#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o7o s ARG 3 N 0.00 4.28 -0.21 4.33 6.06 -1.26 -4.95 118.95 127.19 2o7o s ARG 3 Ca 0.00 2.29 0.11 0.00 -2.50 0.00 0.00 55.73 55.62 2o7o s ARG 3 Cb 0.00 -3.11 0.42 0.00 0.06 0.00 0.00 34.95 32.33 2o7o s ARG 3 CO 0.00 -0.39 1.22 1.28 -2.50 0.00 0.00 175.30 174.91 2o7o n LEU 4 N 2.13 2.82 -4.78 -0.88 4.77 -1.26 -4.38 117.00 115.43 2o7o n LEU 4 Ca 0.06 -3.95 -0.30 0.00 -0.03 0.00 0.00 56.01 51.79 2o7o n LEU 4 Cb 0.40 -0.52 0.11 0.00 -2.33 0.00 0.00 43.42 41.09 2o7o n LEU 4 CO 0.60 1.44 0.70 0.54 -1.33 0.00 0.00 177.39 179.35 2o7o s ASN 5 N -3.26 4.03 0.18 -1.43 4.22 -1.26 -4.76 114.94 112.65 2o7o s ASN 5 Ca 0.39 1.30 -0.18 0.00 -2.14 0.00 0.00 52.86 52.23 2o7o s ASN 5 Cb 0.37 -1.99 0.13 0.00 1.28 0.00 0.00 41.25 41.04 2o7o s ASN 5 CO -0.06 -2.26 1.63 0.03 -2.04 0.00 0.00 177.10 174.39 2o7o h ARG 6 N -1.29 -0.08 -0.58 3.55 3.08 -1.98 0.06 114.38 117.13 2o7o h ARG 6 Ca -0.48 0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.67 2o7o h ARG 6 Cb 1.28 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.27 2o7o h ARG 6 CO 0.58 -0.06 0.15 1.49 -1.07 0.00 0.00 179.97 181.07 2o7o h GLU 7 N -0.09 0.29 -0.02 0.04 4.81 -1.98 -0.27 114.58 117.36 2o7o h GLU 7 Ca 0.23 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.21 2o7o h GLU 7 Cb 0.43 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2o7o h GLU 7 CO -0.53 0.19 -0.91 0.77 -0.73 0.00 0.00 179.01 177.80 2o7o h SER 8 N 0.29 0.61 -0.34 1.04 0.02 -1.57 0.24 113.55 113.85 2o7o h SER 8 Ca 0.30 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2o7o h SER 8 Cb 0.41 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2o7o h SER 8 CO -0.36 1.26 0.21 0.58 -1.14 0.00 0.00 176.83 177.38 2o7o h VAL 9 N 0.29 1.11 0.03 2.27 2.07 -0.73 0.26 116.25 121.55 2o7o h VAL 9 Ca -0.08 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2o7o h VAL 9 Cb 1.54 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2o7o h VAL 9 CO 0.16 0.11 -0.01 0.40 0.02 0.00 0.00 177.57 178.24 2o7o h ILE 10 N 0.44 1.06 -0.75 4.57 2.04 -1.01 0.28 117.51 124.14 2o7o h ILE 10 Ca 0.12 -0.27 0.13 0.00 1.00 0.00 0.00 64.86 65.83 2o7o h ILE 10 Cb -0.01 1.24 -0.13 0.00 -0.74 0.00 0.00 36.82 37.18 2o7o h ILE 10 CO -0.02 0.07 -0.35 0.44 0.00 0.00 0.00 178.15 178.29 2o7o h ASP 11 N -0.16 -1.24 -0.01 1.72 3.45 -0.36 0.15 116.42 119.97 2o7o h ASP 11 Ca -0.00 0.26 -0.21 0.00 0.43 0.00 0.00 57.03 57.50 2o7o h ASP 11 Cb 0.15 0.64 0.01 0.00 -0.56 0.00 0.00 39.33 39.56 2o7o h ASP 11 CO 0.01 -0.30 -0.78 0.00 -1.57 0.00 0.00 179.24 176.60 2o7o h ALA 12 N 1.17 0.39 -0.69 3.45 0.00 -0.49 -1.91 119.26 121.19 2o7o h ALA 12 Ca 0.28 -0.61 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2o7o h ALA 12 Cb 0.57 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2o7o h ALA 12 CO -0.80 0.71 0.43 0.00 0.00 0.00 0.00 179.25 179.59 2o7o h ALA 13 N 0.67 0.90 -0.39 0.00 0.00 -0.61 0.14 119.26 119.98 2o7o h ALA 13 Ca -0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2o7o h ALA 13 Cb 1.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2o7o h ALA 13 CO 0.15 0.20 -0.08 1.25 0.00 0.00 0.00 179.25 180.78 2o7o h LEU 14 N 0.84 0.74 -0.49 0.00 5.85 -0.49 0.44 115.31 122.20 2o7o h LEU 14 Ca 0.28 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2o7o h LEU 14 Cb 0.02 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2o7o h LEU 14 CO -0.11 0.92 0.29 -0.08 -0.34 0.00 0.00 178.44 179.12 2o7o h GLU 15 N 0.55 0.56 -0.58 1.25 4.81 -1.17 -0.48 114.58 119.52 2o7o h GLU 15 Ca 0.10 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 2o7o h GLU 15 Cb 0.59 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 2o7o h GLU 15 CO 0.03 0.37 0.15 1.25 -0.73 0.00 0.00 179.01 180.08 2o7o h LEU 16 N 0.57 0.82 -0.38 1.64 5.85 -0.16 -0.59 115.31 123.06 2o7o h LEU 16 Ca 0.20 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2o7o h LEU 16 Cb 0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2o7o h LEU 16 CO -0.10 0.80 -0.05 0.25 -0.34 0.00 0.00 178.44 179.00 2o7o h LEU 17 N 0.85 0.71 -1.29 2.25 5.85 0.07 -0.32 115.31 123.43 2o7o h LEU 17 Ca 0.19 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 2o7o h LEU 17 Cb 0.30 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2o7o h LEU 17 CO -0.00 0.88 -0.36 -1.13 -0.34 0.00 0.00 178.44 177.49 2o7o h ASN 18 N 0.52 0.00 0.19 1.25 -1.24 -0.55 0.37 115.58 116.12 2o7o h ASN 18 Ca 0.10 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 2o7o h ASN 18 Cb 0.55 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.60 2o7o h ASN 18 CO 0.03 0.36 -0.09 -0.33 -1.29 0.00 0.00 177.43 176.10 2o7o h GLU 19 N 0.00 -0.25 -0.08 6.67 5.08 -0.80 -3.42 114.58 121.78 2o7o h GLU 19 Ca -0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2o7o h GLU 19 Cb 0.63 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2o7o h GLU 19 CO 0.05 -0.17 0.00 0.25 -1.00 0.00 0.00 179.01 178.14 2o7o n THR 20 N -3.55 0.10 -3.14 1.13 -2.24 -0.16 -5.08 114.28 101.33 2o7o n THR 20 Ca -0.03 -0.55 0.01 0.00 -2.27 0.00 0.00 64.05 61.20 2o7o n THR 20 Cb 0.10 1.28 -0.00 0.00 -2.10 0.00 0.00 70.33 69.61 2o7o n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o7o n GLY 21 N 1.02 -2.03 0.23 3.38 0.00 0.13 -3.02 105.19 104.89 2o7o n GLY 21 Ca 0.11 -1.41 -0.04 0.00 0.00 0.00 0.00 46.02 44.69 2o7o n GLY 21 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2o7o h ILE 22 N -0.04 1.27 -0.22 -0.61 2.10 -1.85 -2.49 117.51 115.67 2o7o h ILE 22 Ca 0.00 -1.33 0.02 0.00 1.08 0.00 0.00 64.86 64.63 2o7o h ILE 22 Cb 0.04 1.41 -0.01 0.00 -1.09 0.00 0.00 36.82 37.17 2o7o h ILE 22 CO 0.00 0.42 0.15 0.44 -1.08 0.00 0.00 178.15 178.08 2o7o h ASP 23 N 0.41 0.18 0.43 2.19 5.19 -1.97 -2.83 116.42 120.02 2o7o h ASP 23 Ca 0.06 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2o7o h ASP 23 Cb 0.71 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.18 2o7o h ASP 23 CO 0.05 0.13 -0.41 0.61 -3.12 0.00 0.00 179.24 176.50 2o7o n GLY 24 N -1.52 -1.07 2.79 2.75 0.00 -0.96 -4.50 105.19 102.68 2o7o n GLY 24 Ca 0.01 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2o7o n GLY 24 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2o7o n LEU 25 N -1.25 6.12 -4.69 0.99 7.94 -1.07 -4.72 117.00 120.32 2o7o n LEU 25 Ca 0.08 -3.73 -0.31 0.00 -1.11 0.00 0.00 56.01 50.94 2o7o n LEU 25 Cb 0.34 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 42.75 2o7o n LEU 25 CO 0.32 0.74 -0.33 0.42 -1.11 0.00 0.00 177.39 177.43 2o7o s THR 26 N 3.65 4.08 0.29 1.96 -4.23 -1.26 -4.95 115.64 115.17 2o7o s THR 26 Ca 0.52 -0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 60.10 2o7o s THR 26 Cb 0.14 -2.92 0.27 0.00 1.34 0.00 0.00 72.50 71.33 2o7o s THR 26 CO -0.02 0.16 1.93 0.71 -0.54 0.00 0.00 174.62 176.86 2o7o h THR 27 N 2.95 1.16 -0.76 3.99 1.35 -1.96 0.16 112.91 119.80 2o7o h THR 27 Ca -0.48 -0.39 0.12 0.00 -0.55 0.00 0.00 66.41 65.11 2o7o h THR 27 Cb 1.17 -0.08 -0.08 0.00 -1.73 0.00 0.00 68.15 67.42 2o7o h THR 27 CO 0.60 0.21 0.35 -0.09 -0.25 0.00 0.00 175.52 176.34 2o7o h ARG 28 N 1.14 0.54 0.00 4.72 2.43 -1.96 -0.48 114.38 120.77 2o7o h ARG 28 Ca 0.36 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.30 2o7o h ARG 28 Cb 0.00 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 2o7o h ARG 28 CO -0.10 0.35 -0.93 0.87 -1.51 0.00 0.00 179.97 178.65 2o7o h LYS 29 N 0.55 0.00 -0.69 0.20 6.56 -1.37 -2.57 116.57 119.26 2o7o h LYS 29 Ca 0.40 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.91 2o7o h LYS 29 Cb 0.52 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.15 2o7o h LYS 29 CO -0.34 0.93 0.14 1.25 -2.06 0.00 0.00 179.45 179.38 2o7o h LEU 30 N 0.00 1.06 -0.19 2.94 5.85 -0.23 -0.73 115.31 124.00 2o7o h LEU 30 Ca -0.01 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.48 2o7o h LEU 30 Cb 1.69 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2o7o h LEU 30 CO 0.12 1.03 0.12 0.00 -0.34 0.00 0.00 178.44 179.36 2o7o h ALA 31 N 1.10 0.24 -0.32 1.25 0.00 -0.99 -1.24 119.26 119.29 2o7o h ALA 31 Ca 0.21 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2o7o h ALA 31 Cb 0.40 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2o7o h ALA 31 CO 0.01 -0.29 0.15 0.37 0.00 0.00 0.00 179.25 179.48 2o7o h GLN 32 N 0.24 0.30 -0.68 0.00 -0.00 -1.33 0.82 115.11 114.46 2o7o h GLN 32 Ca 0.07 -0.02 0.03 0.00 -0.00 0.00 0.00 58.65 58.74 2o7o h GLN 32 Cb -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 27.48 27.36 2o7o h GLN 32 CO -0.03 0.20 0.42 -0.22 0.00 0.00 0.00 178.83 179.20 2o7o h LYS 33 N 0.31 0.79 0.00 1.69 3.64 -0.80 -1.66 116.57 120.55 2o7o h LYS 33 Ca 0.14 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2o7o h LYS 33 Cb 0.07 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2o7o h LYS 33 CO -0.11 0.53 0.00 -0.07 -2.27 0.00 0.00 179.45 177.53 2o7o h LEU 34 N 0.82 0.00 -1.06 5.20 3.38 -0.93 -3.47 115.31 119.25 2o7o h LEU 34 Ca 0.28 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.12 2o7o h LEU 34 Cb 0.04 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.84 2o7o h LEU 34 CO -0.12 0.00 -0.23 0.61 0.09 0.00 0.00 178.44 178.80 2o7o n GLY 35 N 0.29 0.43 3.28 0.83 0.00 0.17 -0.56 105.19 109.63 2o7o n GLY 35 Ca 0.02 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 2o7o n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2o7o s ILE 36 N -3.11 0.89 0.53 -0.61 -4.36 -0.54 -4.57 121.20 109.44 2o7o s ILE 36 Ca 0.17 -2.01 -0.13 0.00 -0.26 0.00 0.00 60.65 58.42 2o7o s ILE 36 Cb -0.08 -2.20 -0.06 0.00 1.25 0.00 0.00 42.46 41.37 2o7o s ILE 36 CO 0.24 -0.43 0.96 -1.61 0.24 0.00 0.00 174.94 174.35 2o7o s GLU 37 N -3.88 3.79 0.23 0.37 0.41 -1.26 -4.18 118.70 114.18 2o7o s GLU 37 Ca 0.25 0.78 -0.08 0.00 -0.41 0.00 0.00 54.97 55.52 2o7o s GLU 37 Cb 0.06 -2.16 0.20 0.00 -1.78 0.00 0.00 34.13 30.44 2o7o s GLU 37 CO 0.06 -0.34 1.88 1.96 -0.49 0.00 0.00 175.26 178.33 2o7o h GLN 38 N 0.50 1.17 0.00 1.61 4.20 -1.94 -1.98 115.11 118.67 2o7o h GLN 38 Ca -0.46 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.13 2o7o h GLN 38 Cb 1.19 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.72 2o7o h GLN 38 CO 0.62 0.81 -0.09 -1.35 -0.67 0.00 0.00 178.83 178.15 2o7o h PRO 39 N 1.18 0.00 -0.45 1.46 0.11 -1.99 0.10 132.00 132.41 2o7o h PRO 39 Ca 0.31 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.36 2o7o h PRO 39 Cb -0.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 2o7o h PRO 39 CO -0.06 0.09 0.06 1.15 -0.21 0.00 0.00 178.00 179.03 2o7o h THR 40 N 0.00 1.25 -0.40 -1.15 2.02 -1.77 -2.92 112.91 109.95 2o7o h THR 40 Ca -0.00 -0.93 -0.11 0.00 0.77 0.00 0.00 66.41 66.14 2o7o h THR 40 Cb 0.16 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2o7o h THR 40 CO 0.01 0.33 -0.18 0.25 0.37 0.00 0.00 175.52 176.30 2o7o h LEU 41 N 0.62 0.84 -2.12 2.58 5.85 -0.84 -3.02 115.31 119.23 2o7o h LEU 41 Ca 0.14 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.52 2o7o h LEU 41 Cb 0.41 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2o7o h LEU 41 CO 0.01 1.06 0.18 0.22 -0.34 0.00 0.00 178.44 179.57 2o7o h TYR 42 N 0.63 0.00 -0.34 1.25 3.20 -0.93 0.24 116.97 121.02 2o7o h TYR 42 Ca 0.09 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2o7o h TYR 42 Cb 0.73 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 2o7o h TYR 42 CO 0.06 0.00 0.12 2.35 -1.64 0.00 0.00 178.16 179.05 2o7o h TRP 43 N 0.00 0.47 0.02 -3.82 7.01 -1.37 -3.23 115.95 115.03 2o7o h TRP 43 Ca 0.10 -0.01 -0.36 0.00 2.11 0.00 0.00 58.89 60.72 2o7o h TRP 43 Cb 0.46 -0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 27.31 2o7o h TRP 43 CO 0.00 0.38 -2.24 0.72 -2.79 0.00 0.00 178.44 174.51 2o7o n HIS 44 N -4.39 0.40 -3.74 2.65 8.25 0.30 -4.89 115.22 113.80 2o7o n HIS 44 Ca 0.02 0.11 -0.23 0.00 -0.26 0.00 0.00 57.72 57.35 2o7o n HIS 44 Cb 0.15 -1.06 -0.17 0.00 1.12 0.00 0.00 29.99 30.02 2o7o n HIS 44 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2o7o s VAL 45 N -2.53 0.29 -0.13 1.59 1.01 0.56 -5.04 120.40 116.15 2o7o s VAL 45 Ca -0.20 0.07 0.15 0.00 0.00 0.00 0.00 61.98 62.00 2o7o s VAL 45 Cb 0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 2o7o s VAL 45 CO 0.74 0.16 1.21 0.11 0.00 0.00 0.00 175.10 177.31 2o7o h LYS 46 N 8.34 0.00 -2.24 2.72 1.79 -1.84 -3.34 116.57 122.00 2o7o h LYS 46 Ca -0.18 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.50 2o7o h LYS 46 Cb 1.12 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.71 2o7o h LYS 46 CO 0.25 0.45 0.62 0.54 -1.08 0.00 0.00 179.45 180.23 2o7o s ASN 47 N -6.22 -0.07 0.16 0.86 2.20 -1.26 -5.03 114.94 105.59 2o7o s ASN 47 Ca 0.01 -0.45 -0.11 0.00 -0.94 0.00 0.00 52.86 51.38 2o7o s ASN 47 Cb 0.08 0.41 0.04 0.00 -2.00 0.00 0.00 41.25 39.78 2o7o s ASN 47 CO 0.77 -0.79 1.62 0.50 -2.94 0.00 0.00 177.10 176.26 2o7o h LYS 48 N 2.00 0.98 -0.66 3.55 3.64 -1.93 -2.90 116.57 121.25 2o7o h LYS 48 Ca -0.26 -0.31 0.10 0.00 -1.27 0.00 0.00 60.65 58.90 2o7o h LYS 48 Cb 1.22 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.88 2o7o h LYS 48 CO 0.30 0.98 0.27 -0.09 -2.27 0.00 0.00 179.45 178.65 2o7o h ARG 49 N 0.86 0.46 -0.82 1.90 9.65 -1.98 -0.59 114.38 123.86 2o7o h ARG 49 Ca 0.16 -0.03 0.06 0.00 -1.10 0.00 0.00 59.98 59.07 2o7o h ARG 49 Cb 0.55 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.97 2o7o h ARG 49 CO 0.03 0.30 0.50 0.00 2.80 0.00 0.00 179.97 183.60 2o7o h ALA 50 N 1.44 1.12 -0.08 2.80 0.00 -1.93 -0.73 119.26 121.88 2o7o h ALA 50 Ca 0.33 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 2o7o h ALA 50 Cb 0.40 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2o7o h ALA 50 CO -0.31 0.24 -0.17 1.25 0.00 0.00 0.00 179.25 180.27 2o7o h LEU 51 N 0.92 0.28 -0.56 0.00 5.85 -1.22 -2.63 115.31 117.95 2o7o h LEU 51 Ca 0.36 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.56 2o7o h LEU 51 Cb 0.16 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2o7o h LEU 51 CO -0.17 0.80 0.28 -0.07 -0.34 0.00 0.00 178.44 178.95 2o7o h LEU 52 N -0.23 0.41 -1.29 2.25 3.38 -0.60 0.20 115.31 119.44 2o7o h LEU 52 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2o7o h LEU 52 Cb 0.76 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2o7o h LEU 52 CO 0.04 0.27 0.45 0.44 0.09 0.00 0.00 178.44 179.73 2o7o h ASP 53 N 0.54 0.82 0.47 -0.43 3.32 -1.08 -1.29 116.42 118.78 2o7o h ASP 53 Ca 0.25 -0.03 -0.30 0.00 0.02 0.00 0.00 57.03 56.97 2o7o h ASP 53 Cb 0.16 -0.20 0.02 0.00 0.22 0.00 0.00 39.33 39.53 2o7o h ASP 53 CO -0.17 0.60 -1.33 0.00 -1.72 0.00 0.00 179.24 176.61 2o7o h ALA 54 N 1.54 -0.01 -0.81 3.45 0.00 -0.96 -2.86 119.26 119.62 2o7o h ALA 54 Ca 0.26 -0.87 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 2o7o h ALA 54 Cb -0.09 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2o7o h ALA 54 CO -0.05 0.85 0.34 -0.07 0.00 0.00 0.00 179.25 180.32 2o7o h LEU 55 N 0.11 1.11 -0.24 0.00 4.07 -0.30 -1.25 115.31 118.82 2o7o h LEU 55 Ca -0.18 -0.17 0.05 0.00 0.08 0.00 0.00 57.88 57.66 2o7o h LEU 55 Cb 2.05 -0.29 -0.05 0.00 1.08 0.00 0.00 40.66 43.45 2o7o h LEU 55 CO 0.23 0.97 -0.07 0.00 -1.08 0.00 0.00 178.44 178.50 2o7o h ALA 56 N 1.18 0.14 -0.57 1.53 0.00 -1.23 0.80 119.26 121.11 2o7o h ALA 56 Ca 0.27 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2o7o h ALA 56 Cb 0.20 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2o7o h ALA 56 CO -0.02 -0.48 0.32 0.28 0.00 0.00 0.00 179.25 179.34 2o7o h VAL 57 N -0.02 1.19 0.00 0.00 2.07 -1.25 -3.24 116.25 115.00 2o7o h VAL 57 Ca 0.12 -0.46 -0.17 0.00 0.82 0.00 0.00 66.70 67.00 2o7o h VAL 57 Cb 0.20 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2o7o h VAL 57 CO -0.25 0.20 -0.82 -0.08 0.02 0.00 0.00 177.57 176.63 2o7o h GLU 58 N 0.77 0.00 -0.86 1.57 4.57 -0.90 -1.57 114.58 118.16 2o7o h GLU 58 Ca 0.20 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.40 2o7o h GLU 58 Cb 0.04 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 2o7o h GLU 58 CO -0.03 0.82 0.56 0.82 -1.18 0.00 0.00 179.01 180.01 2o7o h ILE 59 N 0.00 1.18 0.04 2.32 2.04 -0.87 -1.26 117.51 120.96 2o7o h ILE 59 Ca -0.01 -0.38 -0.24 0.00 1.00 0.00 0.00 64.86 65.23 2o7o h ILE 59 Cb 1.54 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2o7o h ILE 59 CO 0.11 0.20 -1.02 -0.07 0.00 0.00 0.00 178.15 177.38 2o7o h LEU 60 N 1.12 0.47 -1.27 1.44 3.38 -1.53 -1.97 115.31 116.94 2o7o h LEU 60 Ca 0.33 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2o7o h LEU 60 Cb -0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2o7o h LEU 60 CO -0.08 1.24 -0.05 0.00 0.09 0.00 0.00 178.44 179.63 2o7o h ALA 61 N 0.72 1.41 0.16 1.53 0.00 -0.84 -0.59 119.26 121.66 2o7o h ALA 61 Ca -0.09 -0.21 -0.33 0.00 0.00 0.00 0.00 54.91 54.29 2o7o h ALA 61 Cb 1.67 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.34 2o7o h ALA 61 CO 0.17 0.41 -1.60 0.00 0.00 0.00 0.00 179.25 178.23 2o7o h ARG 62 N 0.41 0.34 0.00 0.00 3.08 -1.25 -3.43 114.38 113.54 2o7o h ARG 62 Ca 0.09 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2o7o h ARG 62 Cb 0.36 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2o7o h ARG 62 CO 0.02 1.24 0.00 0.72 -1.07 0.00 0.00 179.97 180.87 2o7o n HIS 63 N -3.54 0.00 -3.44 3.04 8.25 -0.75 -4.91 115.22 113.88 2o7o n HIS 63 Ca -0.19 -0.02 -0.44 0.00 -0.26 0.00 0.00 57.72 56.81 2o7o n HIS 63 Cb 1.06 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 32.12 2o7o n HIS 63 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2o7o s HIS 64 N -0.04 3.49 -0.96 4.41 5.04 -0.24 -4.07 115.29 122.92 2o7o s HIS 64 Ca 0.00 -1.87 0.24 0.00 -1.54 0.00 0.00 55.06 51.89 2o7o s HIS 64 Cb 0.00 -3.64 0.24 0.00 0.04 0.00 0.00 32.58 29.22 2o7o s HIS 64 CO 0.00 -0.98 1.22 -0.40 -2.34 0.00 0.00 174.74 172.24 2o7o n ASP 65 N 4.51 0.66 -3.24 9.88 5.75 -1.26 -4.43 116.55 128.43 2o7o n ASP 65 Ca -0.01 -0.47 -0.27 0.00 -0.01 0.00 0.00 54.79 54.03 2o7o n ASP 65 Cb 0.42 0.53 -0.07 0.00 -1.03 0.00 0.00 41.12 40.97 2o7o n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2o7o n TYR 66 N -1.55 3.67 0.13 2.11 4.19 -1.26 -4.83 117.16 119.63 2o7o n TYR 66 Ca 0.05 -4.09 0.08 0.00 3.31 0.00 0.00 57.90 57.25 2o7o n TYR 66 Cb 0.34 -0.53 0.04 0.00 0.49 0.00 0.00 39.34 39.68 2o7o n TYR 66 CO 0.00 0.00 0.00 0.77 0.91 0.00 0.00 176.86 178.54 2o7o h SER 67 N 3.73 0.00 -4.39 2.98 0.02 -1.93 -3.35 113.55 110.62 2o7o h SER 67 Ca 0.17 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.70 2o7o h SER 67 Cb 0.61 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.92 2o7o h SER 67 CO 0.82 0.19 -0.78 -0.76 -1.14 0.00 0.00 176.83 175.15 2o7o s LEU 68 N -5.85 2.20 0.44 5.07 2.01 -1.26 -4.84 118.68 116.45 2o7o s LEU 68 Ca 0.02 -0.49 -0.22 0.00 0.01 0.00 0.00 54.13 53.44 2o7o s LEU 68 Cb 0.08 -0.53 -0.09 0.00 0.01 0.00 0.00 46.19 45.66 2o7o s LEU 68 CO 0.75 -0.01 1.05 -2.16 1.01 0.00 0.00 176.35 176.99 2o7o s PRO 69 N -1.29 3.96 0.95 1.29 0.04 -1.26 -5.03 135.00 133.67 2o7o s PRO 69 Ca -0.00 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 2o7o s PRO 69 Cb -0.08 -2.32 0.13 0.00 0.04 0.00 0.00 34.50 32.27 2o7o s PRO 69 CO 0.01 -0.30 0.92 0.00 0.04 0.00 0.00 177.00 177.67 2o7o n ALA 70 N -0.53 -1.53 -1.87 8.56 0.00 -1.26 -4.92 120.51 118.96 2o7o n ALA 70 Ca 0.07 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 2o7o n ALA 70 Cb 0.51 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 2o7o n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2o7o s ALA 71 N -2.55 3.81 -1.16 0.00 0.00 -1.26 -1.53 121.76 119.07 2o7o s ALA 71 Ca 0.64 1.41 0.00 0.00 0.00 0.00 0.00 51.96 54.01 2o7o s ALA 71 Cb -0.22 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2o7o s ALA 71 CO 0.61 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2o7o n GLY 72 N 3.87 1.13 3.76 0.00 0.00 -1.26 -4.97 105.19 107.72 2o7o n GLY 72 Ca 0.15 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2o7o n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2o7o s GLU 73 N -2.79 4.49 0.59 1.61 2.12 -0.58 -5.00 118.70 119.14 2o7o s GLU 73 Ca 0.00 2.00 -0.19 0.00 0.36 0.00 0.00 54.97 57.14 2o7o s GLU 73 Cb 0.00 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 2o7o s GLU 73 CO 0.00 0.01 1.21 -1.54 -0.54 0.00 0.00 175.26 174.40 2o7o s SER 74 N -0.71 5.22 0.40 -1.70 1.04 -1.26 -4.87 113.70 111.82 2o7o s SER 74 Ca 0.47 2.41 0.11 0.00 0.48 0.00 0.00 55.95 59.42 2o7o s SER 74 Cb -0.36 -2.60 0.85 0.00 0.10 0.00 0.00 66.02 64.01 2o7o s SER 74 CO 0.46 -1.58 1.94 4.11 0.98 0.00 0.00 173.24 179.16 2o7o h TRP 75 N 0.95 0.17 -0.30 5.02 5.08 -1.95 -0.67 115.95 124.25 2o7o h TRP 75 Ca -0.50 -0.02 -0.03 0.00 1.08 0.00 0.00 58.89 59.42 2o7o h TRP 75 Cb 1.30 -0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 27.40 2o7o h TRP 75 CO 0.47 0.31 0.08 1.96 -1.28 0.00 0.00 178.44 179.98 2o7o h GLN 76 N 0.15 0.47 -0.79 0.12 7.50 -1.97 -0.70 115.11 119.89 2o7o h GLN 76 Ca 0.03 -0.11 -0.04 0.00 0.50 0.00 0.00 58.65 59.03 2o7o h GLN 76 Cb 0.36 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.79 2o7o h GLN 76 CO 0.02 0.53 0.33 1.03 -1.50 0.00 0.00 178.83 179.25 2o7o h SER 77 N 0.32 1.07 -0.12 1.46 0.87 -1.84 -2.05 113.55 113.26 2o7o h SER 77 Ca 0.09 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2o7o h SER 77 Cb 0.27 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2o7o h SER 77 CO -0.00 0.94 0.06 0.15 -0.53 0.00 0.00 176.83 177.44 2o7o h PHE 78 N 1.14 0.18 -0.80 2.24 3.57 -0.80 -0.67 116.94 121.80 2o7o h PHE 78 Ca 0.27 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.79 2o7o h PHE 78 Cb 0.19 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 2o7o h PHE 78 CO 0.02 0.25 0.51 -0.07 -2.23 0.00 0.00 178.31 176.79 2o7o h LEU 79 N 0.06 0.83 0.20 0.59 3.38 -0.98 0.73 115.31 120.13 2o7o h LEU 79 Ca 0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2o7o h LEU 79 Cb 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2o7o h LEU 79 CO -0.00 0.57 -0.10 -0.09 0.09 0.00 0.00 178.44 178.91 2o7o h ARG 80 N 0.98 -0.26 -0.66 1.13 2.43 -1.13 -0.35 114.38 116.52 2o7o h ARG 80 Ca 0.32 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 2o7o h ARG 80 Cb 0.02 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2o7o h ARG 80 CO -0.12 -0.15 0.28 -0.91 -1.51 0.00 0.00 179.97 177.57 2o7o h ASN 81 N -0.31 0.89 -0.70 -3.80 2.35 -0.94 -1.97 115.58 111.10 2o7o h ASN 81 Ca -0.03 -0.16 0.02 0.00 -0.55 0.00 0.00 56.30 55.59 2o7o h ASN 81 Cb 0.24 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 2o7o h ASN 81 CO 0.05 0.80 0.44 -1.13 -1.65 0.00 0.00 177.43 175.94 2o7o h ASN 82 N 0.92 0.73 -0.42 5.81 -0.73 -0.83 -1.87 115.58 119.19 2o7o h ASN 82 Ca 0.22 -0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.27 2o7o h ASN 82 Cb 0.18 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.59 2o7o h ASN 82 CO -0.02 0.51 -0.21 0.00 -0.37 0.00 0.00 177.43 177.34 2o7o h ALA 83 N 1.29 0.59 -0.53 1.57 0.00 -0.74 0.32 119.26 121.75 2o7o h ALA 83 Ca 0.27 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2o7o h ALA 83 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2o7o h ALA 83 CO -0.10 0.56 0.34 0.52 0.00 0.00 0.00 179.25 180.58 2o7o h MET 84 N 0.70 0.68 -0.30 0.00 2.86 -1.29 0.68 114.93 118.26 2o7o h MET 84 Ca 0.09 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 2o7o h MET 84 Cb 0.77 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2o7o h MET 84 CO 0.06 0.45 -0.00 1.03 1.06 0.00 0.00 176.91 179.51 2o7o h SER 85 N 0.70 0.52 -0.18 1.22 0.87 -1.09 -1.13 113.55 114.46 2o7o h SER 85 Ca 0.20 -0.31 0.02 0.00 -1.23 0.00 0.00 61.79 60.47 2o7o h SER 85 Cb -0.05 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 2o7o h SER 85 CO -0.06 0.71 0.03 0.15 -0.53 0.00 0.00 176.83 177.14 2o7o h PHE 86 N 0.33 0.06 -0.60 2.24 3.57 -0.12 -1.45 116.94 120.97 2o7o h PHE 86 Ca 0.08 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.64 2o7o h PHE 86 Cb 0.44 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 2o7o h PHE 86 CO 0.04 0.02 0.34 -0.09 -2.23 0.00 0.00 178.31 176.39 2o7o h ARG 87 N 0.11 0.64 -0.56 1.11 2.43 -0.63 -0.50 114.38 116.99 2o7o h ARG 87 Ca 0.08 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2o7o h ARG 87 Cb 0.07 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2o7o h ARG 87 CO -0.11 0.43 0.27 -0.09 -1.51 0.00 0.00 179.97 178.96 2o7o h ARG 88 N 0.66 0.80 -0.74 0.20 2.43 -0.93 -1.57 114.38 115.23 2o7o h ARG 88 Ca 0.25 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2o7o h ARG 88 Cb 0.10 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 2o7o h ARG 88 CO -0.14 0.65 0.45 0.00 -1.51 0.00 0.00 179.97 179.42 2o7o h ALA 89 N 1.11 0.94 -0.23 2.80 0.00 -0.70 -2.46 119.26 120.71 2o7o h ALA 89 Ca 0.19 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2o7o h ALA 89 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2o7o h ALA 89 CO -0.02 0.40 -0.35 -0.07 0.00 0.00 0.00 179.25 179.21 2o7o h LEU 90 N 1.00 0.52 -0.73 0.00 3.38 -0.71 -3.15 115.31 115.62 2o7o h LEU 90 Ca 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2o7o h LEU 90 Cb -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2o7o h LEU 90 CO -0.05 0.83 0.00 -0.07 0.09 0.00 0.00 178.44 179.24 2o7o h LEU 91 N 0.42 0.00 -1.28 1.67 3.38 -1.14 -3.27 115.31 115.10 2o7o h LEU 91 Ca 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2o7o h LEU 91 Cb 0.81 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2o7o h LEU 91 CO 0.07 0.00 0.25 -0.09 0.09 0.00 0.00 178.44 178.76 2o7o h ARG 92 N 0.00 0.75 -6.83 1.13 9.65 -1.40 -3.42 114.38 114.27 2o7o h ARG 92 Ca 0.00 -0.09 -0.69 0.00 -1.10 0.00 0.00 59.98 58.10 2o7o h ARG 92 Cb 0.64 -0.15 -0.23 0.00 -1.39 0.00 0.00 29.97 28.85 2o7o h ARG 92 CO 0.00 0.59 -0.86 0.71 2.80 0.00 0.00 179.97 183.21 2o7o s TYR 93 N -5.43 2.35 0.26 2.20 2.02 -1.26 -5.08 117.35 112.41 2o7o s TYR 93 Ca -0.09 -0.37 -0.31 0.00 -0.37 0.00 0.00 57.07 55.93 2o7o s TYR 93 Cb 0.17 -1.31 -0.13 0.00 -0.40 0.00 0.00 41.96 40.29 2o7o s TYR 93 CO 0.77 0.28 1.40 -2.13 -1.57 0.00 0.00 175.55 174.30 2o7o n ARG 94 N 1.17 2.08 -1.67 -0.62 0.63 -1.26 -1.87 116.66 115.12 2o7o n ARG 94 Ca -0.17 0.74 -0.16 0.00 -0.92 0.00 0.00 57.85 57.34 2o7o n ARG 94 Cb 0.53 -2.39 -0.05 0.00 0.45 0.00 0.00 32.46 31.00 2o7o n ARG 94 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2o7o n ASP 95 N 1.95 -4.23 -0.23 6.15 8.00 -1.26 -4.54 116.55 122.39 2o7o n ASP 95 Ca 0.10 0.33 -0.01 0.00 0.71 0.00 0.00 54.79 55.92 2o7o n ASP 95 Cb 0.32 -3.79 0.10 0.00 -0.02 0.00 0.00 41.12 37.73 2o7o n ASP 95 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2o7o h GLY 96 N 0.00 0.97 1.00 0.44 0.00 -1.47 -0.57 103.07 103.44 2o7o h GLY 96 Ca -0.33 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 2o7o h GLY 96 CO 0.46 0.13 0.07 0.00 0.00 0.00 0.00 176.54 177.21 2o7o h ALA 97 N 1.36 0.69 -0.56 3.60 0.00 -1.82 -2.34 119.26 120.18 2o7o h ALA 97 Ca 0.30 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2o7o h ALA 97 Cb 0.22 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 2o7o h ALA 97 CO -0.20 0.44 0.04 -0.22 0.00 0.00 0.00 179.25 179.31 2o7o h LYS 98 N 0.75 0.15 -0.75 0.00 3.64 -1.74 -2.07 116.57 116.55 2o7o h LYS 98 Ca 0.16 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2o7o h LYS 98 Cb 0.42 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 2o7o h LYS 98 CO 0.01 0.10 0.35 0.28 -2.27 0.00 0.00 179.45 177.93 2o7o h VAL 99 N 0.16 1.24 -0.03 2.00 2.07 -0.79 -2.56 116.25 118.34 2o7o h VAL 99 Ca 0.29 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 2o7o h VAL 99 Cb 0.45 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2o7o h VAL 99 CO -0.45 0.29 -0.46 -0.74 0.02 0.00 0.00 177.57 176.23 2o7o h HIS 100 N 1.07 0.08 -3.05 1.57 -0.00 -0.86 -3.42 115.15 110.55 2o7o h HIS 100 Ca 0.26 -0.02 -0.57 0.00 -0.00 0.00 0.00 60.37 60.03 2o7o h HIS 100 Cb 0.12 -0.02 0.10 0.00 -0.00 0.00 0.00 27.41 27.61 2o7o h HIS 100 CO 0.01 0.52 0.59 1.28 -0.00 0.00 0.00 177.93 180.34 2o7o n LEU 101 N -3.98 3.45 0.00 0.26 4.77 -0.97 -1.21 117.00 119.32 2o7o n LEU 101 Ca -0.02 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 2o7o n LEU 101 Cb 0.49 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 2o7o n LEU 101 CO 0.41 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 2o7o n GLY 102 N 1.49 0.86 3.77 -0.72 0.00 -1.26 -5.01 105.19 104.32 2o7o n GLY 102 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2o7o n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2o7o s THR 103 N -3.23 2.57 0.23 2.61 -4.23 -0.35 -5.08 115.64 108.16 2o7o s THR 103 Ca 0.00 0.18 0.08 0.00 -1.18 0.00 0.00 61.69 60.78 2o7o s THR 103 Cb 0.00 -2.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 2o7o s THR 103 CO 0.00 -0.24 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.57 2o7o s ARG 104 N -5.13 1.44 0.28 3.99 1.81 -1.26 -5.10 118.95 114.97 2o7o s ARG 104 Ca 0.63 -1.66 -0.29 0.00 -1.72 0.00 0.00 55.73 52.69 2o7o s ARG 104 Cb -0.16 -1.25 -0.14 0.00 -0.45 0.00 0.00 34.95 32.96 2o7o s ARG 104 CO 0.55 0.18 1.15 -2.30 -0.68 0.00 0.00 175.30 174.20 2o7o n PRO 105 N -0.46 1.61 -2.59 3.54 -0.02 -1.26 -4.97 135.00 130.85 2o7o n PRO 105 Ca -0.07 0.57 -0.28 0.00 -2.02 0.00 0.00 63.50 61.70 2o7o n PRO 105 Cb 0.61 -2.04 -0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2o7o n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2o7o s ASP 106 N -0.32 6.27 0.39 2.55 2.15 -1.26 -4.93 116.67 121.52 2o7o s ASP 106 Ca 0.61 0.97 0.13 0.00 0.43 0.00 0.00 52.55 54.69 2o7o s ASP 106 Cb -0.68 -2.27 0.95 0.00 -0.30 0.00 0.00 42.92 40.62 2o7o s ASP 106 CO 0.58 -0.59 1.89 1.05 -0.17 0.00 0.00 175.17 177.93 2o7o h GLU 107 N 0.23 0.53 0.00 4.34 4.11 -2.01 0.57 114.58 122.34 2o7o h GLU 107 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2o7o h GLU 107 Cb 1.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2o7o h GLU 107 CO 0.62 0.35 0.00 0.87 0.07 0.00 0.00 179.01 180.92 2o7o h LYS 108 N 0.54 0.00 -0.02 1.06 6.56 -2.02 -2.04 116.57 120.66 2o7o h LYS 108 Ca 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.00 2o7o h LYS 108 Cb 0.81 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 2o7o h LYS 108 CO -0.16 0.00 -0.32 1.04 -2.06 0.00 0.00 179.45 177.95 2o7o n GLN 109 N -2.48 1.54 0.02 3.15 6.02 0.19 -4.68 117.38 121.14 2o7o n GLN 109 Ca 0.01 -1.11 -0.10 0.00 -0.01 0.00 0.00 57.00 55.79 2o7o n GLN 109 Cb 0.21 -1.39 -0.04 0.00 1.02 0.00 0.00 30.24 30.04 2o7o n GLN 109 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 2o7o h TYR 110 N 2.61 -0.60 -0.31 1.08 0.05 -0.82 -0.92 116.97 118.06 2o7o h TYR 110 Ca 0.00 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.84 2o7o h TYR 110 Cb 0.71 0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.70 2o7o h TYR 110 CO 0.00 -0.31 0.10 -0.44 -1.05 0.00 0.00 178.16 176.46 2o7o h ASP 111 N -0.31 0.10 0.26 3.88 3.32 -1.83 -0.23 116.42 121.61 2o7o h ASP 111 Ca 0.09 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.18 2o7o h ASP 111 Cb 0.44 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 2o7o h ASP 111 CO -0.27 0.09 -0.44 0.74 -1.72 0.00 0.00 179.24 177.65 2o7o h THR 112 N 0.23 0.13 0.00 0.35 2.02 -1.79 -0.26 112.91 113.60 2o7o h THR 112 Ca 0.14 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.23 2o7o h THR 112 Cb 0.12 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2o7o h THR 112 CO -0.15 0.00 -0.42 -0.37 0.37 0.00 0.00 175.52 174.95 2o7o h VAL 113 N -0.77 1.14 -0.65 3.16 -1.51 -0.99 -0.82 116.25 115.82 2o7o h VAL 113 Ca -0.01 -1.53 -0.00 0.00 -1.23 0.00 0.00 66.70 63.93 2o7o h VAL 113 Cb 0.73 1.86 -0.03 0.00 -2.13 0.00 0.00 31.29 31.72 2o7o h VAL 113 CO -0.17 0.41 0.40 -0.08 -1.23 0.00 0.00 177.57 176.90 2o7o h GLU 114 N 0.00 0.89 -0.71 5.19 4.57 -0.84 -1.20 114.58 122.47 2o7o h GLU 114 Ca -0.00 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 2o7o h GLU 114 Cb 0.83 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 2o7o h GLU 114 CO 0.05 0.63 0.33 1.15 -1.18 0.00 0.00 179.01 179.99 2o7o h THR 115 N 0.89 1.24 -0.39 0.32 2.02 0.12 0.33 112.91 117.44 2o7o h THR 115 Ca 0.24 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 2o7o h THR 115 Cb -0.03 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 2o7o h THR 115 CO -0.04 0.29 0.15 1.56 0.37 0.00 0.00 175.52 177.85 2o7o h GLN 116 N 1.01 0.58 -0.13 6.66 4.20 -0.87 -0.10 115.11 126.45 2o7o h GLN 116 Ca 0.24 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2o7o h GLN 116 Cb 0.15 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2o7o h GLN 116 CO -0.03 0.55 0.04 -0.07 -0.67 0.00 0.00 178.83 178.65 2o7o h LEU 117 N 0.48 0.20 -0.43 1.46 3.38 -0.98 -1.91 115.31 117.50 2o7o h LEU 117 Ca 0.13 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.96 2o7o h LEU 117 Cb 0.19 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2o7o h LEU 117 CO -0.01 0.35 0.05 -0.09 0.09 0.00 0.00 178.44 178.84 2o7o h ARG 118 N 0.03 0.17 -0.63 1.13 2.43 -0.81 -2.22 114.38 114.47 2o7o h ARG 118 Ca 0.04 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 2o7o h ARG 118 Cb 0.23 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.67 2o7o h ARG 118 CO -0.00 0.11 0.27 0.35 -1.51 0.00 0.00 179.97 179.19 2o7o h PHE 119 N 0.17 0.48 -0.52 2.20 3.57 -0.85 0.72 116.94 122.71 2o7o h PHE 119 Ca 0.21 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2o7o h PHE 119 Cb 0.29 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2o7o h PHE 119 CO -0.24 0.15 0.28 0.52 -2.23 0.00 0.00 178.31 176.79 2o7o h MET 120 N 0.48 0.73 -0.47 1.11 2.86 -0.90 -2.33 114.93 116.41 2o7o h MET 120 Ca 0.31 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.82 2o7o h MET 120 Cb 0.35 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2o7o h MET 120 CO -0.28 0.58 0.13 1.79 1.06 0.00 0.00 176.91 180.18 2o7o h THR 121 N 0.70 1.20 0.00 2.22 1.35 -0.77 -0.61 112.91 117.00 2o7o h THR 121 Ca 0.18 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2o7o h THR 121 Cb 0.06 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 2o7o h THR 121 CO -0.03 0.26 0.00 -0.62 -0.25 0.00 0.00 175.52 174.88 2o7o n GLU 122 N -4.31 0.12 -0.40 4.72 1.02 0.17 -2.65 120.64 119.32 2o7o n GLU 122 Ca 0.03 0.47 0.08 0.00 -0.02 0.00 0.00 57.16 57.72 2o7o n GLU 122 Cb 0.20 -1.79 0.25 0.00 -0.02 0.00 0.00 31.44 30.08 2o7o n GLU 122 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2o7o n ASN 123 N -2.03 3.81 0.00 1.62 3.02 -0.25 -4.94 115.26 116.49 2o7o n ASN 123 Ca 0.01 -2.46 0.00 0.00 -0.03 0.00 0.00 54.58 52.10 2o7o n ASN 123 Cb 0.13 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 2o7o n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2o7o n GLY 124 N 0.38 2.01 3.76 7.41 0.00 -1.08 -5.03 105.19 112.64 2o7o n GLY 124 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2o7o n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o7o s PHE 125 N -2.26 3.95 0.93 1.61 0.40 -1.12 -5.02 117.98 116.47 2o7o s PHE 125 Ca 0.00 1.88 -0.11 0.00 -0.60 0.00 0.00 56.93 58.11 2o7o s PHE 125 Cb 0.00 -2.96 0.15 0.00 0.51 0.00 0.00 43.02 40.73 2o7o s PHE 125 CO 0.00 0.43 1.12 -1.54 0.70 0.00 0.00 175.22 175.93 2o7o s SER 126 N -1.23 2.88 0.22 1.36 1.04 -1.26 -4.03 113.70 112.68 2o7o s SER 126 Ca 0.42 1.99 -0.07 0.00 0.48 0.00 0.00 55.95 58.76 2o7o s SER 126 Cb -0.25 -2.49 0.36 0.00 0.10 0.00 0.00 66.02 63.74 2o7o s SER 126 CO 0.31 -3.09 1.72 0.25 0.98 0.00 0.00 173.24 173.40 2o7o h LEU 127 N -1.86 0.13 -0.38 2.42 7.12 -1.95 0.12 115.31 120.90 2o7o h LEU 127 Ca -0.46 0.11 -0.03 0.00 0.13 0.00 0.00 57.88 57.62 2o7o h LEU 127 Cb 1.27 0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 41.51 2o7o h LEU 127 CO 0.45 0.06 0.12 -0.09 -0.13 0.00 0.00 178.44 178.85 2o7o h ARG 128 N 0.35 0.60 -0.01 1.25 2.43 -1.98 0.29 114.38 117.30 2o7o h ARG 128 Ca 0.36 -0.13 -0.17 0.00 -0.81 0.00 0.00 59.98 59.23 2o7o h ARG 128 Cb 0.53 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2o7o h ARG 128 CO -0.40 0.60 -0.76 -0.44 -1.51 0.00 0.00 179.97 177.46 2o7o h ASP 129 N 0.47 0.11 -0.44 -3.80 5.19 -1.80 -0.57 116.42 115.58 2o7o h ASP 129 Ca 0.12 -0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.40 2o7o h ASP 129 Cb 0.25 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 2o7o h ASP 129 CO -0.00 0.83 0.07 1.23 -3.12 0.00 0.00 179.24 178.24 2o7o h GLY 130 N 2.02 0.79 1.14 2.75 0.00 -0.42 -1.74 103.07 107.61 2o7o h GLY 130 Ca -0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 2o7o h GLY 130 CO 0.11 0.49 0.02 -2.00 0.00 0.00 0.00 176.54 175.16 2o7o h LEU 131 N 0.59 1.00 -1.21 3.11 6.46 -0.15 -1.03 115.31 124.10 2o7o h LEU 131 Ca 0.13 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 2o7o h LEU 131 Cb 0.39 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2o7o h LEU 131 CO 0.01 1.05 0.26 1.88 -0.62 0.00 0.00 178.44 181.02 2o7o h TYR 132 N 0.95 0.81 0.03 1.25 0.05 -0.92 0.15 116.97 119.28 2o7o h TYR 132 Ca 0.17 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 2o7o h TYR 132 Cb 0.53 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.01 2o7o h TYR 132 CO 0.04 0.60 -0.01 0.00 -1.05 0.00 0.00 178.16 177.74 2o7o h ALA 133 N 1.48 -0.04 -0.93 3.88 0.00 -1.06 -1.41 119.26 121.19 2o7o h ALA 133 Ca 0.20 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2o7o h ALA 133 Cb 0.11 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2o7o h ALA 133 CO -0.02 -0.32 0.61 0.82 0.00 0.00 0.00 179.25 180.34 2o7o h ILE 134 N -0.44 1.22 -0.37 0.00 2.04 -1.00 -0.64 117.51 118.33 2o7o h ILE 134 Ca -0.00 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 2o7o h ILE 134 Cb 0.41 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 2o7o h ILE 134 CO 0.01 0.23 0.04 0.28 0.00 0.00 0.00 178.15 178.70 2o7o h SER 135 N 1.24 0.60 -0.36 1.72 0.02 -0.67 -1.08 113.55 115.02 2o7o h SER 135 Ca 0.35 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2o7o h SER 135 Cb -0.11 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2o7o h SER 135 CO -0.08 0.72 0.09 0.00 -1.14 0.00 0.00 176.83 176.42 2o7o h ALA 136 N 0.90 0.47 -0.60 3.77 0.00 -0.69 0.73 119.26 123.83 2o7o h ALA 136 Ca 0.11 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2o7o h ALA 136 Cb 0.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2o7o h ALA 136 CO 0.01 0.14 0.40 0.28 0.00 0.00 0.00 179.25 180.08 2o7o h VAL 137 N 0.43 1.16 -0.28 0.00 2.07 -1.04 -1.15 116.25 117.43 2o7o h VAL 137 Ca 0.11 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2o7o h VAL 137 Cb 0.30 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2o7o h VAL 137 CO 0.00 0.15 0.17 0.28 0.02 0.00 0.00 177.57 178.19 2o7o h SER 138 N 0.82 0.34 -0.48 0.57 0.02 -0.78 -1.36 113.55 112.68 2o7o h SER 138 Ca 0.22 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2o7o h SER 138 Cb -0.10 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2o7o h SER 138 CO -0.05 0.29 0.08 0.45 -1.14 0.00 0.00 176.83 176.47 2o7o h HIS 139 N 0.36 0.83 -0.26 3.45 3.86 -0.74 0.15 115.15 122.80 2o7o h HIS 139 Ca 0.10 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2o7o h HIS 139 Cb 0.02 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 2o7o h HIS 139 CO -0.04 0.77 0.13 0.35 0.86 0.00 0.00 177.93 179.99 2o7o h PHE 140 N 0.66 0.36 -0.19 2.45 3.57 -1.16 -1.13 116.94 121.49 2o7o h PHE 140 Ca 0.15 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2o7o h PHE 140 Cb 0.38 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2o7o h PHE 140 CO 0.03 0.33 0.05 1.15 -2.23 0.00 0.00 178.31 177.64 2o7o h THR 141 N 0.29 1.20 -0.59 4.41 2.02 -1.03 -0.58 112.91 118.63 2o7o h THR 141 Ca 0.09 -0.62 0.10 0.00 0.77 0.00 0.00 66.41 66.75 2o7o h THR 141 Cb 0.10 1.25 -0.08 0.00 -1.74 0.00 0.00 68.15 67.68 2o7o h THR 141 CO -0.01 0.19 0.18 -0.07 0.37 0.00 0.00 175.52 176.18 2o7o h LEU 142 N 0.13 0.13 -0.46 2.58 3.38 -0.62 -1.39 115.31 119.05 2o7o h LEU 142 Ca 0.06 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 2o7o h LEU 142 Cb 0.25 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2o7o h LEU 142 CO -0.00 0.08 -0.17 1.23 0.09 0.00 0.00 178.44 179.67 2o7o h GLY 143 N 0.34 1.01 0.80 0.83 0.00 -0.98 0.58 103.07 105.65 2o7o h GLY 143 Ca 0.30 -0.88 0.02 0.00 0.00 0.00 0.00 47.33 46.77 2o7o h GLY 143 CO -0.34 0.80 -0.03 0.00 0.00 0.00 0.00 176.54 176.98 2o7o h ALA 144 N 0.86 0.06 -0.26 3.60 0.00 -0.86 -1.31 119.26 121.35 2o7o h ALA 144 Ca 0.11 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2o7o h ALA 144 Cb 0.74 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2o7o h ALA 144 CO 0.06 -0.49 0.02 0.28 0.00 0.00 0.00 179.25 179.11 2o7o h VAL 145 N -0.01 1.25 -0.18 0.00 2.07 -1.10 -1.26 116.25 117.02 2o7o h VAL 145 Ca 0.05 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.76 2o7o h VAL 145 Cb 0.08 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 2o7o h VAL 145 CO -0.10 0.27 -0.17 -0.07 0.02 0.00 0.00 177.57 177.51 2o7o h LEU 146 N 0.23 -0.55 -0.84 2.57 3.38 -0.83 0.12 115.31 119.39 2o7o h LEU 146 Ca 0.07 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2o7o h LEU 146 Cb 0.38 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2o7o h LEU 146 CO 0.01 -0.22 -0.04 -0.33 0.09 0.00 0.00 178.44 177.95 2o7o h GLU 147 N -0.20 0.83 0.07 1.13 4.39 -1.16 -0.30 114.58 119.34 2o7o h GLU 147 Ca 0.11 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 2o7o h GLU 147 Cb 0.36 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2o7o h GLU 147 CO -0.29 0.85 -0.03 0.37 -1.16 0.00 0.00 179.01 178.75 2o7o h GLN 148 N 0.76 -0.09 -0.52 2.33 4.15 -0.84 -2.04 115.11 118.87 2o7o h GLN 148 Ca 0.14 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.45 2o7o h GLN 148 Cb 0.51 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 2o7o h GLN 148 CO 0.03 0.02 -0.14 1.96 -1.93 0.00 0.00 178.83 178.76 2o7o h GLN 149 N -0.17 1.02 -0.01 1.69 4.20 -0.54 -2.35 115.11 118.96 2o7o h GLN 149 Ca -0.01 -0.40 -0.15 0.00 0.06 0.00 0.00 58.65 58.15 2o7o h GLN 149 Cb 0.14 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2o7o h GLN 149 CO 0.01 1.09 -0.70 1.49 -0.67 0.00 0.00 178.83 180.05 2o7o h GLU 150 N 0.89 0.03 -0.38 1.46 4.57 -1.11 -2.59 114.58 117.46 2o7o h GLU 150 Ca 0.13 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 2o7o h GLU 150 Cb 0.72 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 2o7o h GLU 150 CO 0.06 0.72 -0.07 1.25 -1.18 0.00 0.00 179.01 179.79 2o7o h HIS 151 N 0.02 0.80 -0.52 0.92 2.76 -1.09 -0.28 115.15 117.76 2o7o h HIS 151 Ca -0.01 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.00 2o7o h HIS 151 Cb 1.24 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.97 2o7o h HIS 151 CO 0.00 0.84 0.33 1.79 -1.30 0.00 0.00 177.93 179.60 2o7o h THR 152 N 0.52 1.14 -0.09 6.26 1.35 -1.38 -1.68 112.91 119.03 2o7o h THR 152 Ca 0.10 -0.28 -0.22 0.00 -0.55 0.00 0.00 66.41 65.46 2o7o h THR 152 Cb 0.57 0.39 0.01 0.00 -1.73 0.00 0.00 68.15 67.38 2o7o h THR 152 CO 0.03 0.14 -0.82 0.00 -0.25 0.00 0.00 175.52 174.63 2o7o h ALA 153 N 1.66 0.38 0.00 6.62 0.00 -0.98 -2.97 119.26 123.97 2o7o h ALA 153 Ca 0.19 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2o7o h ALA 153 Cb -0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2o7o h ALA 153 CO -0.04 0.73 -0.21 0.00 0.00 0.00 0.00 179.25 179.73 2o7o h ALA 154 N 0.68 1.42 -0.48 0.00 0.00 -0.71 -2.65 119.26 117.51 2o7o h ALA 154 Ca -0.06 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2o7o h ALA 154 Cb 1.43 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2o7o h ALA 154 CO 0.16 0.26 -0.07 -0.07 0.00 0.00 0.00 179.25 179.52 2o7o h LEU 155 N 0.00 0.90 -0.91 0.00 3.38 -1.15 -1.71 115.31 115.82 2o7o h LEU 155 Ca -0.00 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 2o7o h LEU 155 Cb 0.43 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2o7o h LEU 155 CO 0.03 1.03 -0.11 0.71 0.09 0.00 0.00 178.44 180.19 2o7o h THR 156 N 0.76 1.25 0.00 0.22 1.35 -1.43 -3.30 112.91 111.76 2o7o h THR 156 Ca 0.13 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 2o7o h THR 156 Cb 0.61 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2o7o h THR 156 CO 0.04 0.38 0.00 0.47 -0.25 0.00 0.00 175.52 176.15 2o7o n ASP 157 N -4.18 0.00 -4.27 5.36 8.00 -1.09 -4.95 116.55 115.43 2o7o n ASP 157 Ca 0.01 0.74 -0.19 0.00 0.71 0.00 0.00 54.79 56.06 2o7o n ASP 157 Cb 0.35 -0.45 -0.11 0.00 -0.02 0.00 0.00 41.12 40.88 2o7o n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2o7o s ARG 158 N -1.99 1.09 0.49 -1.24 1.04 -0.66 -5.12 118.95 112.55 2o7o s ARG 158 Ca 0.00 -1.30 -0.08 0.00 -1.04 0.00 0.00 55.73 53.31 2o7o s ARG 158 Cb 0.00 -0.99 -0.05 0.00 -2.04 0.00 0.00 34.95 31.87 2o7o s ARG 158 CO 0.00 0.19 0.84 -2.14 -0.04 0.00 0.00 175.30 174.15 2o7o s PRO 159 N -2.79 3.64 0.76 3.89 0.02 -1.26 -4.06 135.00 135.19 2o7o s PRO 159 Ca 0.11 0.41 -0.15 0.00 0.02 0.00 0.00 61.00 61.40 2o7o s PRO 159 Cb -0.04 -2.31 0.05 0.00 0.02 0.00 0.00 34.50 32.21 2o7o s PRO 159 CO 0.04 -0.23 1.17 0.00 -0.33 0.00 0.00 177.00 177.64 2o7o n ALA 160 N -2.06 0.12 -1.64 -1.55 0.00 -1.26 -5.04 120.51 109.09 2o7o n ALA 160 Ca 0.02 -0.25 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 2o7o n ALA 160 Cb 0.55 -2.23 0.13 0.00 0.00 0.00 0.00 19.45 17.90 2o7o n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2o7o s ALA 161 N -1.93 1.97 0.31 0.00 0.00 -1.26 -4.97 121.76 115.89 2o7o s ALA 161 Ca 0.75 -0.63 -0.26 0.00 0.00 0.00 0.00 51.96 51.81 2o7o s ALA 161 Cb -0.32 -2.99 -0.14 0.00 0.00 0.00 0.00 23.12 19.68 2o7o s ALA 161 CO 0.49 -2.21 0.79 -2.30 0.00 0.00 0.00 175.76 172.53 2o7o n PRO 162 N -3.70 0.87 -0.19 0.00 -0.02 -1.26 -4.89 135.00 125.81 2o7o n PRO 162 Ca 0.08 0.31 -0.03 0.00 -2.02 0.00 0.00 63.50 61.83 2o7o n PRO 162 Cb 0.60 -1.59 0.16 0.00 -0.02 0.00 0.00 33.50 32.64 2o7o n PRO 162 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2o7o h ASP 163 N 1.45 0.89 -1.00 2.55 1.82 -2.00 -3.28 116.42 116.85 2o7o h ASP 163 Ca -0.38 -0.14 0.39 0.00 -0.39 0.00 0.00 57.03 56.52 2o7o h ASP 163 Cb 1.38 -0.23 -0.17 0.00 0.68 0.00 0.00 39.33 40.98 2o7o h ASP 163 CO 0.57 0.82 0.54 1.05 -1.61 0.00 0.00 179.24 180.61 2o7o h GLU 164 N 0.94 0.09 0.00 0.28 4.11 -2.04 -1.62 114.58 116.34 2o7o h GLU 164 Ca 0.21 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.64 2o7o h GLU 164 Cb 0.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2o7o h GLU 164 CO -0.01 0.06 -0.63 0.27 0.07 0.00 0.00 179.01 178.76 2o7o n ASN 165 N -5.21 0.65 -4.72 3.06 6.94 -1.24 -4.95 115.26 109.81 2o7o n ASN 165 Ca 0.36 0.05 -0.42 0.00 -0.02 0.00 0.00 54.58 54.54 2o7o n ASN 165 Cb 1.20 0.22 -0.03 0.00 -2.36 0.00 0.00 39.78 38.81 2o7o n ASN 165 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2o7o n LEU 166 N -2.00 3.98 -4.78 -4.53 4.77 -0.61 -5.01 117.00 108.82 2o7o n LEU 166 Ca 0.03 1.09 -0.32 0.00 -0.03 0.00 0.00 56.01 56.78 2o7o n LEU 166 Cb 0.42 -1.56 0.06 0.00 -2.33 0.00 0.00 43.42 40.01 2o7o n LEU 166 CO 0.36 0.12 0.72 -2.16 -1.33 0.00 0.00 177.39 175.10 2o7o s PRO 167 N 0.68 2.71 0.15 3.23 0.04 -1.26 -4.81 135.00 135.75 2o7o s PRO 167 Ca 0.72 1.25 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 2o7o s PRO 167 Cb -0.52 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.09 2o7o s PRO 167 CO 0.37 -1.30 1.67 -1.00 0.04 0.00 0.00 177.00 176.78 2o7o h PRO 168 N -0.36 0.75 -0.65 0.56 0.13 -1.99 -1.05 132.00 129.39 2o7o h PRO 168 Ca -0.45 -0.16 -0.07 0.00 -0.87 0.00 0.00 66.00 64.44 2o7o h PRO 168 Cb 1.23 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2o7o h PRO 168 CO 0.54 0.71 0.14 -0.07 -0.23 0.00 0.00 178.00 179.09 2o7o h LEU 169 N 0.65 1.01 -0.17 1.56 3.38 -1.99 -1.24 115.31 118.51 2o7o h LEU 169 Ca 0.16 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2o7o h LEU 169 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2o7o h LEU 169 CO -0.00 0.99 0.08 0.25 0.09 0.00 0.00 178.44 179.85 2o7o h LEU 170 N 0.98 0.12 -0.36 1.67 5.85 -1.94 0.51 115.31 122.14 2o7o h LEU 170 Ca 0.20 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.01 2o7o h LEU 170 Cb 0.39 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 2o7o h LEU 170 CO 0.01 0.09 -0.13 -0.09 -0.34 0.00 0.00 178.44 177.98 2o7o h ARG 171 N 0.17 -0.06 -0.50 1.25 2.43 -1.02 0.35 114.38 117.02 2o7o h ARG 171 Ca 0.07 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2o7o h ARG 171 Cb 0.02 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2o7o h ARG 171 CO -0.05 -0.04 0.12 1.49 -1.51 0.00 0.00 179.97 179.98 2o7o h GLU 172 N -0.06 0.79 -0.69 0.20 4.81 -1.00 -2.26 114.58 116.38 2o7o h GLU 172 Ca 0.18 -0.19 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 2o7o h GLU 172 Cb 0.33 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 2o7o h GLU 172 CO -0.40 0.77 0.38 0.00 -0.73 0.00 0.00 179.01 179.02 2o7o h ALA 173 N 0.99 0.93 -0.59 2.92 0.00 0.71 -1.34 119.26 122.89 2o7o h ALA 173 Ca 0.16 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2o7o h ALA 173 Cb 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2o7o h ALA 173 CO 0.00 0.04 0.13 -0.07 0.00 0.00 0.00 179.25 179.36 2o7o h LEU 174 N 0.69 0.87 -0.33 0.00 -0.00 -0.15 0.31 115.31 116.69 2o7o h LEU 174 Ca 0.31 -0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 58.00 2o7o h LEU 174 Cb 0.22 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 2o7o h LEU 174 CO -0.20 0.86 0.13 1.56 -0.00 0.00 0.00 178.44 180.79 2o7o h GLN 175 N 0.89 0.50 -0.69 1.13 4.20 -0.78 -1.86 115.11 118.50 2o7o h GLN 175 Ca 0.19 -0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.87 2o7o h GLN 175 Cb 0.33 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 2o7o h GLN 175 CO 0.00 0.50 0.39 0.82 -0.67 0.00 0.00 178.83 179.87 2o7o h ILE 176 N 0.39 0.99 -0.78 2.54 2.04 -0.98 -1.27 117.51 120.44 2o7o h ILE 176 Ca 0.11 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2o7o h ILE 176 Cb 0.18 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 2o7o h ILE 176 CO -0.01 0.13 0.32 0.24 0.00 0.00 0.00 178.15 178.84 2o7o h MET 177 N 0.73 1.16 -0.73 2.37 2.86 -0.73 -2.33 114.93 118.25 2o7o h MET 177 Ca 0.30 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 2o7o h MET 177 Cb 0.17 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 2o7o h MET 177 CO -0.17 0.94 0.10 -0.25 1.06 0.00 0.00 176.91 178.59 2o7o n ASP 178 N -4.31 4.62 0.10 1.22 8.00 -0.72 -4.08 116.55 121.39 2o7o n ASP 178 Ca 0.07 -2.87 0.06 0.00 0.71 0.00 0.00 54.79 52.77 2o7o n ASP 178 Cb 0.18 -0.68 -0.00 0.00 -0.02 0.00 0.00 41.12 40.59 2o7o n ASP 178 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2o7o h SER 179 N 2.78 0.00 -1.34 -2.24 4.64 -0.67 -3.47 113.55 113.25 2o7o h SER 179 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2o7o h SER 179 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 2o7o h SER 179 CO 0.50 0.27 0.00 -0.90 -0.87 0.00 0.00 176.83 175.83 2o7o n ASP 180 N -2.88 0.00 -0.04 4.97 5.68 -1.26 -5.03 116.55 117.98 2o7o n ASP 180 Ca -0.03 -0.71 0.16 0.00 -0.50 0.00 0.00 54.79 53.71 2o7o n ASP 180 Cb 0.68 0.00 0.89 0.00 -1.14 0.00 0.00 41.12 41.55 2o7o n ASP 180 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2o7o n ASP 181 N -1.97 0.13 0.00 -1.12 5.75 -1.26 -4.82 116.55 113.26 2o7o n ASP 181 Ca 0.00 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 2o7o n ASP 181 Cb 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2o7o n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2o7o n GLY 182 N 1.05 0.83 0.23 6.12 0.00 -1.26 -4.88 105.19 107.27 2o7o n GLY 182 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 2o7o n GLY 182 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2o7o h GLU 183 N 1.88 0.74 -0.37 1.61 4.81 -1.95 -1.56 114.58 119.74 2o7o h GLU 183 Ca 0.00 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 2o7o h GLU 183 Cb 0.00 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2o7o h GLU 183 CO 0.00 0.74 0.20 0.37 -0.73 0.00 0.00 179.01 179.59 2o7o h GLN 184 N 0.62 0.52 -0.24 1.92 4.15 -1.96 -0.73 115.11 119.39 2o7o h GLN 184 Ca 0.14 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.40 2o7o h GLN 184 Cb 0.34 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2o7o h GLN 184 CO 0.00 0.44 -0.27 0.00 -1.93 0.00 0.00 178.83 177.07 2o7o h ALA 185 N 1.05 1.09 -0.11 3.38 0.00 -1.96 -1.76 119.26 120.95 2o7o h ALA 185 Ca 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2o7o h ALA 185 Cb 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2o7o h ALA 185 CO -0.02 0.56 0.02 0.35 0.00 0.00 0.00 179.25 180.16 2o7o h PHE 186 N 0.41 0.20 -0.48 0.00 3.57 -1.02 -1.77 116.94 117.84 2o7o h PHE 186 Ca 0.06 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2o7o h PHE 186 Cb 0.69 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 2o7o h PHE 186 CO 0.02 0.39 0.03 -0.07 -2.23 0.00 0.00 178.31 176.46 2o7o h LEU 187 N -0.04 0.74 -0.35 0.59 3.38 -0.91 0.75 115.31 119.47 2o7o h LEU 187 Ca 0.03 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2o7o h LEU 187 Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2o7o h LEU 187 CO 0.00 0.79 -0.03 -0.74 0.09 0.00 0.00 178.44 178.55 2o7o h HIS 188 N 0.73 0.70 -0.63 1.13 2.76 -1.26 -2.33 115.15 116.26 2o7o h HIS 188 Ca 0.15 -0.13 -0.06 0.00 -2.20 0.00 0.00 60.37 58.13 2o7o h HIS 188 Cb 0.40 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.16 2o7o h HIS 188 CO 0.02 0.76 0.18 0.78 -1.30 0.00 0.00 177.93 178.37 2o7o h GLY 189 N 0.44 1.06 0.63 5.26 0.00 -1.14 -2.12 103.07 107.19 2o7o h GLY 189 Ca 0.09 -0.65 0.06 0.00 0.00 0.00 0.00 47.33 46.84 2o7o h GLY 189 CO 0.02 0.60 0.32 -2.00 0.00 0.00 0.00 176.54 175.48 2o7o h LEU 190 N 0.91 0.44 -0.61 3.11 5.85 -0.74 -0.65 115.31 123.63 2o7o h LEU 190 Ca 0.20 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.83 2o7o h LEU 190 Cb 0.32 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2o7o h LEU 190 CO -0.00 0.28 -0.28 -0.33 -0.34 0.00 0.00 178.44 177.77 2o7o h GLU 191 N 0.58 0.80 -0.22 1.25 4.39 -1.08 -1.35 114.58 118.96 2o7o h GLU 191 Ca 0.28 -0.36 0.03 0.00 0.34 0.00 0.00 59.36 59.66 2o7o h GLU 191 Cb 0.22 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2o7o h GLU 191 CO -0.20 0.98 0.04 0.77 -1.16 0.00 0.00 179.01 179.44 2o7o h SER 192 N 0.69 -0.00 -0.15 1.42 0.02 -0.89 -1.33 113.55 113.31 2o7o h SER 192 Ca 0.08 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2o7o h SER 192 Cb 0.81 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 2o7o h SER 192 CO 0.07 0.03 0.07 0.25 -1.14 0.00 0.00 176.83 176.10 2o7o h LEU 193 N 0.12 0.19 -0.92 5.07 5.85 -0.88 -1.64 115.31 123.11 2o7o h LEU 193 Ca 0.10 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2o7o h LEU 193 Cb 0.10 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2o7o h LEU 193 CO -0.14 0.28 0.53 0.40 -0.34 0.00 0.00 178.44 179.17 2o7o h ILE 194 N 0.10 1.26 -0.48 4.05 2.04 -1.14 -1.88 117.51 121.45 2o7o h ILE 194 Ca 0.05 -0.60 -0.10 0.00 1.00 0.00 0.00 64.86 65.21 2o7o h ILE 194 Cb 0.14 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 2o7o h ILE 194 CO -0.01 0.28 -0.09 -0.09 0.00 0.00 0.00 178.15 178.25 2o7o h ARG 195 N 1.28 0.87 -0.72 2.37 9.65 -1.12 -1.73 114.38 124.98 2o7o h ARG 195 Ca 0.33 -0.29 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2o7o h ARG 195 Cb -0.02 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 2o7o h ARG 195 CO -0.06 0.93 0.32 0.78 2.80 0.00 0.00 179.97 184.74 2o7o h GLY 196 N 0.97 1.12 0.87 2.80 0.00 -1.02 0.11 103.07 107.93 2o7o h GLY 196 Ca 0.13 -0.57 0.03 0.00 0.00 0.00 0.00 47.33 46.93 2o7o h GLY 196 CO 0.04 0.54 0.43 0.74 0.00 0.00 0.00 176.54 178.28 2o7o h PHE 197 N 1.03 0.80 -0.20 5.60 0.04 -0.88 -1.72 116.94 121.61 2o7o h PHE 197 Ca 0.25 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.03 2o7o h PHE 197 Cb 0.15 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 2o7o h PHE 197 CO 0.01 0.46 0.11 1.49 -0.60 0.00 0.00 178.31 179.78 2o7o h GLU 198 N 0.84 0.28 -0.63 1.51 4.81 -0.43 0.25 114.58 121.20 2o7o h GLU 198 Ca 0.28 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.58 2o7o h GLU 198 Cb 0.02 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.27 2o7o h GLU 198 CO -0.11 0.27 0.19 0.28 -0.73 0.00 0.00 179.01 178.91 2o7o h VAL 199 N 0.21 0.69 -0.42 0.32 2.07 -0.82 -1.09 116.25 117.21 2o7o h VAL 199 Ca 0.07 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2o7o h VAL 199 Cb 0.07 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 2o7o h VAL 199 CO -0.01 0.06 0.05 -0.61 0.02 0.00 0.00 177.57 177.08 2o7o h GLN 200 N 0.34 0.70 -0.29 1.57 5.75 -0.99 -1.47 115.11 120.72 2o7o h GLN 200 Ca 0.33 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 2o7o h GLN 200 Cb 0.46 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 2o7o h GLN 200 CO -0.37 0.75 0.08 1.25 -2.65 0.00 0.00 178.83 177.89 2o7o h LEU 201 N 0.55 0.43 -0.13 -2.39 6.46 -0.30 -2.94 115.31 116.99 2o7o h LEU 201 Ca 0.12 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 57.62 2o7o h LEU 201 Cb 0.40 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 2o7o h LEU 201 CO 0.01 0.54 -0.21 0.71 -0.62 0.00 0.00 178.44 178.87 2o7o h THR 202 N 0.31 0.37 0.00 1.05 1.35 -1.17 -2.98 112.91 111.84 2o7o h THR 202 Ca 0.09 -1.46 -0.01 0.00 -0.55 0.00 0.00 66.41 64.48 2o7o h THR 202 Cb 0.27 2.13 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2o7o h THR 202 CO -0.00 0.21 -0.05 0.00 -0.25 0.00 0.00 175.52 175.42 2o7o h ALA 203 N 1.79 1.21 -0.31 6.62 0.00 -1.07 -3.47 119.26 124.03 2o7o h ALA 203 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2o7o h ALA 203 Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2o7o h ALA 203 CO 0.03 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.62 2o7o n LEU 204 N -3.45 0.00 0.01 0.00 4.77 -1.13 0.56 117.00 117.77 2o7o n LEU 204 Ca -0.02 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.08 2o7o n LEU 204 Cb 0.18 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.46 2o7o n LEU 204 CO 0.26 0.00 0.37 0.18 -1.33 0.00 0.00 177.39 176.87 2o7o n LEU 205 N 0.00 0.57 -4.74 2.23 4.32 -1.26 -4.93 117.00 113.18 2o7o n LEU 205 Ca 0.00 -0.03 -0.41 0.00 -0.02 0.00 0.00 56.01 55.55 2o7o n LEU 205 Cb 0.00 -0.21 -0.02 0.00 -1.62 0.00 0.00 43.42 41.57 2o7o n LEU 205 CO 0.00 0.12 1.15 -1.10 -1.22 0.00 0.00 177.39 176.33 2o7o s GLN 206 N -3.03 4.23 0.17 3.23 -1.52 0.19 -4.92 119.66 118.02 2o7o s GLN 206 Ca 0.10 2.37 -0.32 0.00 -1.95 0.00 0.00 55.36 55.56 2o7o s GLN 206 Cb 0.17 -3.10 -0.11 0.00 -0.22 0.00 0.00 33.01 29.75 2o7o s GLN 206 CO 0.72 -0.49 1.70 0.42 -0.25 0.00 0.00 175.29 177.40 2o7o s ILE 207 N 0.12 2.33 0.00 1.08 1.01 -1.26 -4.89 121.20 119.58 2o7o s ILE 207 Ca 0.61 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.42 2o7o s ILE 207 Cb -0.43 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 38.94 2o7o s ILE 207 CO 0.43 0.01 0.21 0.55 0.00 0.00 0.00 174.94 176.14