#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vpx n HIS 0 N 0.00 -0.12 -2.23 1.57 8.25 -1.26 -4.99 115.22 116.44 1vpx n HIS 0 Ca 0.00 0.48 -0.41 0.00 -0.26 0.00 0.00 57.72 57.53 1vpx n HIS 0 Cb 0.00 -2.03 -0.03 0.00 1.12 0.00 0.00 29.99 29.05 1vpx n HIS 0 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1vpx s MET 1 N -2.11 4.39 0.05 -0.41 -2.45 -1.26 -4.97 119.30 112.54 1vpx s MET 1 Ca 0.68 2.04 -0.06 0.00 -1.25 0.00 0.00 55.69 57.10 1vpx s MET 1 Cb -0.48 -3.20 -0.05 0.00 1.25 0.00 0.00 34.83 32.35 1vpx s MET 1 CO 0.54 -0.24 0.31 0.15 1.05 0.00 0.00 175.02 176.82 1vpx s LYS 2 N -0.14 3.61 -0.18 4.11 3.01 -0.53 -5.01 119.74 124.61 1vpx s LYS 2 Ca 0.56 -0.05 0.01 0.00 -1.01 0.00 0.00 55.97 55.48 1vpx s LYS 2 Cb -0.36 -3.02 0.02 0.00 -1.01 0.00 0.00 37.83 33.45 1vpx s LYS 2 CO 0.38 0.60 -0.20 0.42 0.51 0.00 0.00 175.35 177.07 1vpx s ILE 3 N -1.39 2.12 0.18 2.17 1.01 -1.26 -1.42 121.20 122.60 1vpx s ILE 3 Ca 0.31 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.07 1vpx s ILE 3 Cb -0.13 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1vpx s ILE 3 CO 0.19 0.54 0.26 -0.36 0.00 0.00 0.00 174.94 175.56 1vpx s PHE 4 N 1.22 3.37 -0.16 3.97 0.08 -0.45 -0.58 117.98 125.43 1vpx s PHE 4 Ca 0.03 0.04 -0.06 0.00 0.12 0.00 0.00 56.93 57.06 1vpx s PHE 4 Cb -0.13 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 1vpx s PHE 4 CO -0.11 0.50 0.05 -0.51 -0.10 0.00 0.00 175.22 175.05 1vpx s LEU 5 N -3.38 3.75 -0.99 -0.37 1.43 -0.71 -1.76 118.68 116.64 1vpx s LEU 5 Ca 0.33 0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 53.29 1vpx s LEU 5 Cb -0.10 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 44.24 1vpx s LEU 5 CO 0.27 0.22 1.41 -1.81 0.23 0.00 0.00 176.35 176.67 1vpx s ASP 6 N 0.11 6.48 0.00 2.29 1.01 0.56 -0.77 116.67 126.35 1vpx s ASP 6 Ca 0.04 -1.43 -0.29 0.00 0.71 0.00 0.00 52.55 51.59 1vpx s ASP 6 Cb -0.12 -2.55 0.10 0.00 1.01 0.00 0.00 42.92 41.35 1vpx s ASP 6 CO 0.01 -1.50 0.92 0.28 0.21 0.00 0.00 175.17 175.09 1vpx s THR 7 N 4.84 0.00 0.00 -1.27 -1.32 -0.98 -4.48 115.64 112.44 1vpx s THR 7 Ca 0.44 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.85 1vpx s THR 7 Cb -0.01 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 1vpx s THR 7 CO -0.08 0.00 0.84 0.00 -2.21 0.00 0.00 174.62 173.17 1vpx n ALA 8 N -0.26 1.83 -2.65 11.08 0.00 -1.26 -4.46 120.51 124.78 1vpx n ALA 8 Ca -0.08 -0.84 -0.42 0.00 0.00 0.00 0.00 53.44 52.10 1vpx n ALA 8 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1vpx n ALA 8 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1vpx s ASN 9 N -0.70 6.99 0.31 0.00 3.84 -1.26 -4.95 114.94 119.18 1vpx s ASN 9 Ca 0.00 1.24 0.16 0.00 0.21 0.00 0.00 52.86 54.47 1vpx s ASN 9 Cb 0.00 -2.49 0.33 0.00 -0.55 0.00 0.00 41.25 38.54 1vpx s ASN 9 CO 0.00 -0.58 1.57 0.17 -2.79 0.00 0.00 177.10 175.46 1vpx h LEU 10 N 9.22 0.00 -0.11 3.21 8.10 -1.99 -2.53 115.31 131.22 1vpx h LEU 10 Ca -0.22 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.75 1vpx h LEU 10 Cb 1.08 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.30 1vpx h LEU 10 CO 0.92 0.47 -0.04 1.05 -4.11 0.00 0.00 178.44 176.74 1vpx h GLU 11 N 0.00 0.22 -0.30 0.17 -0.00 -1.99 -0.23 114.58 112.45 1vpx h GLU 11 Ca -0.00 -0.09 -0.07 0.00 -0.00 0.00 0.00 59.36 59.19 1vpx h GLU 11 Cb 1.19 -0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 29.91 1vpx h GLU 11 CO 0.06 0.55 -0.12 1.05 -0.00 0.00 0.00 179.01 180.55 1vpx h GLU 12 N -0.12 0.51 -0.48 1.06 4.11 -1.97 -1.00 114.58 116.69 1vpx h GLU 12 Ca 0.03 -0.15 -0.08 0.00 0.07 0.00 0.00 59.36 59.23 1vpx h GLU 12 Cb 0.47 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1vpx h GLU 12 CO 0.01 0.63 -0.01 0.82 0.07 0.00 0.00 179.01 180.53 1vpx h ILE 13 N 0.47 1.26 -0.62 -1.06 2.04 -1.42 -0.97 117.51 117.21 1vpx h ILE 13 Ca 0.09 -1.08 0.06 0.00 1.00 0.00 0.00 64.86 64.93 1vpx h ILE 13 Cb 0.49 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 1vpx h ILE 13 CO 0.03 0.38 0.32 0.07 0.00 0.00 0.00 178.15 178.95 1vpx h LYS 14 N 0.71 0.58 -0.38 2.37 5.09 -0.53 -0.14 116.57 124.26 1vpx h LYS 14 Ca 0.13 -0.03 -0.03 0.00 0.09 0.00 0.00 60.65 60.81 1vpx h LYS 14 Cb 0.52 -0.13 -0.02 0.00 0.10 0.00 0.00 32.23 32.71 1vpx h LYS 14 CO 0.03 0.38 0.10 0.87 -2.09 0.00 0.00 179.45 178.74 1vpx h LYS 15 N 0.59 0.60 -0.68 0.07 1.57 -0.97 0.17 116.57 117.92 1vpx h LYS 15 Ca 0.28 -0.14 0.09 0.00 -1.87 0.00 0.00 60.65 59.02 1vpx h LYS 15 Cb 0.21 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 1vpx h LYS 15 CO -0.20 0.63 0.31 0.78 -0.57 0.00 0.00 179.45 180.40 1vpx h GLY 16 N 0.47 1.00 1.54 3.86 0.00 -0.65 -0.17 103.07 109.12 1vpx h GLY 16 Ca 0.12 -0.19 -0.25 0.00 0.00 0.00 0.00 47.33 47.02 1vpx h GLY 16 CO -0.00 0.03 -1.05 -0.39 0.00 0.00 0.00 176.54 175.13 1vpx h VAL 17 N 0.54 1.42 -0.93 4.60 -1.51 -0.59 -2.54 116.25 117.24 1vpx h VAL 17 Ca 0.34 -2.61 0.13 0.00 -1.23 0.00 0.00 66.70 63.33 1vpx h VAL 17 Cb 0.38 2.59 -0.09 0.00 -2.13 0.00 0.00 31.29 32.04 1vpx h VAL 17 CO -0.28 0.78 0.54 -0.33 -1.23 0.00 0.00 177.57 177.05 1vpx h GLU 18 N 0.19 0.80 0.00 5.19 5.08 -0.20 0.16 114.58 125.81 1vpx h GLU 18 Ca -0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1vpx h GLU 18 Cb 1.72 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1vpx h GLU 18 CO 0.18 0.53 0.00 -1.49 -1.00 0.00 0.00 179.01 177.23 1vpx h TRP 19 N 0.82 0.00 -1.35 4.33 6.55 -0.98 -3.47 115.95 121.85 1vpx h TRP 19 Ca 0.48 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 60.18 1vpx h TRP 19 Cb 0.56 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.87 1vpx h TRP 19 CO -0.04 0.00 -0.19 0.41 -1.05 0.00 0.00 178.44 177.57 1vpx n GLY 20 N 0.63 0.16 0.00 1.49 0.00 0.04 -4.92 105.19 102.60 1vpx n GLY 20 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1vpx n GLY 20 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1vpx n ILE 21 N -3.86 0.00 -3.74 -0.61 5.41 -1.00 -4.99 119.36 110.57 1vpx n ILE 21 Ca -0.06 -0.07 -0.37 0.00 1.00 0.00 0.00 62.75 63.25 1vpx n ILE 21 Cb 0.55 0.54 -0.12 0.00 -0.71 0.00 0.00 39.64 39.91 1vpx n ILE 21 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1vpx s VAL 22 N -1.67 4.72 -0.44 1.39 1.01 -1.10 -4.28 120.40 120.03 1vpx s VAL 22 Ca 0.00 -0.04 0.18 0.00 0.00 0.00 0.00 61.98 62.12 1vpx s VAL 22 Cb 0.00 -3.21 -0.24 0.00 0.00 0.00 0.00 36.38 32.93 1vpx s VAL 22 CO 0.00 0.33 0.58 0.47 0.00 0.00 0.00 175.10 176.48 1vpx n ASP 23 N 4.73 0.81 -2.35 3.32 8.00 0.25 -4.65 116.55 126.66 1vpx n ASP 23 Ca -0.16 -0.46 -0.01 0.00 0.71 0.00 0.00 54.79 54.88 1vpx n ASP 23 Cb 0.52 1.42 0.01 0.00 -0.02 0.00 0.00 41.12 43.05 1vpx n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vpx n GLY 24 N 1.44 0.77 2.93 0.44 0.00 -1.23 -3.70 105.19 105.83 1vpx n GLY 24 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1vpx n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vpx s VAL 25 N -2.23 -0.00 -0.07 1.61 1.01 0.20 -1.74 120.40 119.18 1vpx s VAL 25 Ca 0.14 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.16 1vpx s VAL 25 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.26 1vpx s VAL 25 CO 0.02 0.00 -0.19 0.42 0.00 0.00 0.00 175.10 175.36 1vpx s THR 26 N 0.08 2.63 0.31 3.92 -4.23 0.05 -0.99 115.64 117.40 1vpx s THR 26 Ca -0.00 -0.85 0.05 0.00 -1.18 0.00 0.00 61.69 59.70 1vpx s THR 26 Cb -0.01 -2.02 -0.06 0.00 1.34 0.00 0.00 72.50 71.74 1vpx s THR 26 CO -0.00 0.56 0.02 0.28 -0.54 0.00 0.00 174.62 174.94 1vpx s THR 27 N -0.20 1.33 0.07 3.99 -1.32 -0.81 -2.31 115.64 116.38 1vpx s THR 27 Ca -0.01 -2.04 -0.22 0.00 -1.21 0.00 0.00 61.69 58.21 1vpx s THR 27 Cb -0.13 -2.67 0.05 0.00 -1.51 0.00 0.00 72.50 68.24 1vpx s THR 27 CO 0.03 -0.12 0.53 0.54 -2.21 0.00 0.00 174.62 173.40 1vpx s ASN 28 N -3.47 -0.45 0.54 8.08 4.22 -1.26 -4.57 114.94 118.03 1vpx s ASN 28 Ca 0.34 0.12 0.25 0.00 -2.14 0.00 0.00 52.86 51.43 1vpx s ASN 28 Cb 0.07 0.51 1.40 0.00 1.28 0.00 0.00 41.25 44.52 1vpx s ASN 28 CO 0.14 -0.77 2.02 -0.65 -2.04 0.00 0.00 177.10 175.80 1vpx h PRO 29 N 2.63 0.00 0.91 3.55 0.11 -1.98 -2.56 132.00 134.65 1vpx h PRO 29 Ca -0.31 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 1vpx h PRO 29 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1vpx h PRO 29 CO 0.41 0.00 -0.49 1.15 -0.21 0.00 0.00 178.00 178.86 1vpx h THR 30 N 0.00 0.00 0.00 -1.15 2.02 -2.05 -2.35 112.91 109.38 1vpx h THR 30 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.39 1vpx h THR 30 Cb 0.87 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1vpx h THR 30 CO -0.00 0.00 0.11 0.18 0.37 0.00 0.00 175.52 176.18 1vpx n LEU 31 N -5.62 0.00 0.00 2.58 4.77 -0.97 -5.12 117.00 112.64 1vpx n LEU 31 Ca -0.16 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1vpx n LEU 31 Cb 0.52 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1vpx n LEU 31 CO 0.38 -0.14 0.00 -0.38 -1.33 0.00 0.00 177.39 175.92 1vpx n ILE 32 N -1.03 0.00 0.00 -0.08 5.41 -0.89 -4.28 119.36 118.50 1vpx n ILE 32 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1vpx n ILE 32 Cb 0.11 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 1vpx n ILE 32 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1vpx n PHE 39 N 0.00 0.00 -0.34 1.39 7.35 -1.26 -5.09 117.46 119.51 1vpx n PHE 39 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1vpx n PHE 39 Cb 0.00 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.78 1vpx n PHE 39 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1vpx h LYS 40 N 0.00 -0.08 -1.00 -4.13 1.57 -2.03 0.67 116.57 111.57 1vpx h LYS 40 Ca 0.00 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 1vpx h LYS 40 Cb 0.00 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.24 1vpx h LYS 40 CO 0.00 -0.05 0.63 1.96 -0.57 0.00 0.00 179.45 181.41 1vpx h GLN 41 N -0.08 0.93 -0.25 3.15 4.20 -2.03 0.24 115.11 121.26 1vpx h GLN 41 Ca 0.21 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 1vpx h GLN 41 Cb 0.51 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 1vpx h GLN 41 CO -0.87 0.61 -0.24 -0.09 -0.67 0.00 0.00 178.83 177.57 1vpx h ARG 42 N 0.95 0.60 -0.80 1.46 9.65 -0.39 0.26 114.38 126.11 1vpx h ARG 42 Ca 0.51 -0.31 0.11 0.00 -1.10 0.00 0.00 59.98 59.18 1vpx h ARG 42 Cb 0.56 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.07 1vpx h ARG 42 CO -0.29 0.91 0.43 0.28 2.80 0.00 0.00 179.97 184.10 1vpx h VAL 43 N 0.31 0.85 -0.28 0.20 2.07 0.77 0.13 116.25 120.30 1vpx h VAL 43 Ca 0.04 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1vpx h VAL 43 Cb 0.79 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1vpx h VAL 43 CO 0.06 0.13 0.12 0.50 0.02 0.00 0.00 177.57 178.40 1vpx h LYS 44 N 0.70 0.40 -0.92 1.57 3.11 -0.14 -1.07 116.57 120.23 1vpx h LYS 44 Ca 0.40 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 58.16 1vpx h LYS 44 Cb 0.43 -0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.54 1vpx h LYS 44 CO -0.28 0.40 0.53 0.93 -2.81 0.00 0.00 179.45 178.23 1vpx h GLU 45 N 0.31 1.27 -0.42 1.90 5.08 0.20 -1.52 114.58 121.39 1vpx h GLU 45 Ca 0.09 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1vpx h GLU 45 Cb 0.14 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1vpx h GLU 45 CO -0.01 0.90 -0.02 0.82 -1.00 0.00 0.00 179.01 179.70 1vpx h ILE 46 N 1.28 1.26 -0.32 3.13 2.04 -0.61 -2.17 117.51 122.12 1vpx h ILE 46 Ca 0.33 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 65.17 1vpx h ILE 46 Cb -0.02 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1vpx h ILE 46 CO -0.06 0.36 0.05 0.00 0.00 0.00 0.00 178.15 178.50 1vpx h ASP 48 N 0.16 0.80 0.03 0.00 2.03 -1.17 0.71 116.42 118.98 1vpx h ASP 48 Ca 0.15 -0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1vpx h ASP 48 Cb 0.17 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1vpx h ASP 48 CO -0.21 0.54 -0.01 0.25 -1.03 0.00 0.00 179.24 178.77 1vpx h LEU 49 N 0.92 -0.03 0.00 0.15 6.46 -0.73 -3.36 115.31 118.71 1vpx h LEU 49 Ca 0.32 -0.61 -0.13 0.00 -0.12 0.00 0.00 57.88 57.34 1vpx h LEU 49 Cb 0.12 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 1vpx h LEU 49 CO -0.10 0.74 -0.81 1.62 -0.62 0.00 0.00 178.44 179.26 1vpx h VAL 50 N -0.95 0.81 -6.69 1.05 3.04 -0.99 -3.48 116.25 109.03 1vpx h VAL 50 Ca -0.00 -2.23 -0.54 0.00 -1.01 0.00 0.00 66.70 62.92 1vpx h VAL 50 Cb 0.65 2.33 -0.07 0.00 -2.01 0.00 0.00 31.29 32.19 1vpx h VAL 50 CO 0.01 0.46 -0.94 2.29 -1.01 0.00 0.00 177.57 178.38 1vpx n LYS 51 N -3.13 -1.86 -2.90 4.17 2.85 0.24 -4.83 118.16 112.70 1vpx n LYS 51 Ca -0.02 0.27 -0.04 0.00 -1.05 0.00 0.00 58.31 57.48 1vpx n LYS 51 Cb 0.78 -3.89 0.02 0.00 -0.65 0.00 0.00 35.03 31.29 1vpx n LYS 51 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vpx n GLY 52 N -2.13 1.09 3.69 2.58 0.00 -1.26 -5.03 105.19 104.14 1vpx n GLY 52 Ca -0.25 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 1vpx n GLY 52 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1vpx s PRO 53 N -2.04 4.14 -0.27 1.61 0.02 -1.24 -4.76 135.00 132.44 1vpx s PRO 53 Ca 0.13 2.60 0.03 0.00 0.02 0.00 0.00 61.00 63.77 1vpx s PRO 53 Cb -0.02 -3.57 0.07 0.00 0.02 0.00 0.00 34.50 31.00 1vpx s PRO 53 CO 0.06 -0.84 -0.07 0.08 -0.33 0.00 0.00 177.00 175.90 1vpx s VAL 54 N 2.66 2.09 0.02 3.83 1.01 -0.53 -0.62 120.40 128.86 1vpx s VAL 54 Ca 0.81 -1.72 -0.25 0.00 0.00 0.00 0.00 61.98 60.81 1vpx s VAL 54 Cb -0.46 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 1vpx s VAL 54 CO 0.36 -0.16 0.78 -0.94 0.00 0.00 0.00 175.10 175.14 1vpx s SER 55 N 1.10 7.18 -0.01 3.32 1.04 -0.16 -0.74 113.70 125.43 1vpx s SER 55 Ca -0.04 1.42 0.01 0.00 0.48 0.00 0.00 55.95 57.81 1vpx s SER 55 Cb -0.20 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1vpx s SER 55 CO -0.06 -0.04 -0.02 0.00 0.98 0.00 0.00 173.24 174.10 1vpx s ALA 56 N 0.23 0.23 0.31 5.32 0.00 0.22 -1.92 121.76 126.15 1vpx s ALA 56 Ca 0.40 -0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 1vpx s ALA 56 Cb -0.20 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 1vpx s ALA 56 CO 0.23 0.04 0.70 -1.21 0.00 0.00 0.00 175.76 175.51 1vpx s GLU 57 N 0.07 3.93 0.37 0.00 2.02 -1.26 -0.63 118.70 123.20 1vpx s GLU 57 Ca -0.00 0.55 -0.00 0.00 0.02 0.00 0.00 54.97 55.54 1vpx s GLU 57 Cb -0.03 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 1vpx s GLU 57 CO -0.00 0.16 0.58 0.14 0.02 0.00 0.00 175.26 176.16 1vpx s VAL 58 N -2.00 5.05 -0.12 2.63 -7.23 -1.24 -4.91 120.40 112.56 1vpx s VAL 58 Ca 0.52 -0.39 -0.27 0.00 -1.81 0.00 0.00 61.98 60.04 1vpx s VAL 58 Cb -0.10 -3.85 -0.23 0.00 0.56 0.00 0.00 36.38 32.75 1vpx s VAL 58 CO 0.20 -0.59 0.77 0.58 -0.31 0.00 0.00 175.10 175.75 1vpx h VAL 59 N 0.68 1.62 -4.23 1.32 2.07 -1.96 -3.48 116.25 112.27 1vpx h VAL 59 Ca -0.49 -2.12 -0.50 0.00 0.82 0.00 0.00 66.70 64.41 1vpx h VAL 59 Cb 1.22 3.01 0.08 0.00 -1.52 0.00 0.00 31.29 34.08 1vpx h VAL 59 CO 0.61 0.53 0.37 -0.55 0.02 0.00 0.00 177.57 178.55 1vpx s SER 60 N -6.11 5.51 -0.00 0.57 0.15 -1.26 -4.99 113.70 107.57 1vpx s SER 60 Ca -0.17 1.81 0.06 0.00 0.70 0.00 0.00 55.95 58.34 1vpx s SER 60 Cb -0.02 -2.53 -0.08 0.00 -1.71 0.00 0.00 66.02 61.68 1vpx s SER 60 CO 0.64 -1.36 0.17 0.18 1.20 0.00 0.00 173.24 174.08 1vpx n LEU 61 N -2.40 0.12 -4.81 3.45 4.77 -1.26 -4.54 117.00 112.32 1vpx n LEU 61 Ca 0.09 -0.22 -0.33 0.00 -0.03 0.00 0.00 56.01 55.51 1vpx n LEU 61 Cb 0.53 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1vpx n LEU 61 CO 0.49 0.03 0.67 1.51 -1.33 0.00 0.00 177.39 178.76 1vpx s ASP 62 N -2.15 6.71 0.17 -1.43 1.47 -1.26 -4.71 116.67 115.47 1vpx s ASP 62 Ca -0.00 1.75 -0.14 0.00 1.18 0.00 0.00 52.55 55.34 1vpx s ASP 62 Cb 0.04 -2.54 0.13 0.00 -0.34 0.00 0.00 42.92 40.20 1vpx s ASP 62 CO 0.23 -0.52 1.74 0.22 0.68 0.00 0.00 175.17 177.52 1vpx h TYR 63 N 1.69 0.22 0.05 2.11 3.20 -1.95 -0.13 116.97 122.16 1vpx h TYR 63 Ca -0.49 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.40 1vpx h TYR 63 Cb 1.19 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1vpx h TYR 63 CO 0.61 0.06 -0.02 0.93 -1.64 0.00 0.00 178.16 178.09 1vpx h GLU 64 N 0.28 -0.06 -0.57 1.82 3.07 -1.93 -2.03 114.58 115.15 1vpx h GLU 64 Ca 0.21 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.00 1vpx h GLU 64 Cb 0.23 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1vpx h GLU 64 CO -0.24 -0.03 0.08 0.78 -1.40 0.00 0.00 179.01 178.20 1vpx h GLY 65 N -0.08 1.01 0.98 -3.84 0.00 -1.92 -0.94 103.07 98.28 1vpx h GLY 65 Ca -0.01 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.67 1vpx h GLY 65 CO 0.01 0.60 0.25 -0.33 0.00 0.00 0.00 176.54 177.07 1vpx h MET 66 N 0.88 0.56 -0.09 4.80 2.86 -0.87 -1.78 114.93 121.28 1vpx h MET 66 Ca 0.18 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1vpx h MET 66 Cb 0.41 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1vpx h MET 66 CO 0.01 0.42 0.00 0.28 1.06 0.00 0.00 176.91 178.68 1vpx h VAL 67 N 0.54 1.25 -0.43 -2.22 2.07 -1.21 -0.29 116.25 115.97 1vpx h VAL 67 Ca 0.15 -0.78 0.09 0.00 0.82 0.00 0.00 66.70 66.97 1vpx h VAL 67 Cb 0.00 1.60 -0.09 0.00 -1.52 0.00 0.00 31.29 31.28 1vpx h VAL 67 CO -0.03 0.22 -0.19 -0.09 0.02 0.00 0.00 177.57 177.50 1vpx h ARG 68 N -0.12 -0.10 -0.17 1.57 2.43 -1.14 -1.77 114.38 115.08 1vpx h ARG 68 Ca 0.02 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.01 1vpx h ARG 68 Cb 0.34 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1vpx h ARG 68 CO 0.00 -0.07 -0.67 0.93 -1.51 0.00 0.00 179.97 178.65 1vpx h GLU 69 N -0.10 0.67 -0.60 0.20 5.08 -1.26 -2.90 114.58 115.67 1vpx h GLU 69 Ca 0.21 -0.50 0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1vpx h GLU 69 Cb 0.43 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 1vpx h GLU 69 CO -0.50 1.12 0.32 0.00 -1.00 0.00 0.00 179.01 178.95 1vpx h ALA 70 N 0.76 0.79 -0.70 3.43 0.00 -0.80 0.12 119.26 122.86 1vpx h ALA 70 Ca -0.02 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1vpx h ALA 70 Cb 1.27 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1vpx h ALA 70 CO 0.13 -0.01 0.28 0.00 0.00 0.00 0.00 179.25 179.65 1vpx h ARG 71 N 0.60 1.03 -0.15 0.00 3.08 -1.26 0.11 114.38 117.80 1vpx h ARG 71 Ca 0.27 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1vpx h ARG 71 Cb 0.16 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1vpx h ARG 71 CO -0.17 0.84 -0.03 0.93 -1.07 0.00 0.00 179.97 180.46 1vpx h GLU 72 N 1.01 0.29 -0.46 0.04 5.08 -1.14 -2.90 114.58 116.51 1vpx h GLU 72 Ca 0.24 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1vpx h GLU 72 Cb 0.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1vpx h GLU 72 CO -0.02 0.56 0.05 -0.07 -1.00 0.00 0.00 179.01 178.53 1vpx h LEU 73 N -0.00 0.69 -1.50 1.33 3.38 -0.55 -2.75 115.31 115.90 1vpx h LEU 73 Ca 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1vpx h LEU 73 Cb 0.45 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1vpx h LEU 73 CO 0.01 0.72 0.20 0.00 0.09 0.00 0.00 178.44 179.46 1vpx h ALA 74 N 1.36 1.62 0.00 1.53 0.00 -0.75 -2.27 119.26 120.75 1vpx h ALA 74 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vpx h ALA 74 Cb 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1vpx h ALA 74 CO 0.01 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1vpx n GLN 75 N -4.42 0.17 -0.20 0.00 10.64 -1.04 -3.04 117.38 119.50 1vpx n GLN 75 Ca 0.03 0.48 -0.08 0.00 -1.83 0.00 0.00 57.00 55.59 1vpx n GLN 75 Cb 0.11 -1.88 0.02 0.00 -0.86 0.00 0.00 30.24 27.62 1vpx n GLN 75 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1vpx h ILE 76 N 0.00 1.24 -1.68 -0.39 2.04 -1.51 -3.46 117.51 113.74 1vpx h ILE 76 Ca 0.00 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.09 1vpx h ILE 76 Cb 0.26 0.71 -0.22 0.00 -0.74 0.00 0.00 36.82 36.83 1vpx h ILE 76 CO 0.00 0.30 0.44 -0.55 0.00 0.00 0.00 178.15 178.34 1vpx s SER 77 N -6.16 -0.46 0.63 1.72 0.15 -1.17 -4.96 113.70 103.46 1vpx s SER 77 Ca -0.13 0.58 0.38 0.00 0.70 0.00 0.00 55.95 57.49 1vpx s SER 77 Cb 0.12 0.48 2.17 0.00 -1.71 0.00 0.00 66.02 67.08 1vpx s SER 77 CO 0.80 -0.37 2.32 1.05 1.20 0.00 0.00 173.24 178.24 1vpx h GLU 78 N 2.98 0.00 0.00 5.44 4.11 -1.91 -2.63 114.58 122.57 1vpx h GLU 78 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1vpx h GLU 78 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1vpx h GLU 78 CO 0.29 0.00 -0.29 0.66 0.07 0.00 0.00 179.01 179.74 1vpx n TYR 79 N -3.39 0.48 -2.17 2.06 4.01 -1.26 -4.90 117.16 111.98 1vpx n TYR 79 Ca -0.03 0.14 -0.42 0.00 -0.16 0.00 0.00 57.90 57.43 1vpx n TYR 79 Cb 0.08 -0.65 -0.03 0.00 -0.31 0.00 0.00 39.34 38.43 1vpx n TYR 79 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1vpx s VAL 80 N -3.09 3.24 -0.09 -0.72 0.11 -0.99 -1.45 120.40 117.41 1vpx s VAL 80 Ca 0.10 0.93 0.04 0.00 -2.93 0.00 0.00 61.98 60.12 1vpx s VAL 80 Cb 0.15 -3.60 -0.01 0.00 -1.53 0.00 0.00 36.38 31.39 1vpx s VAL 80 CO 0.64 0.10 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.60 1vpx s VAL 81 N 0.76 2.26 -0.23 2.04 1.01 0.08 -4.63 120.40 121.69 1vpx s VAL 81 Ca 0.62 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 61.44 1vpx s VAL 81 Cb -0.37 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1vpx s VAL 81 CO 0.33 0.56 0.56 -0.63 0.00 0.00 0.00 175.10 175.92 1vpx s ILE 82 N 0.12 5.05 -0.08 2.22 1.09 -0.45 -0.61 121.20 128.54 1vpx s ILE 82 Ca -0.11 1.02 -0.30 0.00 -1.10 0.00 0.00 60.65 60.16 1vpx s ILE 82 Cb -0.16 -3.88 -0.03 0.00 -1.06 0.00 0.00 42.46 37.33 1vpx s ILE 82 CO 0.06 0.11 1.23 -0.54 -0.10 0.00 0.00 174.94 175.70 1vpx s LYS 83 N 2.05 4.32 -0.10 2.79 1.02 0.20 -0.06 119.74 129.96 1vpx s LYS 83 Ca 0.25 1.69 0.02 0.00 0.02 0.00 0.00 55.97 57.95 1vpx s LYS 83 Cb -0.16 -3.61 0.01 0.00 -0.52 0.00 0.00 37.83 33.56 1vpx s LYS 83 CO 0.09 -0.51 -0.17 0.42 -0.92 0.00 0.00 175.35 174.26 1vpx s ILE 84 N 2.51 1.58 0.44 2.17 -1.09 -0.12 -3.73 121.20 122.97 1vpx s ILE 84 Ca 0.56 -0.71 -0.24 0.00 -2.23 0.00 0.00 60.65 58.03 1vpx s ILE 84 Cb -0.24 -1.42 -0.08 0.00 -1.58 0.00 0.00 42.46 39.14 1vpx s ILE 84 CO 0.21 0.46 1.16 -2.16 -1.23 0.00 0.00 174.94 173.37 1vpx s PRO 85 N 0.75 3.87 -0.88 2.79 0.04 -1.26 -0.10 135.00 140.20 1vpx s PRO 85 Ca -0.11 1.77 -0.25 0.00 0.04 0.00 0.00 61.00 62.45 1vpx s PRO 85 Cb -0.16 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 1vpx s PRO 85 CO 0.02 -0.46 1.86 1.41 0.04 0.00 0.00 177.00 179.87 1vpx s MET 86 N -2.58 2.70 0.10 4.56 1.75 -0.44 -4.40 119.30 120.99 1vpx s MET 86 Ca 0.61 -0.30 -0.06 0.00 -1.25 0.00 0.00 55.69 54.70 1vpx s MET 86 Cb -0.29 -5.01 -0.02 0.00 2.84 0.00 0.00 34.83 32.36 1vpx s MET 86 CO 0.35 -3.14 0.15 0.95 -0.65 0.00 0.00 175.02 172.67 1vpx s THR 87 N 9.27 0.13 0.18 10.11 -4.23 -1.26 -5.00 115.64 124.83 1vpx s THR 87 Ca 0.66 -1.47 -0.23 0.00 -1.18 0.00 0.00 61.69 59.48 1vpx s THR 87 Cb -0.06 -1.60 0.08 0.00 1.34 0.00 0.00 72.50 72.26 1vpx s THR 87 CO 0.01 -0.61 1.58 -0.65 -0.54 0.00 0.00 174.62 174.41 1vpx h PRO 88 N 2.80 -0.20 -0.92 3.99 0.11 -1.99 0.87 132.00 136.66 1vpx h PRO 88 Ca -0.34 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.81 1vpx h PRO 88 Cb 1.19 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 1vpx h PRO 88 CO 0.57 -0.13 0.61 -0.44 -0.21 0.00 0.00 178.00 178.39 1vpx h ASP 89 N -0.21 1.03 -0.83 -2.05 3.32 -1.94 -0.52 116.42 115.22 1vpx h ASP 89 Ca 0.20 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1vpx h ASP 89 Cb 0.55 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1vpx h ASP 89 CO -0.64 0.73 0.45 1.23 -1.72 0.00 0.00 179.24 179.30 1vpx h GLY 90 N 1.21 1.24 1.21 2.75 0.00 -1.53 0.05 103.07 108.00 1vpx h GLY 90 Ca 0.35 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 1vpx h GLY 90 CO -0.09 0.54 -0.36 -2.22 0.00 0.00 0.00 176.54 174.41 1vpx h ILE 91 N 1.15 1.28 -0.58 2.60 1.08 -0.35 -1.04 117.51 121.65 1vpx h ILE 91 Ca 0.29 -1.53 0.02 0.00 -0.39 0.00 0.00 64.86 63.24 1vpx h ILE 91 Cb 0.03 1.37 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 1vpx h ILE 91 CO -0.05 0.51 0.37 0.50 -0.69 0.00 0.00 178.15 178.79 1vpx h LYS 92 N 0.72 0.72 -0.77 2.37 1.63 -0.89 -2.04 116.57 118.31 1vpx h LYS 92 Ca 0.07 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 1vpx h LYS 92 Cb 0.93 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.37 1vpx h LYS 92 CO 0.09 0.48 0.35 0.00 -3.45 0.00 0.00 179.45 176.91 1vpx h ALA 93 N 1.23 0.99 -0.73 5.00 0.00 -0.73 -2.44 119.26 122.58 1vpx h ALA 93 Ca 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1vpx h ALA 93 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1vpx h ALA 93 CO -0.07 0.57 0.42 0.28 0.00 0.00 0.00 179.25 180.46 1vpx h VAL 94 N 1.09 1.22 -0.26 0.00 2.07 -0.94 0.25 116.25 119.68 1vpx h VAL 94 Ca 0.26 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1vpx h VAL 94 Cb 0.15 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1vpx h VAL 94 CO -0.03 0.23 0.06 0.50 0.02 0.00 0.00 177.57 178.35 1vpx h LYS 95 N 1.01 0.16 -0.06 1.57 3.11 -1.12 0.48 116.57 121.72 1vpx h LYS 95 Ca 0.26 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.08 1vpx h LYS 95 Cb 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.19 1vpx h LYS 95 CO -0.05 0.11 -0.00 1.15 -2.81 0.00 0.00 179.45 177.85 1vpx h THR 96 N 0.17 1.26 -0.44 1.00 2.02 -1.08 -2.83 112.91 113.01 1vpx h THR 96 Ca 0.12 -0.82 -0.11 0.00 0.77 0.00 0.00 66.41 66.38 1vpx h THR 96 Cb 0.11 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1vpx h THR 96 CO -0.15 0.22 -0.15 -0.07 0.37 0.00 0.00 175.52 175.74 1vpx h LEU 97 N -0.20 0.83 -0.48 2.58 3.38 -0.42 -2.69 115.31 118.31 1vpx h LEU 97 Ca 0.02 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.74 1vpx h LEU 97 Cb 0.36 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1vpx h LEU 97 CO 0.00 0.98 0.27 0.28 0.09 0.00 0.00 178.44 180.07 1vpx h SER 98 N 0.74 0.42 0.08 -0.43 0.02 -0.94 -0.51 113.55 112.93 1vpx h SER 98 Ca 0.11 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1vpx h SER 98 Cb 0.66 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1vpx h SER 98 CO 0.05 0.30 -0.02 0.00 -1.14 0.00 0.00 176.83 176.01 1vpx h ALA 99 N 1.23 1.42 -0.37 3.77 0.00 -1.23 -1.05 119.26 123.03 1vpx h ALA 99 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1vpx h ALA 99 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1vpx h ALA 99 CO -0.11 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.56 1vpx n GLU 100 N -3.72 2.09 -1.27 0.00 1.02 -0.75 -4.95 120.64 113.06 1vpx n GLU 100 Ca -0.03 -1.67 -0.09 0.00 -0.02 0.00 0.00 57.16 55.35 1vpx n GLU 100 Cb 0.11 -1.41 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 1vpx n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vpx n GLY 101 N 1.28 1.08 3.66 0.62 0.00 -0.40 -5.01 105.19 106.43 1vpx n GLY 101 Ca 0.17 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 1vpx n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vpx s ILE 102 N -2.34 5.23 0.32 -0.61 1.01 -0.27 -5.02 121.20 119.52 1vpx s ILE 102 Ca 0.00 0.59 -0.28 0.00 0.00 0.00 0.00 60.65 60.96 1vpx s ILE 102 Cb 0.00 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 1vpx s ILE 102 CO 0.00 0.26 1.07 -0.54 0.00 0.00 0.00 174.94 175.73 1vpx s LYS 103 N 1.34 4.49 0.07 2.79 3.01 -1.26 -3.85 119.74 126.32 1vpx s LYS 103 Ca 0.16 1.69 0.05 0.00 -1.01 0.00 0.00 55.97 56.86 1vpx s LYS 103 Cb -0.15 -2.98 -0.03 0.00 -1.01 0.00 0.00 37.83 33.67 1vpx s LYS 103 CO 0.07 0.11 -0.14 0.95 0.51 0.00 0.00 175.35 176.86 1vpx s THR 104 N -1.33 1.08 -0.26 2.17 -4.23 -1.26 -1.35 115.64 110.47 1vpx s THR 104 Ca 0.49 -1.30 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 1vpx s THR 104 Cb -0.28 -1.05 0.08 0.00 1.34 0.00 0.00 72.50 72.59 1vpx s THR 104 CO 0.36 -0.24 0.05 0.21 -0.54 0.00 0.00 174.62 174.46 1vpx s ASN 105 N -1.74 3.62 -0.19 3.99 2.47 0.92 -0.92 114.94 123.09 1vpx s ASN 105 Ca -0.02 -1.28 -0.29 0.00 0.42 0.00 0.00 52.86 51.69 1vpx s ASN 105 Cb -0.10 -0.85 0.00 0.00 -1.45 0.00 0.00 41.25 38.85 1vpx s ASN 105 CO 0.02 -0.34 1.03 -0.69 -3.72 0.00 0.00 177.10 173.40 1vpx s VAL 106 N 1.64 4.72 0.48 -5.21 1.01 -0.35 -0.94 120.40 121.75 1vpx s VAL 106 Ca 0.03 2.03 0.05 0.00 0.00 0.00 0.00 61.98 64.08 1vpx s VAL 106 Cb -0.18 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 1vpx s VAL 106 CO -0.15 -0.12 0.16 0.28 0.00 0.00 0.00 175.10 175.27 1vpx s THR 107 N 2.82 1.73 -1.33 3.92 -1.32 0.85 -0.25 115.64 122.06 1vpx s THR 107 Ca 0.45 -1.78 -0.04 0.00 -1.21 0.00 0.00 61.69 59.11 1vpx s THR 107 Cb -0.16 -2.50 0.02 0.00 -1.51 0.00 0.00 72.50 68.34 1vpx s THR 107 CO 0.10 0.00 0.94 0.18 -2.21 0.00 0.00 174.62 173.62 1vpx n LEU 108 N -1.35 -3.33 -4.65 9.08 4.77 -1.25 -1.33 117.00 118.93 1vpx n LEU 108 Ca -0.08 -0.70 -0.38 0.00 -0.03 0.00 0.00 56.01 54.83 1vpx n LEU 108 Cb 0.66 -2.85 -0.09 0.00 -2.33 0.00 0.00 43.42 38.80 1vpx n LEU 108 CO 0.42 0.46 -0.05 -0.69 -1.33 0.00 0.00 177.39 176.20 1vpx s VAL 109 N -3.44 5.28 0.00 4.08 1.01 -1.21 -4.53 120.40 121.59 1vpx s VAL 109 Ca 0.24 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1vpx s VAL 109 Cb -0.11 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1vpx s VAL 109 CO 0.78 0.28 0.50 0.49 0.00 0.00 0.00 175.10 177.15 1vpx n PHE 110 N 4.55 0.00 -3.87 5.22 3.72 -1.26 -1.32 117.46 124.51 1vpx n PHE 110 Ca -0.12 -0.11 -0.11 0.00 -0.05 0.00 0.00 57.45 57.06 1vpx n PHE 110 Cb 0.52 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 38.94 1vpx n PHE 110 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1vpx s SER 111 N -0.22 0.01 0.52 4.37 1.04 -1.26 -5.02 113.70 113.14 1vpx s SER 111 Ca 0.00 -0.14 0.21 0.00 0.48 0.00 0.00 55.95 56.50 1vpx s SER 111 Cb 0.00 0.21 1.33 0.00 0.10 0.00 0.00 66.02 67.67 1vpx s SER 111 CO 0.00 -0.31 2.05 -0.65 0.98 0.00 0.00 173.24 175.32 1vpx h PRO 112 N 4.60 0.02 -0.22 4.02 0.11 -1.96 -2.56 132.00 136.01 1vpx h PRO 112 Ca -0.30 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1vpx h PRO 112 Cb 1.20 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1vpx h PRO 112 CO 0.41 0.01 0.08 0.00 -0.21 0.00 0.00 178.00 178.29 1vpx h ALA 113 N 1.83 0.29 -0.63 -0.75 0.00 -1.99 -1.59 119.26 116.42 1vpx h ALA 113 Ca 0.16 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1vpx h ALA 113 Cb 0.61 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1vpx h ALA 113 CO -0.01 -0.11 0.36 1.96 0.00 0.00 0.00 179.25 181.46 1vpx h GLN 114 N 0.20 0.67 -0.62 0.00 4.20 -1.91 -2.45 115.11 115.20 1vpx h GLN 114 Ca 0.07 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.75 1vpx h GLN 114 Cb 0.19 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1vpx h GLN 114 CO -0.01 0.44 0.41 0.00 -0.67 0.00 0.00 178.83 179.01 1vpx h ALA 115 N 1.31 1.57 -0.23 3.87 0.00 -1.18 -1.20 119.26 123.40 1vpx h ALA 115 Ca 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1vpx h ALA 115 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1vpx h ALA 115 CO -0.15 0.39 0.06 0.82 0.00 0.00 0.00 179.25 180.37 1vpx h ILE 116 N 0.83 1.21 -0.72 0.00 2.04 -0.83 -2.02 117.51 118.02 1vpx h ILE 116 Ca 0.23 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1vpx h ILE 116 Cb -0.08 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1vpx h ILE 116 CO -0.05 0.21 0.42 -0.07 0.00 0.00 0.00 178.15 178.67 1vpx h LEU 117 N 0.19 0.87 -0.48 1.44 3.38 -1.09 -0.12 115.31 119.50 1vpx h LEU 117 Ca 0.07 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vpx h LEU 117 Cb 0.27 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1vpx h LEU 117 CO 0.00 0.69 0.29 0.00 0.09 0.00 0.00 178.44 179.51 1vpx h ALA 118 N 1.22 0.62 -0.43 1.53 0.00 -1.13 -0.74 119.26 120.32 1vpx h ALA 118 Ca 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1vpx h ALA 118 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1vpx h ALA 118 CO -0.05 0.10 0.16 0.00 0.00 0.00 0.00 179.25 179.46 1vpx h ALA 119 N 1.14 0.56 -0.00 0.00 0.00 -1.06 -1.44 119.26 118.46 1vpx h ALA 119 Ca 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1vpx h ALA 119 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1vpx h ALA 119 CO -0.03 0.18 -0.32 0.87 0.00 0.00 0.00 179.25 179.95 1vpx h LYS 120 N 0.55 0.00 0.00 0.00 1.57 -0.70 -1.48 116.57 116.52 1vpx h LYS 120 Ca 0.14 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1vpx h LYS 120 Cb 0.22 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1vpx h LYS 120 CO -0.01 0.32 0.00 0.00 -0.57 0.00 0.00 179.45 179.19 1vpx h ALA 121 N 1.68 1.00 0.00 3.86 0.00 -1.10 -3.47 119.26 121.23 1vpx h ALA 121 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vpx h ALA 121 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1vpx h ALA 121 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1vpx n GLY 122 N 0.47 1.81 3.76 0.00 0.00 -0.56 -3.58 105.19 107.09 1vpx n GLY 122 Ca 0.03 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1vpx n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vpx n ALA 123 N -1.09 1.86 -0.02 4.61 0.00 -0.56 -4.82 120.51 120.50 1vpx n ALA 123 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 53.44 53.46 1vpx n ALA 123 Cb 0.03 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.01 1vpx n ALA 123 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1vpx h THR 124 N 1.87 1.33 -3.77 0.00 2.02 -1.65 -3.36 112.91 109.35 1vpx h THR 124 Ca -0.51 -1.92 -0.30 0.00 0.77 0.00 0.00 66.41 64.45 1vpx h THR 124 Cb 1.29 2.16 -0.18 0.00 -1.74 0.00 0.00 68.15 69.67 1vpx h THR 124 CO 0.59 0.59 -0.73 -0.31 0.37 0.00 0.00 175.52 176.03 1vpx s TYR 125 N -3.65 1.00 0.05 3.16 2.02 -0.09 -1.23 117.35 118.59 1vpx s TYR 125 Ca -0.12 -0.67 0.08 0.00 -0.37 0.00 0.00 57.07 55.99 1vpx s TYR 125 Cb 0.07 -0.55 -0.03 0.00 -0.40 0.00 0.00 41.96 41.05 1vpx s TYR 125 CO 0.86 -0.03 -0.23 0.14 -1.57 0.00 0.00 175.55 174.73 1vpx s VAL 126 N -2.45 1.82 -0.52 0.71 -7.23 -0.39 -1.20 120.40 111.14 1vpx s VAL 126 Ca 0.04 -1.27 0.04 0.00 -1.81 0.00 0.00 61.98 58.98 1vpx s VAL 126 Cb -0.03 -1.58 0.13 0.00 0.56 0.00 0.00 36.38 35.47 1vpx s VAL 126 CO -0.01 0.25 0.27 -0.44 -0.31 0.00 0.00 175.10 174.87 1vpx s SER 127 N -1.22 4.19 0.18 4.85 0.01 0.65 -0.24 113.70 122.12 1vpx s SER 127 Ca 0.09 -3.00 -0.30 0.00 1.31 0.00 0.00 55.95 54.04 1vpx s SER 127 Cb -0.09 -1.50 -0.08 0.00 0.21 0.00 0.00 66.02 64.55 1vpx s SER 127 CO 0.02 -0.23 1.26 -2.84 0.41 0.00 0.00 173.24 171.86 1vpx s PRO 128 N -0.25 4.43 -0.88 12.44 0.02 -1.22 -3.32 135.00 146.22 1vpx s PRO 128 Ca 0.18 1.96 -0.16 0.00 0.02 0.00 0.00 61.00 63.00 1vpx s PRO 128 Cb -0.24 -3.23 0.18 0.00 0.02 0.00 0.00 34.50 31.23 1vpx s PRO 128 CO -0.01 -0.19 0.95 -0.06 -0.33 0.00 0.00 177.00 177.35 1vpx s PHE 129 N 0.16 3.46 0.02 6.54 0.40 -0.43 -1.56 117.98 126.56 1vpx s PHE 129 Ca 0.56 -1.71 -0.27 0.00 -0.60 0.00 0.00 56.93 54.90 1vpx s PHE 129 Cb -0.34 -4.04 -0.16 0.00 0.51 0.00 0.00 43.02 38.98 1vpx s PHE 129 CO 0.36 -1.23 1.21 0.28 0.70 0.00 0.00 175.22 176.55 1vpx h VAL 130 N 5.27 0.26 -0.39 -0.44 2.07 -1.50 -3.03 116.25 118.49 1vpx h VAL 130 Ca 0.13 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1vpx h VAL 130 Cb 1.03 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1vpx h VAL 130 CO 0.93 0.04 0.17 1.23 0.02 0.00 0.00 177.57 179.95 1vpx h GLY 131 N -1.05 0.58 1.77 2.17 0.00 -0.95 -0.02 103.07 105.56 1vpx h GLY 131 Ca -0.08 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 46.87 1vpx h GLY 131 CO 0.13 0.25 -0.46 3.21 0.00 0.00 0.00 176.54 179.67 1vpx h ARG 132 N 0.55 0.25 -0.20 4.80 3.08 -1.78 -2.37 114.38 118.71 1vpx h ARG 132 Ca 0.14 -0.13 -0.21 0.00 0.07 0.00 0.00 59.98 59.85 1vpx h ARG 132 Cb 0.09 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.15 1vpx h ARG 132 CO -0.02 0.67 -0.69 0.52 -1.07 0.00 0.00 179.97 179.38 1vpx h MET 133 N 0.21 0.80 -0.79 0.04 2.86 -1.27 -3.17 114.93 113.61 1vpx h MET 133 Ca 0.01 -0.60 0.16 0.00 -2.06 0.00 0.00 59.70 57.21 1vpx h MET 133 Cb 0.90 0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.56 1vpx h MET 133 CO 0.07 1.21 0.32 -0.44 1.06 0.00 0.00 176.91 179.14 1vpx h ASP 134 N 0.58 0.30 1.06 1.22 5.19 -0.94 -2.34 116.42 121.49 1vpx h ASP 134 Ca -0.03 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1vpx h ASP 134 Cb 1.31 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.91 1vpx h ASP 134 CO 0.14 0.09 0.00 0.47 -3.12 0.00 0.00 179.24 176.82 1vpx n ASP 135 N -5.01 0.49 -0.09 6.45 9.92 -0.90 -0.42 116.55 126.99 1vpx n ASP 135 Ca 0.16 0.57 0.15 0.00 -0.53 0.00 0.00 54.79 55.14 1vpx n ASP 135 Cb 0.46 -0.70 0.73 0.00 -0.64 0.00 0.00 41.12 40.97 1vpx n ASP 135 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1vpx n LEU 136 N -1.99 0.34 -1.52 0.64 4.77 -0.90 -4.93 117.00 113.40 1vpx n LEU 136 Ca 0.05 0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.87 1vpx n LEU 136 Cb 0.33 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1vpx n LEU 136 CO 0.25 0.06 -0.18 -1.20 -1.33 0.00 0.00 177.39 174.99 1vpx n SER 137 N -0.93 -5.10 -1.12 -1.43 7.64 0.44 -4.89 113.62 108.22 1vpx n SER 137 Ca 0.17 0.30 0.12 0.00 1.01 0.00 0.00 58.87 60.48 1vpx n SER 137 Cb 0.23 -4.15 0.23 0.00 -1.01 0.00 0.00 64.21 59.50 1vpx n SER 137 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1vpx n ASN 138 N -0.96 3.34 -2.36 6.43 5.03 -1.07 -5.04 115.26 120.62 1vpx n ASN 138 Ca -0.18 -1.98 -0.00 0.00 0.87 0.00 0.00 54.58 53.29 1vpx n ASN 138 Cb 0.60 -0.24 -0.00 0.00 -1.02 0.00 0.00 39.78 39.12 1vpx n ASN 138 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1vpx n ASP 139 N 1.42 -6.15 0.17 6.41 -0.08 -1.23 -4.83 116.55 112.26 1vpx n ASP 139 Ca 0.19 1.03 0.01 0.00 -1.51 0.00 0.00 54.79 54.51 1vpx n ASP 139 Cb 0.59 -4.10 0.31 0.00 2.34 0.00 0.00 41.12 40.26 1vpx n ASP 139 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1vpx h GLY 140 N 2.20 0.03 1.73 0.27 0.00 -1.75 -2.85 103.07 102.70 1vpx h GLY 140 Ca -0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 1vpx h GLY 140 CO 0.07 0.02 -0.39 1.98 0.00 0.00 0.00 176.54 178.22 1vpx h MET 141 N 0.02 0.31 -0.31 4.80 -1.53 -1.93 -1.36 114.93 114.94 1vpx h MET 141 Ca -0.00 -0.14 -0.16 0.00 -3.44 0.00 0.00 59.70 55.96 1vpx h MET 141 Cb 0.76 -0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.80 1vpx h MET 141 CO 0.06 0.66 -0.43 -0.09 0.14 0.00 0.00 176.91 177.24 1vpx h ARG 142 N 0.26 0.83 -0.39 0.39 2.43 -1.87 -1.54 114.38 114.50 1vpx h ARG 142 Ca 0.03 -0.49 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 1vpx h ARG 142 Cb 0.81 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1vpx h ARG 142 CO 0.06 1.12 -0.18 0.00 -1.51 0.00 0.00 179.97 179.47 1vpx h MET 143 N 0.61 0.73 -0.65 0.20 -0.00 -1.29 -1.88 114.93 112.64 1vpx h MET 143 Ca 0.03 -0.27 -0.07 0.00 -0.00 0.00 0.00 59.70 59.40 1vpx h MET 143 Cb 1.03 -0.05 -0.03 0.00 -0.00 0.00 0.00 31.60 32.56 1vpx h MET 143 CO 0.10 0.86 0.14 1.25 -0.00 0.00 0.00 176.91 179.25 1vpx h LEU 144 N 0.65 1.01 -1.41 -0.10 5.85 -1.20 -2.17 115.31 117.94 1vpx h LEU 144 Ca 0.10 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1vpx h LEU 144 Cb 0.66 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1vpx h LEU 144 CO 0.05 1.00 0.41 1.23 -0.34 0.00 0.00 178.44 180.79 1vpx h GLY 145 N 0.99 0.86 1.37 3.75 0.00 -0.87 -0.54 103.07 108.61 1vpx h GLY 145 Ca 0.20 -0.31 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 1vpx h GLY 145 CO 0.01 0.30 -0.45 0.83 0.00 0.00 0.00 176.54 177.23 1vpx h GLU 146 N 0.81 0.68 -0.23 4.80 5.08 -0.93 -1.54 114.58 123.26 1vpx h GLU 146 Ca 0.23 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1vpx h GLU 146 Cb -0.05 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1vpx h GLU 146 CO -0.05 0.99 -0.13 0.82 -1.00 0.00 0.00 179.01 179.64 1vpx h ILE 147 N 0.55 1.31 -0.46 3.13 2.04 -0.86 -1.55 117.51 121.67 1vpx h ILE 147 Ca 0.03 -1.22 0.05 0.00 1.00 0.00 0.00 64.86 64.72 1vpx h ILE 147 Cb 1.00 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 1vpx h ILE 147 CO 0.09 0.38 0.20 0.58 0.00 0.00 0.00 178.15 179.40 1vpx h VAL 148 N 0.19 0.91 -0.47 1.67 2.07 -1.09 -0.22 116.25 119.32 1vpx h VAL 148 Ca 0.05 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1vpx h VAL 148 Cb 0.64 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1vpx h VAL 148 CO 0.04 0.07 0.30 -0.08 0.02 0.00 0.00 177.57 177.92 1vpx h GLU 149 N 0.40 0.59 -0.48 1.57 4.57 -1.19 -0.35 114.58 119.69 1vpx h GLU 149 Ca 0.21 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.23 1vpx h GLU 149 Cb 0.16 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1vpx h GLU 149 CO -0.18 0.39 -0.17 0.82 -1.18 0.00 0.00 179.01 178.69 1vpx h ILE 150 N 0.61 1.27 -0.41 2.32 2.04 -0.94 -0.83 117.51 121.57 1vpx h ILE 150 Ca 0.18 -1.33 -0.09 0.00 1.00 0.00 0.00 64.86 64.62 1vpx h ILE 150 Cb -0.04 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1vpx h ILE 150 CO -0.06 0.46 -0.11 1.88 0.00 0.00 0.00 178.15 180.32 1vpx h TYR 151 N 0.81 0.79 -0.42 1.37 -1.99 -0.86 -2.18 116.97 114.50 1vpx h TYR 151 Ca 0.11 -0.14 -0.10 0.00 2.00 0.00 0.00 58.73 60.61 1vpx h TYR 151 Cb 0.74 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 39.25 1vpx h TYR 151 CO 0.05 0.80 -0.13 -0.91 -0.00 0.00 0.00 178.16 177.97 1vpx h ASN 152 N 0.66 0.76 -0.47 3.88 2.35 -0.86 0.07 115.58 121.97 1vpx h ASN 152 Ca 0.11 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1vpx h ASN 152 Cb 0.57 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1vpx h ASN 152 CO 0.04 0.91 0.31 0.78 -1.65 0.00 0.00 177.43 177.82 1vpx h ASN 153 N 0.69 0.54 -0.00 5.81 2.35 -0.52 -3.28 115.58 121.17 1vpx h ASN 153 Ca 0.11 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1vpx h ASN 153 Cb 0.61 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1vpx h ASN 153 CO 0.04 0.39 -0.03 -1.22 -1.65 0.00 0.00 177.43 174.96 1vpx n TYR 154 N -4.47 0.00 -3.99 1.19 4.01 -1.03 -5.02 117.16 107.85 1vpx n TYR 154 Ca 0.04 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.48 1vpx n TYR 154 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1vpx n TYR 154 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vpx n GLY 155 N 0.38 -0.38 3.68 2.72 0.00 0.01 -4.90 105.19 106.70 1vpx n GLY 155 Ca 0.02 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1vpx n GLY 155 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vpx n PHE 156 N -4.47 2.17 0.23 1.61 3.72 -1.22 -4.88 117.46 114.62 1vpx n PHE 156 Ca -0.09 0.52 0.09 0.00 -0.05 0.00 0.00 57.45 57.92 1vpx n PHE 156 Cb 0.58 -2.42 0.53 0.00 -0.94 0.00 0.00 39.48 37.23 1vpx n PHE 156 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1vpx h GLU 157 N 3.11 0.00 -6.51 -1.08 4.11 -1.91 -3.44 114.58 108.86 1vpx h GLU 157 Ca -0.45 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.37 1vpx h GLU 157 Cb 1.28 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.62 1vpx h GLU 157 CO 0.67 0.23 0.44 2.41 0.07 0.00 0.00 179.01 182.84 1vpx n THR 158 N -3.65 1.14 -4.12 -1.06 -1.04 -1.26 -4.98 114.28 99.32 1vpx n THR 158 Ca -0.01 -0.28 -0.35 0.00 -2.04 0.00 0.00 64.05 61.37 1vpx n THR 158 Cb 0.36 -1.24 -0.07 0.00 -1.82 0.00 0.00 70.33 67.56 1vpx n THR 158 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1vpx s GLU 159 N -0.65 3.15 -0.20 -2.82 2.02 -0.37 -4.94 118.70 114.90 1vpx s GLU 159 Ca 0.67 -0.36 -0.17 0.00 0.02 0.00 0.00 54.97 55.14 1vpx s GLU 159 Cb -0.71 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 1vpx s GLU 159 CO 0.53 0.70 0.45 0.42 0.02 0.00 0.00 175.26 177.38 1vpx s ILE 160 N -1.06 5.16 -0.47 -1.63 1.01 -1.26 -1.26 121.20 121.69 1vpx s ILE 160 Ca 0.18 0.82 -0.13 0.00 0.00 0.00 0.00 60.65 61.51 1vpx s ILE 160 Cb -0.12 -3.78 0.09 0.00 0.01 0.00 0.00 42.46 38.66 1vpx s ILE 160 CO 0.08 0.23 0.37 -0.63 0.00 0.00 0.00 174.94 174.99 1vpx s ILE 161 N 1.40 4.90 -0.17 2.92 1.01 0.67 -1.25 121.20 130.67 1vpx s ILE 161 Ca 0.21 -1.27 -0.29 0.00 0.00 0.00 0.00 60.65 59.30 1vpx s ILE 161 Cb -0.15 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.26 1vpx s ILE 161 CO 0.09 -0.62 2.16 0.00 0.00 0.00 0.00 174.94 176.56 1vpx n ALA 162 N 5.12 1.64 -2.61 9.38 0.00 0.68 -3.42 120.51 131.30 1vpx n ALA 162 Ca -0.12 -0.12 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 1vpx n ALA 162 Cb 0.43 -2.82 -0.06 0.00 0.00 0.00 0.00 19.45 16.99 1vpx n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vpx s ALA 163 N 7.28 3.98 -1.43 0.00 0.00 -0.60 -1.69 121.76 129.30 1vpx s ALA 163 Ca 0.99 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 51.80 1vpx s ALA 163 Cb -0.42 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.54 1vpx s ALA 163 CO 0.39 -0.15 0.61 0.45 0.00 0.00 0.00 175.76 177.05 1vpx n SER 164 N -1.33 -1.45 -4.71 0.00 2.88 -1.26 -1.69 113.62 106.05 1vpx n SER 164 Ca -0.10 -0.93 -0.40 0.00 -1.33 0.00 0.00 58.87 56.11 1vpx n SER 164 Cb 0.66 -3.40 -0.05 0.00 -0.75 0.00 0.00 64.21 60.68 1vpx n SER 164 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1vpx s ILE 165 N -3.72 5.06 -0.03 2.46 -1.09 -1.26 -0.50 121.20 122.11 1vpx s ILE 165 Ca 0.17 1.39 0.05 0.00 -2.23 0.00 0.00 60.65 60.03 1vpx s ILE 165 Cb -0.09 -4.02 -0.07 0.00 -1.58 0.00 0.00 42.46 36.70 1vpx s ILE 165 CO 0.86 0.25 0.06 0.54 -1.23 0.00 0.00 174.94 175.43 1vpx n ARG 166 N 3.83 1.77 -3.66 2.79 5.12 -1.26 -4.46 116.66 120.80 1vpx n ARG 166 Ca -0.02 -0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.78 1vpx n ARG 166 Cb 0.51 -1.12 -0.02 0.00 -1.16 0.00 0.00 32.46 30.67 1vpx n ARG 166 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1vpx s HIS 167 N -2.23 -0.30 0.35 -1.55 -3.43 -1.26 -4.90 115.29 101.97 1vpx s HIS 167 Ca -0.02 -0.03 0.10 0.00 -0.80 0.00 0.00 55.06 54.32 1vpx s HIS 167 Cb 0.02 0.56 0.87 0.00 -1.43 0.00 0.00 32.58 32.60 1vpx s HIS 167 CO 0.20 -1.00 1.82 -1.35 -2.00 0.00 0.00 174.74 172.41 1vpx h PRO 168 N 2.06 0.62 0.00 -0.38 0.11 -1.98 -2.25 132.00 130.17 1vpx h PRO 168 Ca -0.28 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 1vpx h PRO 168 Cb 1.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1vpx h PRO 168 CO 0.33 0.41 -0.30 0.52 -0.21 0.00 0.00 178.00 178.75 1vpx h MET 169 N 0.64 0.00 -0.69 1.05 2.86 -1.98 -0.74 114.93 116.07 1vpx h MET 169 Ca 0.52 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 58.21 1vpx h MET 169 Cb 0.97 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.58 1vpx h MET 169 CO -0.28 0.30 0.40 0.45 1.06 0.00 0.00 176.91 178.84 1vpx h HIS 170 N 0.00 0.75 -0.20 -0.22 3.86 -1.83 -0.11 115.15 117.40 1vpx h HIS 170 Ca -0.00 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 1vpx h HIS 170 Cb 0.53 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 1vpx h HIS 170 CO 0.00 0.39 -0.24 0.28 0.86 0.00 0.00 177.93 179.23 1vpx h VAL 171 N 0.76 1.33 -0.40 2.45 2.07 -1.26 -1.09 116.25 120.11 1vpx h VAL 171 Ca 0.29 -1.42 -0.10 0.00 0.82 0.00 0.00 66.70 66.29 1vpx h VAL 171 Cb 0.12 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1vpx h VAL 171 CO -0.15 0.43 -0.16 0.58 0.02 0.00 0.00 177.57 178.29 1vpx h VAL 172 N 0.19 1.28 -0.62 2.57 2.07 -1.10 -0.87 116.25 119.77 1vpx h VAL 172 Ca 0.03 -1.28 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 1vpx h VAL 172 Cb 0.79 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1vpx h VAL 172 CO 0.06 0.43 0.09 -0.33 0.02 0.00 0.00 177.57 177.84 1vpx h GLU 173 N 0.62 1.03 -0.76 1.57 5.08 -1.05 -0.42 114.58 120.64 1vpx h GLU 173 Ca 0.09 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1vpx h GLU 173 Cb 0.71 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1vpx h GLU 173 CO 0.05 0.97 0.34 0.00 -1.00 0.00 0.00 179.01 179.37 1vpx h ALA 174 N 1.02 1.16 -0.45 3.43 0.00 -1.04 -2.02 119.26 121.36 1vpx h ALA 174 Ca 0.19 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1vpx h ALA 174 Cb 0.44 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1vpx h ALA 174 CO 0.01 0.62 -0.18 0.00 0.00 0.00 0.00 179.25 179.70 1vpx h ALA 175 N 1.27 0.83 -0.25 0.00 0.00 -1.00 -1.68 119.26 118.44 1vpx h ALA 175 Ca 0.26 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1vpx h ALA 175 Cb 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1vpx h ALA 175 CO -0.03 0.65 -0.03 -0.07 0.00 0.00 0.00 179.25 179.77 1vpx h LEU 176 N 0.77 0.35 0.00 0.00 3.38 -0.65 -2.04 115.31 117.11 1vpx h LEU 176 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1vpx h LEU 176 Cb 0.72 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1vpx h LEU 176 CO 0.06 0.44 -0.34 1.15 0.09 0.00 0.00 178.44 179.84 1vpx n MET 177 N -4.31 0.00 -2.03 1.13 0.00 -0.80 -4.97 117.12 106.14 1vpx n MET 177 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1vpx n MET 177 Cb 0.23 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.95 1vpx n MET 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1vpx n GLY 178 N 1.50 0.77 3.75 3.17 0.00 -0.76 -4.98 105.19 108.63 1vpx n GLY 178 Ca 0.06 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1vpx n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vpx s VAL 179 N -2.48 2.34 0.09 1.61 0.11 -0.71 -4.93 120.40 116.43 1vpx s VAL 179 Ca 0.00 0.23 -0.17 0.00 -2.93 0.00 0.00 61.98 59.11 1vpx s VAL 179 Cb 0.00 -3.10 -0.08 0.00 -1.53 0.00 0.00 36.38 31.66 1vpx s VAL 179 CO 0.00 -0.03 1.46 0.44 -3.33 0.00 0.00 175.10 173.64 1vpx h ASP 180 N 1.08 0.56 -3.82 3.54 3.32 -1.90 -3.46 116.42 115.74 1vpx h ASP 180 Ca -0.51 -0.40 -0.20 0.00 0.02 0.00 0.00 57.03 55.94 1vpx h ASP 180 Cb 1.30 -0.15 -0.27 0.00 0.22 0.00 0.00 39.33 40.43 1vpx h ASP 180 CO 0.56 0.83 -0.61 -0.63 -1.72 0.00 0.00 179.24 177.66 1vpx s ILE 181 N -4.65 0.00 -0.12 0.35 1.01 -0.38 -1.45 121.20 115.97 1vpx s ILE 181 Ca -0.13 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.51 1vpx s ILE 181 Cb 0.08 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.41 1vpx s ILE 181 CO 0.78 -0.02 -0.22 0.68 0.00 0.00 0.00 174.94 176.16 1vpx s VAL 182 N -0.02 1.97 -0.17 2.92 -7.23 -0.51 -0.23 120.40 117.13 1vpx s VAL 182 Ca -0.01 -0.94 -0.07 0.00 -1.81 0.00 0.00 61.98 59.15 1vpx s VAL 182 Cb -0.01 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1vpx s VAL 182 CO 0.00 0.54 0.06 0.28 -0.31 0.00 0.00 175.10 175.67 1vpx s THR 183 N 0.67 4.77 0.06 5.32 -1.32 -0.68 -1.33 115.64 123.12 1vpx s THR 183 Ca -0.11 -0.05 -0.07 0.00 -1.21 0.00 0.00 61.69 60.25 1vpx s THR 183 Cb -0.16 -3.13 -0.01 0.00 -1.51 0.00 0.00 72.50 67.69 1vpx s THR 183 CO 0.02 0.49 0.14 0.00 -2.21 0.00 0.00 174.62 173.05 1vpx s MET 184 N 0.15 0.72 0.61 7.08 0.23 -0.72 -4.24 119.30 123.13 1vpx s MET 184 Ca 0.05 -0.87 -0.17 0.00 -1.03 0.00 0.00 55.69 53.66 1vpx s MET 184 Cb -0.12 0.28 -0.03 0.00 -1.53 0.00 0.00 34.83 33.44 1vpx s MET 184 CO 0.01 -0.20 1.14 -2.14 -2.03 0.00 0.00 175.02 171.79 1vpx s PRO 185 N -3.28 3.00 0.27 3.16 0.02 -1.26 -0.32 135.00 136.58 1vpx s PRO 185 Ca 0.01 1.57 -0.01 0.00 0.02 0.00 0.00 61.00 62.59 1vpx s PRO 185 Cb 0.03 -1.96 0.47 0.00 0.02 0.00 0.00 34.50 33.05 1vpx s PRO 185 CO -0.08 -1.13 1.87 0.35 -0.33 0.00 0.00 177.00 177.68 1vpx h PHE 186 N 0.60 1.18 -0.85 6.54 3.57 -1.96 -1.25 116.94 124.77 1vpx h PHE 186 Ca -0.49 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.14 1vpx h PHE 186 Cb 1.26 -0.38 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 1vpx h PHE 186 CO 0.51 0.56 0.55 0.00 -2.23 0.00 0.00 178.31 177.71 1vpx h ALA 187 N 1.49 1.68 -0.30 2.41 0.00 -1.96 -0.17 119.26 122.41 1vpx h ALA 187 Ca 0.46 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.23 1vpx h ALA 187 Cb 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1vpx h ALA 187 CO -0.20 0.16 -0.31 0.28 0.00 0.00 0.00 179.25 179.17 1vpx h VAL 188 N 0.83 1.30 -0.39 0.00 2.07 -1.59 -2.91 116.25 115.55 1vpx h VAL 188 Ca 0.39 -1.48 0.03 0.00 0.82 0.00 0.00 66.70 66.46 1vpx h VAL 188 Cb 0.40 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1vpx h VAL 188 CO -0.16 0.48 0.19 0.25 0.02 0.00 0.00 177.57 178.35 1vpx h LEU 189 N 0.48 0.28 -0.77 2.57 5.85 -0.73 -2.12 115.31 120.87 1vpx h LEU 189 Ca 0.05 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.90 1vpx h LEU 189 Cb 0.88 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 1vpx h LEU 189 CO 0.08 0.20 0.39 -0.33 -0.34 0.00 0.00 178.44 178.43 1vpx h GLU 190 N 0.39 0.59 -0.66 1.25 5.08 -1.08 -1.91 114.58 118.24 1vpx h GLU 190 Ca 0.17 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1vpx h GLU 190 Cb 0.08 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1vpx h GLU 190 CO -0.12 0.39 0.42 0.87 -1.00 0.00 0.00 179.01 179.57 1vpx h LYS 191 N 0.61 0.87 0.00 2.33 1.57 -1.18 -2.81 116.57 117.96 1vpx h LYS 191 Ca 0.40 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1vpx h LYS 191 Cb 0.48 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1vpx h LYS 191 CO -0.31 0.59 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.06 1vpx h LEU 192 N 0.89 0.00 -1.16 2.94 3.38 -1.03 -0.78 115.31 119.55 1vpx h LEU 192 Ca 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1vpx h LEU 192 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1vpx h LEU 192 CO -0.05 0.03 -0.36 -0.26 0.09 0.00 0.00 178.44 177.90 1vpx h PHE 193 N 0.00 0.00 -3.26 1.13 -1.00 -1.55 -3.47 116.94 108.79 1vpx h PHE 193 Ca -0.00 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.21 1vpx h PHE 193 Cb 0.09 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.60 1vpx h PHE 193 CO 0.00 0.36 -0.09 0.15 -1.61 0.00 0.00 178.31 177.12 1vpx s LYS 194 N -3.86 4.03 -0.27 1.51 -0.14 -0.30 -5.08 119.74 115.62 1vpx s LYS 194 Ca -0.01 0.54 -0.21 0.00 -1.36 0.00 0.00 55.97 54.93 1vpx s LYS 194 Cb 0.12 -3.05 0.07 0.00 -1.68 0.00 0.00 37.83 33.29 1vpx s LYS 194 CO 0.69 0.55 0.71 -1.58 -0.76 0.00 0.00 175.35 174.96 1vpx s HIS 195 N -1.32 -0.90 0.47 3.18 2.46 -1.26 -5.05 115.29 112.87 1vpx s HIS 195 Ca 0.33 2.01 0.12 0.00 0.47 0.00 0.00 55.06 58.00 1vpx s HIS 195 Cb -0.16 0.42 1.07 0.00 -0.13 0.00 0.00 32.58 33.78 1vpx s HIS 195 CO 0.18 -0.44 2.10 -1.00 -2.47 0.00 0.00 174.74 173.11 1vpx h PRO 196 N 5.80 0.22 0.00 2.88 0.13 -2.00 -1.89 132.00 137.15 1vpx h PRO 196 Ca -0.29 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.69 1vpx h PRO 196 Cb 1.19 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1vpx h PRO 196 CO 0.09 0.17 -0.63 0.52 -0.23 0.00 0.00 178.00 177.92 1vpx h MET 197 N 0.23 0.00 -0.43 0.86 2.86 -1.99 -1.94 114.93 114.53 1vpx h MET 197 Ca 0.06 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1vpx h MET 197 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1vpx h MET 197 CO -0.01 0.63 0.09 1.15 1.06 0.00 0.00 176.91 179.83 1vpx h THR 198 N 0.00 1.24 -0.40 2.22 2.02 -1.77 -1.19 112.91 115.03 1vpx h THR 198 Ca -0.01 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1vpx h THR 198 Cb 1.14 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1vpx h THR 198 CO 0.08 0.29 0.25 0.44 0.37 0.00 0.00 175.52 176.96 1vpx h ASP 199 N 0.56 0.47 -0.60 4.18 3.32 -1.23 -1.00 116.42 122.11 1vpx h ASP 199 Ca 0.13 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1vpx h ASP 199 Cb 0.35 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1vpx h ASP 199 CO 0.00 0.36 0.18 -0.07 -1.72 0.00 0.00 179.24 177.99 1vpx h LEU 200 N 0.53 0.88 -0.87 1.55 3.38 -1.33 -1.68 115.31 117.78 1vpx h LEU 200 Ca 0.15 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1vpx h LEU 200 Cb -0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1vpx h LEU 200 CO -0.03 0.86 0.56 1.23 0.09 0.00 0.00 178.44 181.15 1vpx h GLY 201 N 0.86 1.23 1.03 0.83 0.00 -0.93 -0.53 103.07 105.55 1vpx h GLY 201 Ca 0.19 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1vpx h GLY 201 CO -0.00 0.46 0.19 -2.22 0.00 0.00 0.00 176.54 174.96 1vpx h ILE 202 N 1.18 1.25 -0.71 2.60 2.04 -0.86 -0.82 117.51 122.19 1vpx h ILE 202 Ca 0.32 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 65.24 1vpx h ILE 202 Cb -0.12 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1vpx h ILE 202 CO -0.07 0.34 0.22 -0.33 0.00 0.00 0.00 178.15 178.31 1vpx h GLU 203 N 0.95 1.10 0.00 2.37 5.08 -0.93 -2.43 114.58 120.71 1vpx h GLU 203 Ca 0.21 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1vpx h GLU 203 Cb 0.32 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1vpx h GLU 203 CO -0.00 0.94 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.72 1vpx h ARG 204 N 1.05 0.00 -1.09 2.33 9.65 -0.74 -1.53 114.38 124.05 1vpx h ARG 204 Ca 0.23 0.00 -0.55 0.00 -1.10 0.00 0.00 59.98 58.56 1vpx h ARG 204 Cb 0.30 0.00 -0.26 0.00 -1.39 0.00 0.00 29.97 28.62 1vpx h ARG 204 CO -0.01 0.13 0.71 1.19 2.80 0.00 0.00 179.97 184.79 1vpx n PHE 205 N -3.52 2.77 -0.02 2.20 3.01 -0.35 -3.51 117.46 118.05 1vpx n PHE 205 Ca -0.01 -2.43 0.00 0.00 1.01 0.00 0.00 57.45 56.02 1vpx n PHE 205 Cb 0.28 -1.19 0.00 0.00 -0.01 0.00 0.00 39.48 38.56 1vpx n PHE 205 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vpx n MET 206 N -0.70 0.08 0.19 -1.08 0.00 -0.66 -4.86 117.12 110.08 1vpx n MET 206 Ca 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 58.12 1vpx n MET 206 Cb 0.91 -0.01 -0.07 0.00 0.00 0.00 0.00 33.22 34.06 1vpx n MET 206 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1vpx h GLU 207 N 0.00 -0.52 0.00 3.17 4.39 -1.52 -3.51 114.58 116.59 1vpx h GLU 207 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1vpx h GLU 207 Cb 0.00 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1vpx h GLU 207 CO 0.00 -0.21 0.00 -0.25 -1.16 0.00 0.00 179.01 177.39