0.54 0.00 -1.03 0.00 0.00 178.44 178.46 3a2g h ALA 15 N 1.61 2.08 0.07 2.65 0.00 -1.05 -0.66 119.26 123.97 3a2g h ALA 15 Ca 0.18 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 3a2g h ALA 15 Cb 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.77 3a2g h ALA 15 CO -0.03 -0.31 -0.88 0.87 0.00 0.00 0.00 179.25 178.89 3a2g h LYS 16 N 0.46 0.48 -0.89 0.00 1.79 -1.26 -3.13 116.57 114.02 3a2g h LYS 16 Ca 0.41 -0.61 0.22 0.00 -2.18 0.00 0.00 60.65 58.50 3a2g h LYS 16 Cb 0.90 0.19 -0.13 0.00 -1.58 0.00 0.00 32.23 31.62 3a2g h LYS 16 CO -0.15 1.24 0.38 0.28 -1.08 0.00 0.00 179.45 180.12 3a2g h VAL 17 N -0.01 0.45 0.00 0.50 2.07 -0.87 -1.54 116.25 116.85 3a2g h VAL 17 Ca -0.13 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3a2g h VAL 17 Cb 1.61 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3a2g h VAL 17 CO 0.17 0.07 0.00 -0.62 0.02 0.00 0.00 177.57 177.21 3a2g n GLU 18 N -5.07 0.16 0.24 1.57 1.02 -0.31 -1.68 120.64 116.57 3a2g n GLU 18 Ca 0.22 0.16 0.09 0.00 -0.02 0.00 0.00 57.16 57.61 3a2g n GLU 18 Cb 0.66 -1.50 0.60 0.00 -0.02 0.00 0.00 31.44 31.18 3a2g n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a2g h ALA 19 N 2.73 1.40 -0.32 0.62 0.00 -1.30 -3.38 119.26 119.01 3a2g h ALA 19 Ca 0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 3a2g h ALA 19 Cb 0.21 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.82 3a2g h ALA 19 CO 0.00 0.23 -0.42 -3.47 0.00 0.00 0.00 179.25 175.59 3a2g n ASP 20 N -3.89 -2.81 0.03 0.00 2.03 -0.68 -5.02 116.55 106.21 3a2g n ASP 20 Ca -0.02 -2.87 0.01 0.00 0.52 0.00 0.00 54.79 52.43 3a2g n ASP 20 Cb 0.27 1.62 0.34 0.00 -0.72 0.00 0.00 41.12 42.63 3a2g n ASP 20 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 3a2g h VAL 21 N 3.40 1.18 -0.18 5.18 3.04 -1.64 -2.57 116.25 124.66 3a2g h VAL 21 Ca -0.09 -0.67 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 3a2g h VAL 21 Cb 1.08 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.28 3a2g h VAL 21 CO 0.15 0.23 0.12 0.00 -1.01 0.00 0.00 177.57 177.05 3a2g h ALA 22 N 1.58 0.23 -0.54 3.17 0.00 -1.91 0.47 119.26 122.25 3a2g h ALA 22 Ca 0.10 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3a2g h ALA 22 Cb 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3a2g h ALA 22 CO 0.01 -0.29 0.32 0.78 0.00 0.00 0.00 179.25 180.07 3a2g h GLY 23 N 0.23 0.76 1.45 0.00 0.00 -1.88 -1.67 103.07 101.98 3a2g h GLY 23 Ca 0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 3a2g h GLY 23 CO -0.01 0.21 -0.28 0.45 0.00 0.00 0.00 176.54 176.91 3a2g h HIS 24 N 0.64 0.71 -0.55 5.60 3.86 -1.10 -2.34 115.15 121.98 3a2g h HIS 24 Ca 0.22 -0.17 -0.11 0.00 -1.16 0.00 0.00 60.37 59.14 3a2g h HIS 24 Cb 0.02 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 3a2g h HIS 24 CO -0.06 0.84 -0.10 0.78 0.86 0.00 0.00 177.93 180.25 3a2g h GLY 25 N 1.00 1.13 0.99 2.45 0.00 -0.61 -1.16 103.07 106.87 3a2g h GLY 25 Ca 0.07 -0.91 -0.00 0.00 0.00 0.00 0.00 47.33 46.49 3a2g h GLY 25 CO 0.06 0.83 -0.02 1.46 0.00 0.00 0.00 176.54 178.86 3a2g h GLN 26 N 0.92 -0.07 -0.53 4.80 4.20 -1.15 -1.19 115.11 122.11 3a2g h GLN 26 Ca 0.14 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.93 3a2g h GLN 26 Cb 0.67 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.40 3a2g h GLN 26 CO 0.05 -0.03 0.20 -0.44 -0.67 0.00 0.00 178.83 177.93 3a2g h ASP 27 N -0.08 0.20 -0.18 1.46 5.19 -1.28 -0.50 116.42 121.23 3a2g h ASP 27 Ca -0.01 0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 3a2g h ASP 27 Cb 0.07 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 3a2g h ASP 27 CO 0.01 0.14 -0.04 0.40 -3.12 0.00 0.00 179.24 176.64 3a2g h ILE 28 N 0.38 1.28 -0.43 0.35 2.04 -1.05 -0.44 117.51 119.64 3a2g h ILE 28 Ca 0.25 -0.99 -0.12 0.00 1.00 0.00 0.00 64.86 65.01 3a2g h ILE 28 Cb 0.27 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3a2g h ILE 28 CO -0.25 0.29 -0.21 -0.07 0.00 0.00 0.00 178.15 177.91 3a2g h LEU 29 N 0.05 0.86 -0.64 1.44 3.38 -1.09 -0.52 115.31 118.80 3a2g h LEU 29 Ca 0.05 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 3a2g h LEU 29 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3a2g h LEU 29 CO 0.02 1.05 0.10 0.40 0.09 0.00 0.00 178.44 180.09 3a2g h ILE 30 N 0.74 1.26 -0.64 1.22 2.04 -1.06 -0.60 117.51 120.47 3a2g h ILE 30 Ca 0.10 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 3a2g h ILE 30 Cb 0.74 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3a2g h ILE 30 CO 0.06 0.38 0.19 -0.09 0.00 0.00 0.00 178.15 178.70 3a2g h ARG 31 N 0.98 0.99 0.05 2.37 9.65 -0.76 -0.24 114.38 127.42 3a2g h ARG 31 Ca 0.19 -0.22 0.01 0.00 -1.10 0.00 0.00 59.98 58.87 3a2g h ARG 31 Cb 0.44 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 3a2g h ARG 31 CO 0.01 0.87 -0.12 1.25 2.80 0.00 0.00 179.97 184.79 3a2g h LEU 32 N 0.92 -0.32 -1.19 3.80 5.85 -0.74 -0.40 115.31 123.23 3a2g h LEU 32 Ca 0.20 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 3a2g h LEU 32 Cb 0.30 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3a2g h LEU 32 CO -0.01 -0.17 -0.16 -0.26 -0.34 0.00 0.00 178.44 177.50 3a2g h PHE 33 N -0.22 0.39 0.06 1.25 0.04 -0.83 -0.43 116.94 117.20 3a2g h PHE 33 Ca 0.03 -0.06 -0.25 0.00 2.80 0.00 0.00 57.97 60.48 3a2g h PHE 33 Cb 0.25 -0.11 0.02 0.00 2.20 0.00 0.00 35.95 38.31 3a2g h PHE 33 CO -0.15 0.52 -1.02 0.87 -0.60 0.00 0.00 178.31 177.93 3a2g h LYS 34 N 0.34 0.58 -0.00 1.51 1.57 -0.91 -2.97 116.57 116.69 3a2g h LYS 34 Ca 0.06 -0.71 -0.18 0.00 -1.87 0.00 0.00 60.65 57.96 3a2g h LYS 34 Cb 0.49 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 3a2g h LYS 34 CO 0.03 1.30 -0.82 0.77 -0.57 0.00 0.00 179.45 180.16 3a2g h SER 35 N 0.18 0.09 -2.10 0.86 0.02 -0.95 -3.38 113.55 108.27 3a2g h SER 35 Ca -0.15 -0.07 -0.55 0.00 -0.84 0.00 0.00 61.79 60.19 3a2g h SER 35 Cb 1.71 -0.03 -0.37 0.00 0.14 0.00 0.00 62.40 63.86 3a2g h SER 35 CO 0.20 0.86 -0.99 1.41 -1.14 0.00 0.00 176.83 177.17 3a2g n HIS 36 N -3.62 -0.93 -0.10 3.45 8.25 -0.18 -5.00 115.22 117.08 3a2g n HIS 36 Ca -0.02 -3.27 0.25 0.00 -0.26 0.00 0.00 57.72 54.42 3a2g n HIS 36 Cb 0.78 0.13 0.70 0.00 1.12 0.00 0.00 29.99 32.72 3a2g n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3a2g h PRO 37 N 4.94 0.02 -0.16 -0.41 0.11 -1.71 -0.44 132.00 134.34 3a2g h PRO 37 Ca 0.17 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.33 3a2g h PRO 37 Cb 0.91 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 3a2g h PRO 37 CO 0.39 0.01 0.12 1.05 -0.21 0.00 0.00 178.00 179.36 3a2g h GLU 38 N 0.02 0.00 -0.12 1.05 9.09 -1.92 -1.74 114.58 120.95 3a2g h GLU 38 Ca 0.35 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.71 3a2g h GLU 38 Cb 1.39 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.48 3a2g h GLU 38 CO -0.01 0.00 -0.16 1.79 0.05 0.00 0.00 179.01 180.68 3a2g h THR 39 N 0.00 1.18 -0.08 -1.06 1.35 -1.40 -2.39 112.91 110.51 3a2g h THR 39 Ca 0.08 -0.81 -0.05 0.00 -0.55 0.00 0.00 66.41 65.08 3a2g h THR 39 Cb 0.32 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 3a2g h THR 39 CO -0.00 0.25 -0.17 0.25 -0.25 0.00 0.00 175.52 175.60 3a2g h LEU 40 N 0.18 0.11 -2.12 3.87 5.85 -1.48 -2.38 115.31 119.34 3a2g h LEU 40 Ca 0.04 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3a2g h LEU 40 Cb 0.40 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3a2g h LEU 40 CO 0.02 0.30 0.00 -0.33 -0.34 0.00 0.00 178.44 178.09 3a2g h GLU 41 N 0.11 0.00 0.00 1.25 4.39 -1.52 -0.78 114.58 118.03 3a2g h GLU 41 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3a2g h GLU 41 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3a2g h GLU 41 CO 0.02 0.00 0.00 0.87 -1.16 0.00 0.00 179.01 178.74 3a2g h LYS 42 N 0.00 0.00 -4.12 2.33 1.79 -1.54 -3.40 116.57 111.62 3a2g h LYS 42 Ca 0.00 0.00 -0.76 0.00 -2.18 0.00 0.00 60.65 57.71 3a2g h LYS 42 Cb 0.18 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 30.59 3a2g h LYS 42 CO 0.00 0.00 0.08 -0.06 -1.08 0.00 0.00 179.45 178.39 3a2g s PHE 43 N -3.34 3.46 0.52 -1.35 0.40 -0.30 -4.88 117.98 112.50 3a2g s PHE 43 Ca 0.06 -1.61 0.20 0.00 -0.60 0.00 0.00 56.93 54.97 3a2g s PHE 43 Cb 0.08 -3.88 1.32 0.00 0.51 0.00 0.00 43.02 41.05 3a2g s PHE 43 CO 0.59 -1.08 2.09 -0.44 0.70 0.00 0.00 175.22 177.08 3a2g h ASP 44 N 8.37 0.00 0.04 1.36 5.19 -1.82 0.12 116.42 129.68 3a2g h ASP 44 Ca -0.06 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 3a2g h ASP 44 Cb 1.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 3a2g h ASP 44 CO 0.91 0.00 -0.13 -0.09 -3.12 0.00 0.00 179.24 176.81 3a2g h ARG 45 N 0.00 0.20 0.00 3.56 2.43 -1.94 -3.36 114.38 115.27 3a2g h ARG 45 Ca 0.10 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3a2g h ARG 45 Cb 0.39 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3a2g h ARG 45 CO -0.00 0.33 0.00 1.19 -1.51 0.00 0.00 179.97 179.98 3a2g n PHE 46 N -4.29 0.00 0.37 2.20 3.72 -0.46 -4.80 117.46 114.19 3a2g n PHE 46 Ca -0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.46 3a2g n PHE 46 Cb 0.26 0.00 0.32 0.00 -0.94 0.00 0.00 39.48 39.11 3a2g n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 3a2g n LYS 47 N -0.61 0.05 0.18 -1.08 2.85 0.29 -1.29 118.16 118.56 3a2g n LYS 47 Ca 0.00 0.36 0.14 0.00 -1.05 0.00 0.00 58.31 57.75 3a2g n LYS 47 Cb 0.01 -1.61 0.43 0.00 -0.65 0.00 0.00 35.03 33.21 3a2g n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 3a2g h HIS 48 N 0.00 0.00 -2.81 5.58 2.07 -1.85 -3.45 115.15 114.69 3a2g h HIS 48 Ca 0.00 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 56.98 3a2g h HIS 48 Cb 0.22 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.20 3a2g h HIS 48 CO 0.00 0.00 0.91 -0.51 -3.07 0.00 0.00 177.93 175.26 3a2g s LEU 49 N -5.37 4.33 -0.11 6.12 1.43 -0.41 -4.90 118.68 119.77 3a2g s LEU 49 Ca 0.06 2.26 0.18 0.00 -1.03 0.00 0.00 54.13 55.60 3a2g s LEU 49 Cb 0.09 -3.56 -0.24 0.00 0.03 0.00 0.00 46.19 42.50 3a2g s LEU 49 CO 0.56 -0.80 0.34 0.29 0.23 0.00 0.00 176.35 176.97 3a2g n LYS 50 N 5.56 0.67 -4.11 1.70 5.02 -1.26 -5.00 118.16 120.73 3a2g n LYS 50 Ca 0.14 0.04 -0.08 0.00 -2.02 0.00 0.00 58.31 56.39 3a2g n LYS 50 Cb 0.42 -1.60 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 3a2g n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3a2g s THR 51 N -2.75 0.29 0.29 -0.18 -4.23 -1.26 -5.04 115.64 102.75 3a2g s THR 51 Ca -0.08 -1.85 -0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3a2g s THR 51 Cb 0.08 -1.63 0.28 0.00 1.34 0.00 0.00 72.50 72.57 3a2g s THR 51 CO 0.84 -0.89 1.90 -0.08 -0.54 0.00 0.00 174.62 175.84 3a2g h GLU 52 N 3.07 1.05 -0.69 3.99 4.81 -1.99 -1.50 114.58 123.33 3a2g h GLU 52 Ca -0.34 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 58.88 3a2g h GLU 52 Cb 1.15 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 3a2g h GLU 52 CO 0.65 0.70 0.39 0.00 -0.73 0.00 0.00 179.01 180.01 3a2g h ALA 53 N 1.49 0.93 -0.60 2.92 0.00 -1.99 0.12 119.26 122.13 3a2g h ALA 53 Ca 0.41 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 3a2g h ALA 53 Cb 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3a2g h ALA 53 CO -0.16 0.07 -0.02 0.93 0.00 0.00 0.00 179.25 180.07 3a2g h GLU 54 N 0.72 1.07 -0.41 0.00 5.08 -1.81 -2.04 114.58 117.19 3a2g h GLU 54 Ca 0.31 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3a2g h GLU 54 Cb 0.19 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3a2g h GLU 54 CO -0.18 1.05 0.17 0.52 -1.00 0.00 0.00 179.01 179.57 3a2g h MET 55 N 0.97 0.61 -0.15 2.33 2.86 -0.66 -2.41 114.93 118.47 3a2g h MET 55 Ca 0.17 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3a2g h MET 55 Cb 0.58 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 3a2g h MET 55 CO 0.03 0.57 -0.05 0.87 1.06 0.00 0.00 176.91 179.39 3a2g h LYS 56 N 0.52 0.23 -0.00 1.72 1.57 -0.61 -2.57 116.57 117.43 3a2g h LYS 56 Ca 0.14 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3a2g h LYS 56 Cb 0.18 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3a2g h LYS 56 CO -0.01 0.30 -0.24 0.00 -0.57 0.00 0.00 179.45 178.92 3a2g n ALA 57 N -2.50 2.93 -2.59 3.86 0.00 -0.78 -4.81 120.51 116.62 3a2g n ALA 57 Ca -0.01 -0.23 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 3a2g n ALA 57 Cb 0.21 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 3a2g n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3a2g s SER 58 N -2.97 6.50 0.31 0.00 0.15 -0.93 -4.88 113.70 111.87 3a2g s SER 58 Ca 0.13 0.18 -0.01 0.00 0.70 0.00 0.00 55.95 56.95 3a2g s SER 58 Cb 0.18 -2.54 0.48 0.00 -1.71 0.00 0.00 66.02 62.44 3a2g s SER 58 CO 0.61 -1.38 1.93 -0.33 1.20 0.00 0.00 173.24 175.27 3a2g h GLU 59 N 9.42 0.93 -0.59 5.44 4.39 -1.88 -1.99 114.58 130.30 3a2g h GLU 59 Ca -0.24 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.31 3a2g h GLU 59 Cb 1.06 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 3a2g h GLU 59 CO 1.16 0.68 0.18 0.22 -1.16 0.00 0.00 179.01 180.08 3a2g h ASP 60 N 0.94 0.86 -0.74 1.42 3.58 -1.97 -0.43 116.42 120.09 3a2g h ASP 60 Ca 0.24 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 3a2g h ASP 60 Cb 0.02 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 3a2g h ASP 60 CO -0.04 0.85 0.30 0.25 -2.88 0.00 0.00 179.24 177.72 3a2g h LEU 61 N 0.84 1.01 -0.41 2.28 5.85 -1.82 -1.71 115.31 121.35 3a2g h LEU 61 Ca 0.19 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3a2g h LEU 61 Cb 0.30 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3a2g h LEU 61 CO -0.00 0.90 0.27 0.50 -0.34 0.00 0.00 178.44 179.76 3a2g h LYS 62 N 1.06 0.53 -0.61 1.25 3.64 -0.97 -0.49 116.57 120.97 3a2g h LYS 62 Ca 0.25 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 3a2g h LYS 62 Cb 0.20 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 3a2g h LYS 62 CO -0.02 0.35 0.24 0.87 -2.27 0.00 0.00 179.45 178.61 3a2g h LYS 63 N 0.54 0.41 -0.49 1.90 1.57 -0.84 -1.83 116.57 117.82 3a2g h LYS 63 Ca 0.15 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 3a2g h LYS 63 Cb -0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3a2g h LYS 63 CO -0.04 0.27 -0.15 1.25 -0.57 0.00 0.00 179.45 180.20 3a2g h HIS 64 N 0.42 1.07 -0.94 -1.35 -0.00 -0.84 -2.02 115.15 111.49 3a2g h HIS 64 Ca 0.31 -0.23 0.03 0.00 -0.00 0.00 0.00 60.37 60.48 3a2g h HIS 64 Cb 0.37 -0.26 -0.05 0.00 -0.00 0.00 0.00 27.41 27.47 3a2g h HIS 64 CO -0.16 1.02 0.62 0.78 -0.00 0.00 0.00 177.93 180.19 3a2g h GLY 65 N 0.93 1.36 0.94 5.26 0.00 -0.56 0.58 103.07 111.59 3a2g h GLY 65 Ca 0.12 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 3a2g h GLY 65 CO 0.05 0.41 0.09 -2.08 0.00 0.00 0.00 176.54 175.01 3a2g h VAL 66 N 1.19 1.23 -0.31 4.60 2.07 -1.00 -0.70 116.25 123.34 3a2g h VAL 66 Ca 0.37 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 67.10 3a2g h VAL 66 Cb -0.00 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3a2g h VAL 66 CO -0.11 0.29 0.11 0.74 0.02 0.00 0.00 177.57 178.62 3a2g h THR 67 N 0.53 0.92 0.42 2.57 2.02 -0.62 -0.61 112.91 118.13 3a2g h THR 67 Ca 0.13 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 3a2g h THR 67 Cb 0.33 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3a2g h THR 67 CO 0.00 0.05 -0.20 0.58 0.37 0.00 0.00 175.52 176.32 3a2g h VAL 68 N 0.25 0.59 -0.13 3.16 2.07 -0.75 -1.66 116.25 119.79 3a2g h VAL 68 Ca 0.14 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 3a2g h VAL 68 Cb 0.11 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3a2g h VAL 68 CO -0.14 0.03 -0.22 -0.07 0.02 0.00 0.00 177.57 177.19 3a2g h LEU 69 N -0.65 0.21 -0.38 2.57 3.38 -1.09 -0.79 115.31 118.57 3a2g h LEU 69 Ca -0.06 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3a2g h LEU 69 Cb 0.48 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3a2g h LEU 69 CO 0.09 0.44 -0.19 0.74 0.09 0.00 0.00 178.44 179.62 3a2g h THR 70 N 0.20 1.28 -0.46 0.22 2.02 -1.03 0.31 112.91 115.45 3a2g h THR 70 Ca 0.03 -1.32 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 3a2g h THR 70 Cb 0.50 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 3a2g h THR 70 CO 0.03 0.44 0.24 0.00 0.37 0.00 0.00 175.52 176.61 3a2g h ALA 71 N 0.80 0.59 -0.47 6.16 0.00 -0.99 -0.98 119.26 124.37 3a2g h ALA 71 Ca 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3a2g h ALA 71 Cb 0.74 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3a2g h ALA 71 CO 0.06 0.12 0.11 1.25 0.00 0.00 0.00 179.25 180.78 3a2g h LEU 72 N 0.60 0.72 -0.79 0.00 5.85 -1.03 -2.20 115.31 118.47 3a2g h LEU 72 Ca 0.16 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.75 3a2g h LEU 72 Cb 0.07 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.83 3a2g h LEU 72 CO -0.02 0.77 0.42 1.23 -0.34 0.00 0.00 178.44 180.49 3a2g h GLY 73 N 0.63 1.22 1.22 3.75 0.00 -0.20 0.86 103.07 110.56 3a2g h GLY 73 Ca 0.15 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3a2g h GLY 73 CO 0.00 0.06 0.12 0.00 0.00 0.00 0.00 176.54 176.72 3a2g h ALA 74 N 1.47 1.07 -0.14 3.60 0.00 -0.90 -0.65 119.26 123.71 3a2g h ALA 74 Ca 0.40 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3a2g h ALA 74 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3a2g h ALA 74 CO -0.29 0.61 0.02 0.82 0.00 0.00 0.00 179.25 180.42 3a2g h ILE 75 N 0.92 1.22 -0.69 0.00 2.04 -0.71 -2.98 117.51 117.30 3a2g h ILE 75 Ca 0.19 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 3a2g h ILE 75 Cb 0.37 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3a2g h ILE 75 CO 0.01 0.21 0.24 -0.07 0.00 0.00 0.00 178.15 178.53 3a2g h LEU 76 N 0.00 0.97 -2.20 1.44 3.38 -0.51 -1.77 115.31 116.63 3a2g h LEU 76 Ca 0.04 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3a2g h LEU 76 Cb 0.30 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3a2g h LEU 76 CO 0.00 0.89 0.00 0.11 0.09 0.00 0.00 178.44 179.54 3a2g h LYS 77 N 1.02 0.00 0.00 1.13 1.57 -1.09 -0.57 116.57 118.63 3a2g h LYS 77 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3a2g h LYS 77 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3a2g h LYS 77 CO -0.01 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.50 3a2g n LYS 78 N -3.01 0.18 -3.86 3.15 4.76 -0.66 -4.94 118.16 113.78 3a2g n LYS 78 Ca -0.01 0.29 -0.25 0.00 -2.87 0.00 0.00 58.31 55.47 3a2g n LYS 78 Cb 0.17 -1.78 0.01 0.00 -1.84 0.00 0.00 35.03 31.59 3a2g n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3a2g n LYS 79 N -2.11 -4.19 0.00 1.97 5.02 -0.22 -1.66 118.16 116.97 3a2g n LYS 79 Ca 0.04 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 3a2g n LYS 79 Cb 0.31 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 3a2g n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a2g n GLY 80 N -1.75 2.86 2.49 0.72 0.00 -1.26 -4.95 105.19 103.30 3a2g n GLY 80 Ca -0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 3a2g n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a2g n HIS 81 N -2.00 2.52 -1.06 1.61 8.25 -0.66 -4.64 115.22 119.24 3a2g n HIS 81 Ca 0.00 -2.72 0.09 0.00 -0.26 0.00 0.00 57.72 54.83 3a2g n HIS 81 Cb 0.00 -1.75 0.19 0.00 1.12 0.00 0.00 29.99 29.55 3a2g n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3a2g n HIS 82 N 1.52 0.37 -0.19 4.41 1.44 -1.26 -4.72 115.22 116.79 3a2g n HIS 82 Ca 0.60 -0.97 0.00 0.00 -2.01 0.00 0.00 57.72 55.34 3a2g n HIS 82 Cb 0.27 -0.22 0.10 0.00 0.12 0.00 0.00 29.99 30.27 3a2g n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3a2g h GLU 83 N 0.70 0.23 -0.64 -1.40 4.57 -1.99 0.05 114.58 116.09 3a2g h GLU 83 Ca 0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3a2g h GLU 83 Cb 1.18 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 3a2g h GLU 83 CO 0.09 0.15 0.32 0.00 -1.18 0.00 0.00 179.01 178.39 3a2g h ALA 84 N 1.48 0.82 -0.16 2.92 0.00 -2.00 -2.34 119.26 119.98 3a2g h ALA 84 Ca 0.31 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3a2g h ALA 84 Cb 0.46 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3a2g h ALA 84 CO -0.41 0.38 -0.54 0.93 0.00 0.00 0.00 179.25 179.61 3a2g h GLU 85 N 0.88 0.48 0.00 0.00 3.07 -1.77 -3.23 114.58 114.01 3a2g h GLU 85 Ca 0.22 -0.30 -0.14 0.00 -0.50 0.00 0.00 59.36 58.64 3a2g h GLU 85 Cb 0.10 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 3a2g h GLU 85 CO -0.03 0.90 -0.68 -0.07 -1.40 0.00 0.00 179.01 177.73 3a2g h LEU 86 N 0.37 0.00 0.28 1.33 4.07 -0.75 -3.31 115.31 117.31 3a2g h LEU 86 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3a2g h LEU 86 Cb 1.06 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.77 3a2g h LEU 86 CO 0.10 0.68 -0.51 0.11 -1.08 0.00 0.00 178.44 177.74 3a2g h LYS 87 N 0.00 -0.83 -0.21 1.13 1.57 -1.44 0.74 116.57 117.53 3a2g h LYS 87 Ca -0.01 0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3a2g h LYS 87 Cb 1.30 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.78 3a2g h LYS 87 CO 0.09 -0.55 -0.16 -1.00 -0.57 0.00 0.00 179.45 177.26 3a2g h PRO 88 N -0.86 0.36 -0.15 3.15 0.13 -1.74 -1.60 132.00 131.30 3a2g h PRO 88 Ca -0.03 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 64.97 3a2g h PRO 88 Cb 0.81 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 3a2g h PRO 88 CO -0.19 0.52 -0.04 1.25 -0.23 0.00 0.00 178.00 179.31 3a2g h LEU 89 N 0.33 0.29 -0.62 1.56 5.85 -1.61 -1.29 115.31 119.81 3a2g h LEU 89 Ca 0.06 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 3a2g h LEU 89 Cb 0.48 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3a2g h LEU 89 CO 0.03 0.59 0.39 0.00 -0.34 0.00 0.00 178.44 179.11 3a2g h ALA 90 N 0.70 0.79 -0.19 1.25 0.00 -0.79 -0.88 119.26 120.14 3a2g h ALA 90 Ca 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3a2g h ALA 90 Cb 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3a2g h ALA 90 CO 0.02 0.26 0.05 0.37 0.00 0.00 0.00 179.25 179.94 3a2g h GLN 91 N 0.85 0.30 -0.49 0.00 4.15 -1.14 0.66 115.11 119.43 3a2g h GLN 91 Ca 0.23 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 3a2g h GLN 91 Cb -0.05 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 3a2g h GLN 91 CO -0.04 0.43 0.04 0.66 -1.93 0.00 0.00 178.83 177.99 3a2g h SER 92 N 0.12 0.81 0.68 -0.69 4.64 -1.17 -1.20 113.55 116.74 3a2g h SER 92 Ca 0.06 -0.28 -0.16 0.00 -0.47 0.00 0.00 61.79 60.94 3a2g h SER 92 Cb 0.27 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3a2g h SER 92 CO 0.00 0.89 -0.73 0.45 -0.87 0.00 0.00 176.83 176.57 3a2g h HIS 93 N 0.70 0.05 -0.06 4.77 3.86 -1.03 0.63 115.15 124.07 3a2g h HIS 93 Ca 0.14 -0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.24 3a2g h HIS 93 Cb 0.45 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.92 3a2g h HIS 93 CO 0.03 0.75 -0.31 0.00 0.86 0.00 0.00 177.93 179.27 3a2g h ALA 94 N 1.24 0.11 0.00 2.45 0.00 -0.86 0.42 119.26 122.62 3a2g h ALA 94 Ca -0.01 -0.44 -0.36 0.00 0.00 0.00 0.00 54.91 54.10 3a2g h ALA 94 Cb 1.29 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 3a2g h ALA 94 CO 0.10 0.17 -2.36 2.41 0.00 0.00 0.00 179.25 179.56 3a2g n THR 95 N -4.44 1.37 -0.11 0.00 -1.04 -0.46 -3.89 114.28 105.71 3a2g n THR 95 Ca -0.09 -0.61 -0.21 0.00 -2.04 0.00 0.00 64.05 61.10 3a2g n THR 95 Cb 0.50 -1.11 -0.08 0.00 -1.82 0.00 0.00 70.33 67.81 3a2g n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3a2g n LYS 96 N -3.07 0.56 0.07 -2.82 4.81 0.02 -4.65 118.16 113.08 3a2g n LYS 96 Ca -0.40 0.37 -0.01 0.00 -0.87 0.00 0.00 58.31 57.41 3a2g n LYS 96 Cb 1.00 -1.57 -0.05 0.00 0.02 0.00 0.00 35.03 34.43 3a2g n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3a2g h HIS 97 N -1.00 0.00 -5.57 5.64 3.86 -1.17 -3.49 115.15 113.42 3a2g h HIS 97 Ca -0.41 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.57 3a2g h HIS 97 Cb 1.30 0.00 0.15 0.00 1.06 0.00 0.00 27.41 29.91 3a2g h HIS 97 CO -0.12 0.63 -0.73 0.36 0.86 0.00 0.00 177.93 178.94 3a2g n LYS 98 N -3.08 -1.93 -3.52 2.45 2.85 -0.37 -4.99 118.16 109.58 3a2g n LYS 98 Ca -0.05 0.92 -0.42 0.00 -1.05 0.00 0.00 58.31 57.71 3a2g n LYS 98 Cb 0.83 -5.52 -0.10 0.00 -0.65 0.00 0.00 35.03 29.58 3a2g n LYS 98 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3a2g s ILE 99 N -3.33 4.99 0.72 0.58 -1.09 -0.00 -5.03 121.20 118.04 3a2g s ILE 99 Ca 0.38 -0.73 -0.14 0.00 -2.23 0.00 0.00 60.65 57.92 3a2g s ILE 99 Cb -0.06 -3.78 0.03 0.00 -1.58 0.00 0.00 42.46 37.07 3a2g s ILE 99 CO 0.76 -0.28 1.15 -2.16 -1.23 0.00 0.00 174.94 173.19 3a2g s PRO 100 N 1.63 2.33 0.36 2.79 0.04 -1.26 -4.78 135.00 136.11 3a2g s PRO 100 Ca 0.04 1.55 0.08 0.00 0.04 0.00 0.00 61.00 62.71 3a2g s PRO 100 Cb -0.19 -1.88 0.80 0.00 0.04 0.00 0.00 34.50 33.27 3a2g s PRO 100 CO 0.09 -1.65 1.88 0.82 0.04 0.00 0.00 177.00 178.18 3a2g h ILE 101 N -0.34 0.87 0.00 0.56 1.08 -1.92 -0.52 117.51 117.24 3a2g h ILE 101 Ca -0.47 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 3a2g h ILE 101 Cb 1.27 0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3a2g h ILE 101 CO 0.51 0.13 -0.09 0.00 -0.69 0.00 0.00 178.15 178.01 3a2g h TYR 103 N 0.00 0.15 -0.07 0.00 -1.99 -1.44 -0.67 116.97 112.95 3a2g h TYR 103 Ca -0.00 -0.07 -0.10 0.00 2.00 0.00 0.00 58.73 60.56 3a2g h TYR 103 Cb 0.20 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.89 3a2g h TYR 103 CO 0.00 0.78 -0.41 -0.07 -0.00 0.00 0.00 178.16 178.46 3a2g h LEU 104 N 0.07 0.17 -0.41 3.88 3.38 -0.74 -1.12 115.31 120.54 3a2g h LEU 104 Ca -0.02 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3a2g h LEU 104 Cb 1.25 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3a2g h LEU 104 CO 0.10 0.56 0.16 -0.33 0.09 0.00 0.00 178.44 179.02 3a2g h GLU 105 N 0.13 0.62 -0.48 1.13 5.08 -0.65 -1.81 114.58 118.61 3a2g h GLU 105 Ca 0.01 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3a2g h GLU 105 Cb 0.79 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 3a2g h GLU 105 CO 0.06 0.59 0.30 0.74 -1.00 0.00 0.00 179.01 179.70 3a2g h PHE 106 N 0.52 0.56 -0.07 4.33 0.04 -0.69 -0.91 116.94 120.73 3a2g h PHE 106 Ca 0.14 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.82 3a2g h PHE 106 Cb 0.20 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3a2g h PHE 106 CO 0.00 0.34 -0.44 0.97 -0.60 0.00 0.00 178.31 178.58 3a2g h ILE 107 N 0.61 1.32 -0.51 -0.55 2.10 -1.17 -1.36 117.51 117.94 3a2g h ILE 107 Ca 0.19 -1.57 -0.01 0.00 1.08 0.00 0.00 64.86 64.55 3a2g h ILE 107 Cb -0.02 1.76 -0.02 0.00 -1.09 0.00 0.00 36.82 37.45 3a2g h ILE 107 CO -0.07 0.46 0.30 0.28 -1.08 0.00 0.00 178.15 178.04 3a2g h SER 108 N 0.13 0.62 -0.86 2.19 0.02 -0.88 -0.34 113.55 114.43 3a2g h SER 108 Ca 0.01 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3a2g h SER 108 Cb 0.83 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.16 3a2g h SER 108 CO 0.06 0.51 0.56 -0.08 -1.14 0.00 0.00 176.83 176.75 3a2g h GLU 109 N 0.68 1.06 -0.55 3.45 4.81 -0.74 -1.19 114.58 122.09 3a2g h GLU 109 Ca 0.18 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3a2g h GLU 109 Cb 0.01 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 3a2g h GLU 109 CO -0.03 0.70 0.15 0.00 -0.73 0.00 0.00 179.01 179.10 3a2g h ALA 110 N 1.35 0.73 -0.20 2.92 0.00 -0.82 -0.20 119.26 123.04 3a2g h ALA 110 Ca 0.34 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3a2g h ALA 110 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3a2g h ALA 110 CO -0.11 0.41 0.11 0.82 0.00 0.00 0.00 179.25 180.49 3a2g h ILE 111 N 0.78 1.10 -0.70 0.00 2.04 -0.74 -1.24 117.51 118.75 3a2g h ILE 111 Ca 0.18 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3a2g h ILE 111 Cb 0.32 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3a2g h ILE 111 CO -0.00 0.10 0.41 0.40 0.00 0.00 0.00 178.15 179.05 3a2g h ILE 112 N 0.22 1.21 -0.39 -0.67 2.04 -1.04 -1.16 117.51 117.71 3a2g h ILE 112 Ca 0.07 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 3a2g h ILE 112 Cb 0.06 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3a2g h ILE 112 CO -0.01 0.22 0.17 -0.74 0.00 0.00 0.00 178.15 177.79 3a2g h HIS 113 N 0.96 0.58 -0.42 1.37 2.76 -0.77 -0.14 115.15 119.48 3a2g h HIS 113 Ca 0.25 -0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 3a2g h HIS 113 Cb -0.01 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3a2g h HIS 113 CO -0.01 0.50 -0.07 0.28 -1.30 0.00 0.00 177.93 177.33 3a2g h VAL 114 N 0.49 1.27 -0.62 5.26 2.07 -1.04 -1.51 116.25 122.17 3a2g h VAL 114 Ca 0.13 -1.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.40 3a2g h VAL 114 Cb 0.15 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3a2g h VAL 114 CO -0.01 0.39 0.01 -0.07 0.02 0.00 0.00 177.57 177.91 3a2g h LEU 115 N 0.62 1.05 -1.01 2.57 3.38 -1.10 0.84 115.31 121.66 3a2g h LEU 115 Ca 0.11 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3a2g h LEU 115 Cb 0.60 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3a2g h LEU 115 CO 0.04 1.09 0.49 -0.74 0.09 0.00 0.00 178.44 179.41 3a2g h HIS 116 N 0.99 1.15 -0.09 1.13 2.76 -0.84 0.39 115.15 120.64 3a2g h HIS 116 Ca 0.18 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.26 3a2g h HIS 116 Cb 0.54 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.13 3a2g h HIS 116 CO 0.04 0.78 -0.22 1.03 -1.30 0.00 0.00 177.93 178.26 3a2g h SER 117 N 1.19 0.35 0.81 3.26 0.87 -0.94 -3.36 113.55 115.73 3a2g h SER 117 Ca 0.31 -0.58 -0.24 0.00 -1.23 0.00 0.00 61.79 60.04 3a2g h SER 117 Cb -0.01 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3a2g h SER 117 CO -0.05 0.87 -1.23 0.03 -0.53 0.00 0.00 176.83 175.91 3a2g h ARG 118 N -0.16 0.04 -1.58 2.24 3.08 -0.74 -3.41 114.38 113.85 3a2g h ARG 118 Ca -0.00 -0.06 -0.52 0.00 0.07 0.00 0.00 59.98 59.47 3a2g h ARG 118 Cb 0.82 0.02 -0.41 0.00 0.08 0.00 0.00 29.97 30.48 3a2g h ARG 118 CO 0.05 0.90 -0.88 0.72 -1.07 0.00 0.00 179.97 179.68 3a2g n HIS 119 N -3.30 2.61 0.24 3.04 8.25 0.12 -4.87 115.22 121.31 3a2g n HIS 119 Ca -0.06 -3.28 0.16 0.00 -0.26 0.00 0.00 57.72 54.28 3a2g n HIS 119 Cb 0.98 -0.27 0.84 0.00 1.12 0.00 0.00 29.99 32.66 3a2g n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3a2g h PRO 120 N 2.81 0.00 0.00 -0.41 0.13 -1.75 0.38 132.00 133.16 3a2g h PRO 120 Ca 0.14 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 3a2g h PRO 120 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 3a2g h PRO 120 CO 0.72 0.00 -0.07 0.78 -0.23 0.00 0.00 178.00 179.20 3a2g h GLY 121 N 0.00 0.00 -0.06 1.56 0.00 -1.95 -3.28 103.07 99.34 3a2g h GLY 121 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3a2g h GLY 121 CO -0.00 0.00 -0.03 1.22 0.00 0.00 0.00 176.54 177.73 3a2g n ASP 122 N -3.20 0.77 -2.65 0.19 8.00 -0.54 -4.82 116.55 114.30 3a2g n ASP 122 Ca 0.00 -1.48 -0.13 0.00 0.71 0.00 0.00 54.79 53.90 3a2g n ASP 122 Cb 0.35 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.44 3a2g n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3a2g n PHE 123 N -0.22 1.54 -0.59 1.24 7.35 0.12 -4.48 117.46 122.42 3a2g n PHE 123 Ca 0.01 -2.89 -0.02 0.00 -0.76 0.00 0.00 57.45 53.79 3a2g n PHE 123 Cb 0.43 -0.33 0.02 0.00 0.35 0.00 0.00 39.48 39.95 3a2g n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3a2g n GLY 124 N -0.13 -2.34 0.21 7.13 0.00 -1.25 -4.58 105.19 104.24 3a2g n GLY 124 Ca 0.15 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 3a2g n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a2g h ALA 125 N -2.05 0.64 -0.29 4.61 0.00 -1.98 0.35 119.26 120.55 3a2g h ALA 125 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3a2g h ALA 125 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3a2g h ALA 125 CO 0.02 0.10 0.10 -0.44 0.00 0.00 0.00 179.25 179.02 3a2g h ASP 126 N 0.68 0.41 -0.62 0.00 3.32 -1.99 -0.98 116.42 117.23 3a2g h ASP 126 Ca 0.18 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3a2g h ASP 126 Cb -0.05 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3a2g h ASP 126 CO -0.04 0.50 0.24 0.00 -1.72 0.00 0.00 179.24 178.22 3a2g h ALA 127 N 0.93 0.81 -0.76 3.45 0.00 -1.80 -0.95 119.26 120.94 3a2g h ALA 127 Ca 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3a2g h ALA 127 Cb 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3a2g h ALA 127 CO -0.00 0.43 0.43 0.37 0.00 0.00 0.00 179.25 180.48 3a2g h GLN 128 N 0.87 1.04 -0.66 0.00 4.15 -0.82 -0.25 115.11 119.45 3a2g h GLN 128 Ca 0.21 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.52 3a2g h GLN 128 Cb 0.22 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 3a2g h GLN 128 CO -0.01 0.76 0.44 0.78 -1.93 0.00 0.00 178.83 178.87 3a2g h GLY 129 N 1.04 0.93 0.96 2.39 0.00 -0.87 0.12 103.07 107.63 3a2g h GLY 129 Ca 0.27 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 3a2g h GLY 129 CO -0.05 0.34 0.19 0.00 0.00 0.00 0.00 176.54 177.03 3a2g h ALA 130 N 1.24 0.59 -0.53 3.60 0.00 -0.80 -0.93 119.26 122.43 3a2g h ALA 130 Ca 0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3a2g h ALA 130 Cb -0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3a2g h ALA 130 CO -0.05 0.18 0.14 1.98 0.00 0.00 0.00 179.25 181.50 3a2g h MET 131 N 0.59 0.83 -0.54 0.00 -1.53 -0.77 -0.11 114.93 113.41 3a2g h MET 131 Ca 0.15 -0.19 0.06 0.00 -3.44 0.00 0.00 59.70 56.28 3a2g h MET 131 Cb 0.17 -0.11 -0.05 0.00 -0.55 0.00 0.00 31.60 31.06 3a2g h MET 131 CO -0.01 0.78 0.24 -0.97 0.14 0.00 0.00 176.91 177.08 3a2g h ASN 132 N 0.73 0.30 -0.60 1.39 -1.24 -0.60 0.68 115.58 116.24 3a2g h ASN 132 Ca 0.17 0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.22 3a2g h ASN 132 Cb 0.31 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.34 3a2g h ASN 132 CO -0.00 0.20 0.36 0.50 -1.29 0.00 0.00 177.43 177.20 3a2g h LYS 133 N 0.45 0.80 -0.49 6.67 3.64 -0.71 0.17 116.57 127.10 3a2g h LYS 133 Ca 0.25 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3a2g h LYS 133 Cb 0.23 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3a2g h LYS 133 CO -0.22 0.57 0.24 0.00 -2.27 0.00 0.00 179.45 177.78 3a2g h ALA 134 N 1.19 0.63 -0.17 5.00 0.00 -0.53 -0.71 119.26 124.67 3a2g h ALA 134 Ca 0.21 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3a2g h ALA 134 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3a2g h ALA 134 CO -0.04 0.19 -0.46 -0.07 0.00 0.00 0.00 179.25 178.87 3a2g h LEU 135 N 0.65 0.46 -0.67 0.00 3.38 -0.59 -1.04 115.31 117.51 3a2g h LEU 135 Ca 0.17 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3a2g h LEU 135 Cb 0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3a2g h LEU 135 CO -0.02 0.85 0.29 -0.33 0.09 0.00 0.00 178.44 179.32 3a2g h GLU 136 N 0.34 0.98 -0.37 1.13 5.08 -0.39 -0.50 114.58 120.85 3a2g h GLU 136 Ca 0.02 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3a2g h GLU 136 Cb 0.94 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3a2g h GLU 136 CO 0.08 0.80 0.14 1.25 -1.00 0.00 0.00 179.01 180.27 3a2g h LEU 137 N 0.93 0.52 -0.02 1.33 5.85 -0.91 0.14 115.31 123.15 3a2g h LEU 137 Ca 0.23 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3a2g h LEU 137 Cb 0.16 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3a2g h LEU 137 CO -0.02 0.57 -0.26 0.15 -0.34 0.00 0.00 178.44 178.53 3a2g h PHE 138 N 0.45 -0.69 -0.62 1.25 3.57 -0.95 -0.56 116.94 119.39 3a2g h PHE 138 Ca 0.12 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3a2g h PHE 138 Cb 0.21 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 3a2g h PHE 138 CO 0.00 -0.35 0.21 0.00 -2.23 0.00 0.00 178.31 175.95 3a2g h ARG 139 N -0.38 0.93 -0.06 1.11 3.08 -0.88 -0.48 114.38 117.70 3a2g h ARG 139 Ca 0.07 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3a2g h ARG 139 Cb 0.48 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 3a2g h ARG 139 CO -0.24 0.78 0.03 -0.22 -1.07 0.00 0.00 179.97 179.25 3a2g h LYS 140 N 0.91 0.08 -0.54 0.04 3.64 -0.40 0.87 116.57 121.17 3a2g h LYS 140 Ca 0.21 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3a2g h LYS 140 Cb 0.23 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3a2g h LYS 140 CO -0.01 0.15 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.81 3a2g h ASP 141 N -0.01 0.96 -0.42 4.20 3.32 -0.95 -1.49 116.42 122.03 3a2g h ASP 141 Ca 0.02 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 3a2g h ASP 141 Cb 0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3a2g h ASP 141 CO -0.00 1.05 0.17 0.40 -1.72 0.00 0.00 179.24 179.14 3a2g h ILE 142 N 0.88 1.20 -0.86 0.35 1.08 -1.00 -1.85 117.51 117.31 3a2g h ILE 142 Ca 0.15 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 3a2g h ILE 142 Cb 0.61 0.82 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 3a2g h ILE 142 CO 0.04 0.23 0.54 0.00 -0.69 0.00 0.00 178.15 178.27 3a2g h ALA 143 N 1.01 1.34 -0.68 1.87 0.00 -0.62 0.19 119.26 122.37 3a2g h ALA 143 Ca 0.14 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3a2g h ALA 143 Cb 0.19 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3a2g h ALA 143 CO -0.01 0.59 0.16 0.00 0.00 0.00 0.00 179.25 179.99 3a2g h ALA 144 N 1.42 1.00 -0.51 0.00 0.00 -1.02 -2.10 119.26 118.04 3a2g h ALA 144 Ca 0.31 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3a2g h ALA 144 Cb -0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3a2g h ALA 144 CO -0.06 0.65 -0.17 0.87 0.00 0.00 0.00 179.25 180.53 3a2g h LYS 145 N 1.02 1.03 -0.56 0.00 1.79 -0.69 -2.30 116.57 116.86 3a2g h LYS 145 Ca 0.21 -0.41 0.09 0.00 -2.18 0.00 0.00 60.65 58.35 3a2g h LYS 145 Cb 0.37 -0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.90 3a2g h LYS 145 CO 0.00 1.10 0.19 1.88 -1.08 0.00 0.00 179.45 181.54 3a2g h TYR 146 N 0.89 0.32 -0.56 -1.35 -1.99 -0.34 -0.38 116.97 113.56 3a2g h TYR 146 Ca 0.12 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.84 3a2g h TYR 146 Cb 0.75 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.40 3a2g h TYR 146 CO 0.05 0.08 0.18 0.87 -0.00 0.00 0.00 178.16 179.34 3a2g h LYS 147 N 0.36 0.86 -0.62 4.88 6.56 -1.18 -0.71 116.57 126.72 3a2g h LYS 147 Ca 0.28 -0.18 0.03 0.00 -1.06 0.00 0.00 60.65 59.72 3a2g h LYS 147 Cb 0.34 -0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 31.84 3a2g h LYS 147 CO -0.30 0.78 0.41 0.93 -2.06 0.00 0.00 179.45 179.21 3a2g h GLU 148 N 0.77 0.71 -0.00 3.15 5.08 -0.80 -2.41 114.58 121.09 3a2g h GLU 148 Ca 0.18 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3a2g h GLU 148 Cb 0.27 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3a2g h GLU 148 CO -0.01 0.47 -0.14 1.28 -1.00 0.00 0.00 179.01 179.61 3a2g n LEU 149 N -4.46 0.20 0.00 1.33 4.77 -0.22 -4.93 117.00 113.68 3a2g n LEU 149 Ca 0.07 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3a2g n LEU 149 Cb 0.13 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3a2g n LEU 149 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3a2g n GLY 150 N 1.45 0.81 3.22 -0.72 0.00 -0.74 -5.05 105.19 104.15 3a2g n GLY 150 Ca 0.08 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 3a2g n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a2g s TYR 151 N -2.00 2.70 0.37 1.61 5.04 -0.35 -5.02 117.35 119.70 3a2g s TYR 151 Ca 0.00 -1.15 0.11 0.00 -2.44 0.00 0.00 57.07 53.59 3a2g s TYR 151 Cb 0.00 -1.82 0.72 0.00 0.35 0.00 0.00 41.96 41.21 3a2g s TYR 151 CO 0.00 -0.51 1.85 -0.56 -1.34 0.00 0.00 175.55 174.99 3a2g h GLN 152 N 7.18 0.10 0.00 4.97 3.07 -1.94 -3.24 115.11 125.25 3a2g h GLN 152 Ca -0.30 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.41 3a2g h GLN 152 Cb 1.20 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.75 3a2g h GLN 152 CO 0.55 0.39 0.00 0.41 0.09 0.00 0.00 178.83 180.27