#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 1.31 -2.27 1.57 -0.00 -1.26 -4.98 115.22 109.59 1vpx n HIS 0 Ca 0.00 0.42 -0.42 0.00 -0.00 0.00 0.00 57.72 57.73 1vpx n HIS 0 Cb 0.00 -2.19 -0.03 0.00 -0.00 0.00 0.00 29.99 27.77 1vpx n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1vpx s MET 1 N -3.08 4.41 0.00 -0.41 1.75 -1.26 -4.96 119.30 115.75 1vpx s MET 1 Ca 0.79 1.98 -0.07 0.00 -1.25 0.00 0.00 55.69 57.14 1vpx s MET 1 Cb -0.39 -3.23 -0.05 0.00 2.84 0.00 0.00 34.83 33.99 1vpx s MET 1 CO 0.44 -0.25 0.27 0.15 -0.65 0.00 0.00 175.02 174.98 1vpx s LYS 2 N 0.22 3.59 -0.18 4.11 -0.14 -0.42 -5.01 119.74 121.92 1vpx s LYS 2 Ca 0.57 -0.05 -0.00 0.00 -1.36 0.00 0.00 55.97 55.12 1vpx s LYS 2 Cb -0.35 -3.09 0.00 0.00 -1.68 0.00 0.00 37.83 32.72 1vpx s LYS 2 CO 0.35 0.66 -0.14 0.42 -0.76 0.00 0.00 175.35 175.87 1vpx s ILE 3 N -1.28 2.62 0.21 2.17 1.01 -1.26 -1.44 121.20 123.23 1vpx s ILE 3 Ca 0.27 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.19 1vpx s ILE 3 Cb -0.13 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 1vpx s ILE 3 CO 0.15 0.50 0.32 -0.36 0.00 0.00 0.00 174.94 175.56 1vpx s PHE 4 N 1.11 3.44 -0.14 3.97 0.08 -0.63 -0.34 117.98 125.45 1vpx s PHE 4 Ca 0.00 0.02 -0.06 0.00 0.12 0.00 0.00 56.93 57.01 1vpx s PHE 4 Cb -0.14 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 1vpx s PHE 4 CO -0.05 0.47 0.07 -0.51 -0.10 0.00 0.00 175.22 175.10 1vpx s LEU 5 N -3.71 3.93 -0.89 -0.37 1.43 -0.68 -1.98 118.68 116.41 1vpx s LEU 5 Ca 0.34 0.21 -0.21 0.00 -1.03 0.00 0.00 54.13 53.43 1vpx s LEU 5 Cb -0.10 -1.96 0.09 0.00 0.03 0.00 0.00 46.19 44.25 1vpx s LEU 5 CO 0.28 0.29 1.19 -1.81 0.23 0.00 0.00 176.35 176.53 1vpx s ASP 6 N -0.30 6.47 0.05 2.29 1.11 0.12 -0.30 116.67 126.11 1vpx s ASP 6 Ca 0.09 -1.58 -0.27 0.00 0.18 0.00 0.00 52.55 50.97 1vpx s ASP 6 Cb -0.12 -2.46 0.09 0.00 1.07 0.00 0.00 42.92 41.50 1vpx s ASP 6 CO 0.01 -1.31 0.89 0.28 1.18 0.00 0.00 175.17 176.23 1vpx s THR 7 N 3.75 0.00 0.00 -1.27 -1.32 -1.04 -4.51 115.64 111.25 1vpx s THR 7 Ca 0.34 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 1vpx s THR 7 Cb -0.06 -1.25 0.00 0.00 -1.51 0.00 0.00 72.50 69.68 1vpx s THR 7 CO -0.04 0.00 0.68 0.00 -2.21 0.00 0.00 174.62 173.05 1vpx n ALA 8 N -0.31 2.06 -2.67 11.08 0.00 -1.26 -4.51 120.51 124.90 1vpx n ALA 8 Ca -0.09 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 1vpx n ALA 8 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.43 7.05 0.22 0.00 3.84 -1.26 -4.94 114.94 119.43 1vpx s ASN 9 Ca 0.00 1.30 0.11 0.00 0.21 0.00 0.00 52.86 54.48 1vpx s ASN 9 Cb 0.00 -2.50 0.12 0.00 -0.55 0.00 0.00 41.25 38.32 1vpx s ASN 9 CO 0.00 -0.49 1.47 -0.07 -2.79 0.00 0.00 177.10 175.22 1vpx h LEU 10 N 8.58 0.00 -0.24 3.21 3.38 -1.99 -2.65 115.31 125.61 1vpx h LEU 10 Ca -0.27 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1vpx h LEU 10 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1vpx h LEU 10 CO 0.88 0.73 0.01 -0.33 0.09 0.00 0.00 178.44 179.82 1vpx h GLU 11 N 0.00 0.41 -0.51 1.13 5.08 -1.99 0.90 114.58 119.61 1vpx h GLU 11 Ca -0.01 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1vpx h GLU 11 Cb 1.39 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.54 1vpx h GLU 11 CO 0.09 0.58 0.21 0.93 -1.00 0.00 0.00 179.01 179.82 1vpx h GLU 12 N 0.20 0.39 -0.55 2.33 5.08 -1.97 0.25 114.58 120.31 1vpx h GLU 12 Ca 0.07 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1vpx h GLU 12 Cb 0.38 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1vpx h GLU 12 CO 0.01 0.26 0.19 0.82 -1.00 0.00 0.00 179.01 179.29 1vpx h ILE 13 N 0.40 1.23 -0.07 3.13 2.04 -1.34 0.79 117.51 123.69 1vpx h ILE 13 Ca 0.24 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.36 1vpx h ILE 13 Cb 0.23 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1vpx h ILE 13 CO -0.22 0.28 -0.02 0.50 0.00 0.00 0.00 178.15 178.69 1vpx h LYS 14 N 0.76 -0.01 -0.43 2.37 1.63 -0.19 0.94 116.57 121.63 1vpx h LYS 14 Ca 0.18 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 60.06 1vpx h LYS 14 Cb 0.25 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.81 1vpx h LYS 14 CO -0.01 -0.01 -0.01 -0.22 -3.45 0.00 0.00 179.45 175.75 1vpx h LYS 15 N -0.01 0.09 -0.65 1.90 1.63 -0.33 0.18 116.57 119.38 1vpx h LYS 15 Ca 0.04 -0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.92 1vpx h LYS 15 Cb 0.07 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 31.61 1vpx h LYS 15 CO -0.08 0.06 0.30 0.78 -3.45 0.00 0.00 179.45 177.06 1vpx h GLY 16 N 0.09 0.94 1.59 5.01 0.00 0.10 -1.58 103.07 109.23 1vpx h GLY 16 Ca 0.22 -0.18 -0.22 0.00 0.00 0.00 0.00 47.33 47.15 1vpx h GLY 16 CO -0.37 0.04 -0.92 -0.39 0.00 0.00 0.00 176.54 174.90 1vpx h VAL 17 N 0.52 1.42 -1.00 4.60 -1.51 -0.40 -2.60 116.25 117.29 1vpx h VAL 17 Ca 0.32 -2.47 0.15 0.00 -1.23 0.00 0.00 66.70 63.46 1vpx h VAL 17 Cb 0.33 2.42 -0.09 0.00 -2.13 0.00 0.00 31.29 31.82 1vpx h VAL 17 CO -0.26 0.73 0.62 -0.33 -1.23 0.00 0.00 177.57 177.10 1vpx h GLU 18 N 0.21 0.87 0.00 5.19 5.08 -0.24 -0.38 114.58 125.32 1vpx h GLU 18 Ca -0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1vpx h GLU 18 Cb 1.55 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1vpx h GLU 18 CO 0.16 0.58 0.00 -1.49 -1.00 0.00 0.00 179.01 177.25 1vpx h TRP 19 N 0.90 0.00 -1.95 4.33 6.55 -1.21 -3.47 115.95 121.09 1vpx h TRP 19 Ca 0.52 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 60.18 1vpx h TRP 19 Cb 0.65 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 28.96 1vpx h TRP 19 CO -0.00 0.00 -0.26 0.41 -1.05 0.00 0.00 178.44 177.54 1vpx n GLY 20 N 0.66 0.09 0.00 1.49 0.00 -0.15 -4.91 105.19 102.37 1vpx n GLY 20 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.87 0.00 -3.76 -0.61 5.41 -1.02 -5.00 119.36 110.50 1vpx n ILE 21 Ca -0.07 -0.04 -0.36 0.00 1.00 0.00 0.00 62.75 63.28 1vpx n ILE 21 Cb 0.56 0.47 -0.10 0.00 -0.71 0.00 0.00 39.64 39.86 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 -1.60 5.06 -0.21 1.39 1.01 -1.12 -4.30 120.40 120.63 1vpx s VAL 22 Ca 0.00 0.07 0.19 0.00 0.00 0.00 0.00 61.98 62.25 1vpx s VAL 22 Cb 0.00 -3.34 -0.28 0.00 0.00 0.00 0.00 36.38 32.76 1vpx s VAL 22 CO 0.00 0.37 0.51 0.47 0.00 0.00 0.00 175.10 176.45 1vpx n ASP 23 N 4.21 0.62 -2.82 3.32 8.00 0.54 -4.65 116.55 125.76 1vpx n ASP 23 Ca -0.16 -0.20 -0.01 0.00 0.71 0.00 0.00 54.79 55.13 1vpx n ASP 23 Cb 0.52 1.70 0.01 0.00 -0.02 0.00 0.00 41.12 43.33 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 1.41 0.67 2.88 0.44 0.00 -1.24 -3.72 105.19 105.63 1vpx n GLY 24 Ca -0.02 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.16 0.14 -0.06 1.61 1.01 0.30 -1.69 120.40 119.55 1vpx s VAL 25 Ca 0.18 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1vpx s VAL 25 Cb -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 1vpx s VAL 25 CO 0.03 0.06 -0.13 0.42 0.00 0.00 0.00 175.10 175.48 1vpx s THR 26 N 0.15 3.13 0.25 3.92 -4.23 0.59 -0.74 115.64 118.72 1vpx s THR 26 Ca -0.01 -0.69 0.04 0.00 -1.18 0.00 0.00 61.69 59.84 1vpx s THR 26 Cb -0.03 -2.24 -0.05 0.00 1.34 0.00 0.00 72.50 71.51 1vpx s THR 26 CO -0.00 0.59 0.01 0.28 -0.54 0.00 0.00 174.62 174.95 1vpx s THR 27 N -0.65 1.08 0.16 3.99 -1.32 -0.71 -2.50 115.64 115.68 1vpx s THR 27 Ca 0.10 -2.03 -0.19 0.00 -1.21 0.00 0.00 61.69 58.36 1vpx s THR 27 Cb -0.11 -2.46 0.04 0.00 -1.51 0.00 0.00 72.50 68.47 1vpx s THR 27 CO 0.01 -0.24 0.50 0.54 -2.21 0.00 0.00 174.62 173.22 1vpx s ASN 28 N -3.35 -0.34 0.18 8.08 2.20 -1.26 -4.59 114.94 115.85 1vpx s ASN 28 Ca 0.31 -0.28 -0.15 0.00 -0.94 0.00 0.00 52.86 51.80 1vpx s ASN 28 Cb 0.06 0.55 0.14 0.00 -2.00 0.00 0.00 41.25 40.00 1vpx s ASN 28 CO 0.11 -0.96 1.69 -0.65 -2.94 0.00 0.00 177.10 174.35 1vpx h PRO 29 N 2.20 0.12 -0.85 3.55 0.11 -2.00 -2.01 132.00 133.11 1vpx h PRO 29 Ca -0.32 -0.01 0.21 0.00 0.11 0.00 0.00 66.00 65.99 1vpx h PRO 29 Cb 1.27 -0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 1vpx h PRO 29 CO 0.41 0.08 0.27 1.15 -0.21 0.00 0.00 178.00 179.70 1vpx h THR 30 N 0.12 0.42 -0.52 -1.15 2.02 -2.05 -3.51 112.91 108.24 1vpx h THR 30 Ca 0.22 -0.10 -0.20 0.00 0.77 0.00 0.00 66.41 67.10 1vpx h THR 30 Cb 0.32 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1vpx h THR 30 CO -0.36 0.05 0.56 -0.76 0.37 0.00 0.00 175.52 175.39 1vpx s LEU 31 N -10.58 2.99 -0.14 2.58 1.43 -0.76 -5.11 118.68 109.09 1vpx s LEU 31 Ca -0.12 -0.73 0.12 0.00 -1.03 0.00 0.00 54.13 52.37 1vpx s LEU 31 Cb 0.25 -2.57 -0.17 0.00 0.03 0.00 0.00 46.19 43.73 1vpx s LEU 31 CO 0.77 -3.29 0.04 0.00 0.23 0.00 0.00 176.35 174.10 1vpx n ALA 37 N 15.77 1.66 -2.31 4.21 0.00 -1.26 -4.72 120.51 133.87 1vpx n ALA 37 Ca 0.43 -0.90 -0.39 0.00 0.00 0.00 0.00 53.44 52.58 1vpx n ALA 37 Cb 0.46 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 1vpx n ALA 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1vpx s GLU 38 N -2.33 4.25 0.02 0.00 4.04 -1.26 -5.04 118.70 118.38 1vpx s GLU 38 Ca -0.07 0.76 -0.24 0.00 0.04 0.00 0.00 54.97 55.46 1vpx s GLU 38 Cb 0.04 -3.27 -0.13 0.00 0.02 0.00 0.00 34.13 30.79 1vpx s GLU 38 CO 0.55 0.57 1.15 0.35 -1.84 0.00 0.00 175.26 176.04 1vpx h PHE 39 N 4.79 -0.80 -0.20 4.83 3.57 -1.99 -2.25 116.94 124.89 1vpx h PHE 39 Ca -0.48 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 60.98 1vpx h PHE 39 Cb 1.21 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 1vpx h PHE 39 CO 0.67 -0.50 0.04 0.87 -2.23 0.00 0.00 178.31 177.17 1vpx h LYS 40 N -1.03 0.29 -0.11 1.11 1.57 -1.99 -1.89 116.57 114.51 1vpx h LYS 40 Ca -0.09 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1vpx h LYS 40 Cb 0.66 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1vpx h LYS 40 CO 0.15 0.27 -0.13 1.96 -0.57 0.00 0.00 179.45 181.13 1vpx h GLN 41 N 0.29 0.28 -0.69 3.15 1.08 -1.99 -2.06 115.11 115.16 1vpx h GLN 41 Ca 0.07 -0.15 0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1vpx h GLN 41 Cb 0.12 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 1vpx h GLN 41 CO -0.00 0.71 0.46 -0.09 -0.95 0.00 0.00 178.83 178.95 1vpx h ARG 42 N -0.13 0.80 -0.41 1.46 9.65 -1.09 0.17 114.38 124.82 1vpx h ARG 42 Ca 0.02 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.73 1vpx h ARG 42 Cb 0.66 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 1vpx h ARG 42 CO 0.03 0.53 -0.21 0.28 2.80 0.00 0.00 179.97 183.40 1vpx h VAL 43 N 0.83 1.28 -0.15 0.20 2.07 -1.28 -1.86 116.25 117.34 1vpx h VAL 43 Ca 0.28 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1vpx h VAL 43 Cb 0.07 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1vpx h VAL 43 CO -0.08 0.46 0.06 0.50 0.02 0.00 0.00 177.57 178.52 1vpx h LYS 44 N 0.69 0.23 -0.75 1.57 3.11 -0.60 -1.25 116.57 119.57 1vpx h LYS 44 Ca 0.09 -0.04 0.06 0.00 -2.81 0.00 0.00 60.65 57.95 1vpx h LYS 44 Cb 0.77 -0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 31.91 1vpx h LYS 44 CO 0.06 0.32 0.44 0.93 -2.81 0.00 0.00 179.45 178.40 1vpx h GLU 45 N 0.08 0.78 -0.46 1.90 5.08 -0.98 -1.42 114.58 119.56 1vpx h GLU 45 Ca 0.05 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1vpx h GLU 45 Cb 0.19 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1vpx h GLU 45 CO -0.00 0.52 -0.04 0.82 -1.00 0.00 0.00 179.01 179.31 1vpx h ILE 46 N 0.81 1.27 -0.15 3.13 2.04 -1.19 -2.22 117.51 121.20 1vpx h ILE 46 Ca 0.33 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 65.10 1vpx h ILE 46 Cb 0.18 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1vpx h ILE 46 CO -0.18 0.39 -0.04 0.00 0.00 0.00 0.00 178.15 178.32 1vpx h ASP 48 N -0.01 0.00 0.02 0.00 5.19 -1.15 0.16 116.42 120.63 1vpx h ASP 48 Ca 0.07 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1vpx h ASP 48 Cb 0.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1vpx h ASP 48 CO -0.16 0.15 -0.01 0.25 -3.12 0.00 0.00 179.24 176.35 1vpx h LEU 49 N 0.00 -0.02 -0.10 1.55 6.46 -1.00 -3.38 115.31 118.83 1vpx h LEU 49 Ca -0.00 -0.40 -0.22 0.00 -0.12 0.00 0.00 57.88 57.13 1vpx h LEU 49 Cb 0.29 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1vpx h LEU 49 CO 0.02 0.67 -1.01 -0.37 -0.62 0.00 0.00 178.44 177.13 1vpx h VAL 50 N -0.99 1.54 -6.49 1.05 -1.51 -1.10 -3.48 116.25 105.27 1vpx h VAL 50 Ca -0.00 -2.92 -0.50 0.00 -1.23 0.00 0.00 66.70 62.05 1vpx h VAL 50 Cb 0.42 2.69 -0.02 0.00 -2.13 0.00 0.00 31.29 32.25 1vpx h VAL 50 CO 0.00 0.85 -0.92 0.29 -1.23 0.00 0.00 177.57 176.56 1vpx n LYS 51 N -3.56 -2.32 -3.83 5.19 5.02 0.57 -4.87 118.16 114.37 1vpx n LYS 51 Ca -0.04 0.37 -0.07 0.00 -2.02 0.00 0.00 58.31 56.55 1vpx n LYS 51 Cb 0.90 -4.18 0.02 0.00 -0.02 0.00 0.00 35.03 31.75 1vpx n LYS 51 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1vpx s GLY 52 N -4.05 0.33 0.08 0.72 0.00 -1.26 -5.02 107.32 98.11 1vpx s GLY 52 Ca 0.18 -0.67 -0.34 0.00 0.00 0.00 0.00 44.72 43.89 1vpx s GLY 52 CO 0.89 0.44 1.71 -1.05 0.00 0.00 0.00 173.10 175.09 1vpx n PRO 53 N -0.58 2.24 -4.03 2.90 -0.02 -1.24 -4.73 135.00 129.53 1vpx n PRO 53 Ca -0.07 0.81 -0.31 0.00 -2.02 0.00 0.00 63.50 61.91 1vpx n PRO 53 Cb 0.60 -2.62 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 1vpx n PRO 53 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vpx s VAL 54 N 2.14 2.04 -0.02 -1.45 1.01 -0.40 -0.54 120.40 123.17 1vpx s VAL 54 Ca 0.84 -1.69 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 1vpx s VAL 54 Cb -0.66 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1vpx s VAL 54 CO 0.42 -0.17 0.84 -0.44 0.00 0.00 0.00 175.10 175.75 1vpx s SER 55 N 1.13 7.19 -0.02 3.32 0.01 0.08 -0.87 113.70 124.53 1vpx s SER 55 Ca -0.04 1.44 -0.01 0.00 1.31 0.00 0.00 55.95 58.65 1vpx s SER 55 Cb -0.20 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.56 1vpx s SER 55 CO -0.06 -0.17 0.04 0.00 0.41 0.00 0.00 173.24 173.46 1vpx s ALA 56 N 0.82 -0.00 0.22 1.44 0.00 0.22 -1.74 121.76 122.71 1vpx s ALA 56 Ca 0.44 0.27 -0.10 0.00 0.00 0.00 0.00 51.96 52.57 1vpx s ALA 56 Cb -0.20 -0.20 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 1vpx s ALA 56 CO 0.23 -0.08 0.55 -1.83 0.00 0.00 0.00 175.76 174.63 1vpx s GLU 57 N 0.74 3.81 0.40 0.00 -1.05 -1.26 -0.96 118.70 120.38 1vpx s GLU 57 Ca -0.06 0.29 -0.04 0.00 -0.15 0.00 0.00 54.97 55.01 1vpx s GLU 57 Cb -0.09 -2.67 -0.04 0.00 -0.44 0.00 0.00 34.13 30.89 1vpx s GLU 57 CO -0.02 0.33 0.67 0.14 0.95 0.00 0.00 175.26 177.33 1vpx s VAL 58 N -1.78 4.98 -0.13 1.83 -7.23 -1.24 -4.92 120.40 111.90 1vpx s VAL 58 Ca 0.46 0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 60.37 1vpx s VAL 58 Cb -0.11 -3.83 -0.25 0.00 0.56 0.00 0.00 36.38 32.75 1vpx s VAL 58 CO 0.21 -0.63 0.82 0.58 -0.31 0.00 0.00 175.10 175.77 1vpx h VAL 59 N 0.68 1.75 -4.17 1.32 2.07 -1.96 -3.48 116.25 112.46 1vpx h VAL 59 Ca -0.48 -2.21 -0.48 0.00 0.82 0.00 0.00 66.70 64.35 1vpx h VAL 59 Cb 1.20 3.25 0.03 0.00 -1.52 0.00 0.00 31.29 34.26 1vpx h VAL 59 CO 0.63 0.57 0.38 -0.55 0.02 0.00 0.00 177.57 178.61 1vpx s SER 60 N -6.16 6.29 -0.00 0.57 0.15 -1.26 -4.99 113.70 108.30 1vpx s SER 60 Ca -0.19 1.72 0.06 0.00 0.70 0.00 0.00 55.95 58.24 1vpx s SER 60 Cb -0.02 -2.53 -0.07 0.00 -1.71 0.00 0.00 66.02 61.69 1vpx s SER 60 CO 0.69 -0.82 0.22 0.18 1.20 0.00 0.00 173.24 174.71 1vpx n LEU 61 N -1.62 0.21 -4.81 3.45 4.77 -1.26 -4.47 117.00 113.27 1vpx n LEU 61 Ca 0.08 -0.40 -0.33 0.00 -0.03 0.00 0.00 56.01 55.32 1vpx n LEU 61 Cb 0.53 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1vpx n LEU 61 CO 0.45 0.05 0.66 1.51 -1.33 0.00 0.00 177.39 178.74 1vpx s ASP 62 N -1.76 6.86 0.16 -1.43 -4.77 -1.26 -4.72 116.67 109.75 1vpx s ASP 62 Ca 0.01 1.74 -0.20 0.00 -3.30 0.00 0.00 52.55 50.80 1vpx s ASP 62 Cb 0.04 -2.55 0.07 0.00 -1.09 0.00 0.00 42.92 39.39 1vpx s ASP 62 CO 0.23 -0.41 1.64 0.22 0.70 0.00 0.00 175.17 177.55 1vpx h TYR 63 N 1.91 -0.46 -0.16 2.11 3.20 -1.95 0.13 116.97 121.77 1vpx h TYR 63 Ca -0.49 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1vpx h TYR 63 Cb 1.19 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.70 1vpx h TYR 63 CO 0.61 -0.26 0.11 0.93 -1.64 0.00 0.00 178.16 177.91 1vpx h GLU 64 N -0.13 0.21 -0.59 1.82 3.07 -1.94 -1.76 114.58 115.26 1vpx h GLU 64 Ca 0.17 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.98 1vpx h GLU 64 Cb 0.40 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 1vpx h GLU 64 CO -0.42 0.14 0.21 0.78 -1.40 0.00 0.00 179.01 178.32 1vpx h GLY 65 N 0.21 0.96 0.83 -3.84 0.00 -1.89 0.02 103.07 99.36 1vpx h GLY 65 Ca 0.06 -0.55 0.03 0.00 0.00 0.00 0.00 47.33 46.87 1vpx h GLY 65 CO -0.01 0.52 0.19 -0.33 0.00 0.00 0.00 176.54 176.91 1vpx h MET 66 N 0.82 0.38 -0.17 4.80 2.86 -0.72 -0.91 114.93 121.99 1vpx h MET 66 Ca 0.19 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1vpx h MET 66 Cb 0.25 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1vpx h MET 66 CO -0.01 0.25 0.02 0.28 1.06 0.00 0.00 176.91 178.52 1vpx h VAL 67 N 0.39 1.23 -0.27 -2.22 2.07 -1.18 0.63 116.25 116.90 1vpx h VAL 67 Ca 0.16 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 67.00 1vpx h VAL 67 Cb 0.06 1.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 1vpx h VAL 67 CO -0.11 0.22 -0.28 -0.09 0.02 0.00 0.00 177.57 177.34 1vpx h ARG 68 N 0.07 -0.26 -0.17 1.57 2.43 -0.85 -1.97 114.38 115.20 1vpx h ARG 68 Ca 0.05 0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 1vpx h ARG 68 Cb 0.32 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1vpx h ARG 68 CO 0.00 -0.18 -0.56 0.93 -1.51 0.00 0.00 179.97 178.66 1vpx h GLU 69 N -0.27 0.52 -0.50 0.20 5.08 -1.06 -2.91 114.58 115.64 1vpx h GLU 69 Ca 0.14 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1vpx h GLU 69 Cb 0.50 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1vpx h GLU 69 CO -0.43 0.94 0.26 0.00 -1.00 0.00 0.00 179.01 178.78 1vpx h ALA 70 N 0.99 0.63 -0.94 3.43 0.00 -0.70 -0.65 119.26 122.03 1vpx h ALA 70 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1vpx h ALA 70 Cb 1.10 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1vpx h ALA 70 CO 0.10 -0.08 0.56 0.00 0.00 0.00 0.00 179.25 179.84 1vpx h ARG 71 N 0.51 1.28 -0.15 0.00 3.08 -1.26 0.80 114.38 118.65 1vpx h ARG 71 Ca 0.21 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 1vpx h ARG 71 Cb 0.10 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 1vpx h ARG 71 CO -0.14 0.90 -0.05 1.49 -1.07 0.00 0.00 179.97 181.10 1vpx h GLU 72 N 1.29 0.30 -0.77 0.04 4.81 -1.28 -2.95 114.58 116.03 1vpx h GLU 72 Ca 0.34 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1vpx h GLU 72 Cb -0.05 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1vpx h GLU 72 CO -0.06 0.60 0.32 -0.07 -0.73 0.00 0.00 179.01 179.07 1vpx h LEU 73 N -0.02 1.04 -1.62 1.64 3.38 -0.95 -2.84 115.31 115.95 1vpx h LEU 73 Ca 0.04 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1vpx h LEU 73 Cb 0.50 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1vpx h LEU 73 CO 0.02 0.91 0.32 0.00 0.09 0.00 0.00 178.44 179.79 1vpx h ALA 74 N 1.24 1.84 0.00 1.53 0.00 -0.80 -1.55 119.26 121.52 1vpx h ALA 74 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1vpx h ALA 74 Cb 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1vpx h ALA 74 CO -0.02 0.09 -0.01 1.96 0.00 0.00 0.00 179.25 181.27 1vpx h GLN 75 N 0.49 0.00 -0.62 0.00 1.08 -1.32 -3.05 115.11 111.69 1vpx h GLN 75 Ca 0.20 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.37 1vpx h GLN 75 Cb 0.19 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 1vpx h GLN 75 CO -0.05 0.01 0.27 0.82 -0.95 0.00 0.00 178.83 178.92 1vpx h ILE 76 N 0.00 1.23 -1.67 2.54 5.03 -1.39 -3.46 117.51 119.79 1vpx h ILE 76 Ca -0.00 -0.69 0.05 0.00 -0.12 0.00 0.00 64.86 64.10 1vpx h ILE 76 Cb 0.12 0.52 -0.22 0.00 -3.03 0.00 0.00 36.82 34.20 1vpx h ILE 76 CO 0.00 0.27 0.46 -0.55 -0.68 0.00 0.00 178.15 177.65 1vpx s SER 77 N -6.09 -0.44 0.60 1.72 0.15 -1.15 -4.95 113.70 103.52 1vpx s SER 77 Ca -0.13 0.50 0.37 0.00 0.70 0.00 0.00 55.95 57.38 1vpx s SER 77 Cb 0.13 0.38 1.86 0.00 -1.71 0.00 0.00 66.02 66.68 1vpx s SER 77 CO 0.80 -0.40 2.18 1.05 1.20 0.00 0.00 173.24 178.07 1vpx h GLU 78 N 2.72 0.00 0.00 5.44 4.11 -1.90 -2.84 114.58 122.11 1vpx h GLU 78 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 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 0.32 0.03 -0.02 1.88 0.07 0.00 0.00 179.01 181.30 1vpx h TYR 79 N 0.00 0.00 -3.05 2.06 0.05 -1.91 -3.47 116.97 110.65 1vpx h TYR 79 Ca -0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 1vpx h TYR 79 Cb 0.23 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.00 1vpx h TYR 79 CO 0.00 0.00 0.75 0.08 -1.05 0.00 0.00 178.16 177.94 1vpx s VAL 80 N -3.11 3.08 -0.09 -2.88 1.01 -1.07 -1.28 120.40 116.07 1vpx s VAL 80 Ca 0.10 0.80 0.03 0.00 0.00 0.00 0.00 61.98 62.92 1vpx s VAL 80 Cb 0.12 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1vpx s VAL 80 CO 0.60 0.08 -0.21 -0.69 0.00 0.00 0.00 175.10 174.88 1vpx s VAL 81 N 0.88 2.40 -0.23 2.92 1.01 -0.05 -4.60 120.40 122.72 1vpx s VAL 81 Ca 0.64 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 61.52 1vpx s VAL 81 Cb -0.39 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1vpx s VAL 81 CO 0.33 0.56 0.56 -0.63 0.00 0.00 0.00 175.10 175.91 1vpx s ILE 82 N 0.11 5.06 -0.13 2.22 -1.09 -0.27 -0.61 121.20 126.48 1vpx s ILE 82 Ca -0.10 1.00 -0.29 0.00 -2.23 0.00 0.00 60.65 59.02 1vpx s ILE 82 Cb -0.16 -3.87 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 1vpx s ILE 82 CO 0.06 0.10 1.10 -0.54 -1.23 0.00 0.00 174.94 174.43 1vpx s LYS 83 N 2.10 4.34 -0.09 2.79 1.02 -0.14 -0.40 119.74 129.36 1vpx s LYS 83 Ca 0.24 1.50 0.03 0.00 0.02 0.00 0.00 55.97 57.76 1vpx s LYS 83 Cb -0.16 -3.60 0.01 0.00 -0.52 0.00 0.00 37.83 33.56 1vpx s LYS 83 CO 0.09 -0.47 -0.20 0.42 -0.92 0.00 0.00 175.35 174.27 1vpx s ILE 84 N 2.53 1.78 0.46 2.17 -1.09 0.44 -3.72 121.20 123.76 1vpx s ILE 84 Ca 0.50 -0.85 -0.23 0.00 -2.23 0.00 0.00 60.65 57.85 1vpx s ILE 84 Cb -0.20 -1.56 -0.07 0.00 -1.58 0.00 0.00 42.46 39.05 1vpx s ILE 84 CO 0.16 0.50 1.15 -2.16 -1.23 0.00 0.00 174.94 173.36 1vpx s PRO 85 N 0.51 3.77 -0.86 2.79 0.04 -1.26 -0.70 135.00 139.30 1vpx s PRO 85 Ca -0.16 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 62.36 1vpx s PRO 85 Cb -0.17 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 31.92 1vpx s PRO 85 CO 0.06 -0.53 2.02 1.41 0.04 0.00 0.00 177.00 180.00 1vpx s MET 86 N -2.72 2.40 0.15 4.56 -2.45 -0.29 -4.41 119.30 116.53 1vpx s MET 86 Ca 0.64 -0.08 -0.02 0.00 -1.25 0.00 0.00 55.69 54.98 1vpx s MET 86 Cb -0.27 -4.97 -0.04 0.00 1.25 0.00 0.00 34.83 30.80 1vpx s MET 86 CO 0.33 -3.51 0.10 0.95 1.05 0.00 0.00 175.02 173.94 1vpx s THR 87 N 10.80 0.08 0.16 10.11 -4.23 -1.26 -5.00 115.64 126.31 1vpx s THR 87 Ca 0.74 -1.88 -0.21 0.00 -1.18 0.00 0.00 61.69 59.16 1vpx s THR 87 Cb -0.08 -2.12 0.07 0.00 1.34 0.00 0.00 72.50 71.71 1vpx s THR 87 CO 0.02 -0.35 1.62 -0.65 -0.54 0.00 0.00 174.62 174.72 1vpx h PRO 88 N 2.78 -0.20 -0.74 3.99 0.11 -1.99 0.63 132.00 136.58 1vpx h PRO 88 Ca -0.35 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 1vpx h PRO 88 Cb 1.21 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1vpx h PRO 88 CO 0.57 -0.13 0.32 -0.44 -0.21 0.00 0.00 178.00 178.10 1vpx h ASP 89 N -0.21 1.00 -0.94 -2.05 3.32 -1.94 -0.60 116.42 115.00 1vpx h ASP 89 Ca 0.17 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.10 1vpx h ASP 89 Cb 0.48 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.72 1vpx h ASP 89 CO -0.47 0.88 0.62 1.23 -1.72 0.00 0.00 179.24 179.78 1vpx h GLY 90 N 1.05 1.35 1.33 2.75 0.00 -1.65 0.55 103.07 108.45 1vpx h GLY 90 Ca 0.25 -0.47 -0.17 0.00 0.00 0.00 0.00 47.33 46.95 1vpx h GLY 90 CO -0.02 0.41 -0.51 -2.22 0.00 0.00 0.00 176.54 174.19 1vpx h ILE 91 N 1.19 1.30 -0.64 2.60 1.08 -0.52 -0.75 117.51 121.77 1vpx h ILE 91 Ca 0.37 -1.72 -0.02 0.00 -0.39 0.00 0.00 64.86 63.10 1vpx h ILE 91 Cb -0.00 1.65 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 1vpx h ILE 91 CO -0.11 0.55 0.32 0.50 -0.69 0.00 0.00 178.15 178.72 1vpx h LYS 92 N 0.56 0.91 -0.41 2.37 3.64 -0.79 -2.12 116.57 120.74 1vpx h LYS 92 Ca 0.02 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 1vpx h LYS 92 Cb 1.08 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1vpx h LYS 92 CO 0.11 0.72 -0.09 0.00 -2.27 0.00 0.00 179.45 177.91 1vpx h ALA 93 N 1.15 1.08 -0.57 5.00 0.00 -0.64 -2.47 119.26 122.81 1vpx h ALA 93 Ca 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1vpx h ALA 93 Cb 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1vpx h ALA 93 CO -0.03 0.57 0.29 0.28 0.00 0.00 0.00 179.25 180.36 1vpx h VAL 94 N 0.65 1.20 -0.38 0.00 2.07 -0.94 0.78 116.25 119.63 1vpx h VAL 94 Ca 0.12 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1vpx h VAL 94 Cb 0.54 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1vpx h VAL 94 CO 0.03 0.22 0.17 0.50 0.02 0.00 0.00 177.57 178.51 1vpx h LYS 95 N 0.77 0.34 -0.18 1.57 3.64 -1.10 -0.07 116.57 121.53 1vpx h LYS 95 Ca 0.20 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1vpx h LYS 95 Cb 0.09 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1vpx h LYS 95 CO -0.03 0.22 0.02 1.15 -2.27 0.00 0.00 179.45 178.54 1vpx h THR 96 N 0.35 1.23 -0.44 1.00 2.02 -1.25 -2.78 112.91 113.04 1vpx h THR 96 Ca 0.16 -0.78 -0.13 0.00 0.77 0.00 0.00 66.41 66.44 1vpx h THR 96 Cb 0.10 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1vpx h THR 96 CO -0.14 0.24 -0.25 -0.07 0.37 0.00 0.00 175.52 175.67 1vpx h LEU 97 N 0.09 0.98 -0.65 2.58 3.38 -0.66 -2.84 115.31 118.19 1vpx h LEU 97 Ca 0.05 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.66 1vpx h LEU 97 Cb 0.34 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1vpx h LEU 97 CO 0.01 1.18 0.37 0.28 0.09 0.00 0.00 178.44 180.37 1vpx h SER 98 N 0.79 0.57 0.06 -0.43 0.02 -1.05 -0.55 113.55 112.96 1vpx h SER 98 Ca 0.09 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1vpx h SER 98 Cb 0.83 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 1vpx h SER 98 CO 0.07 0.38 -0.02 0.00 -1.14 0.00 0.00 176.83 176.12 1vpx h ALA 99 N 1.32 1.49 -0.55 3.77 0.00 -1.35 -1.70 119.26 122.25 1vpx h ALA 99 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1vpx h ALA 99 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1vpx h ALA 99 CO -0.15 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.51 1vpx n GLU 100 N -3.82 2.34 -1.15 0.00 1.02 -0.48 -4.95 120.64 113.61 1vpx n GLU 100 Ca -0.03 -2.08 -0.05 0.00 -0.02 0.00 0.00 57.16 54.98 1vpx n GLU 100 Cb 0.11 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 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 1.43 0.79 3.67 0.62 0.00 -0.64 -5.01 105.19 106.04 1vpx n GLY 101 Ca 0.19 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.17 5.26 0.29 -0.61 1.01 -0.34 -5.01 121.20 119.62 1vpx s ILE 102 Ca 0.00 0.52 -0.29 0.00 0.00 0.00 0.00 60.65 60.88 1vpx s ILE 102 Cb 0.00 -3.65 -0.09 0.00 0.01 0.00 0.00 42.46 38.73 1vpx s ILE 102 CO 0.00 0.28 1.05 -0.54 0.00 0.00 0.00 174.94 175.73 1vpx s LYS 103 N 1.23 4.62 0.08 2.79 3.01 -1.26 -3.86 119.74 126.35 1vpx s LYS 103 Ca 0.15 1.68 0.05 0.00 -1.01 0.00 0.00 55.97 56.83 1vpx s LYS 103 Cb -0.14 -3.11 -0.03 0.00 -1.01 0.00 0.00 37.83 33.54 1vpx s LYS 103 CO 0.07 0.24 -0.12 0.95 0.51 0.00 0.00 175.35 176.99 1vpx s THR 104 N -1.25 1.04 -0.24 2.17 -4.23 -1.26 -1.11 115.64 110.76 1vpx s THR 104 Ca 0.46 -1.44 -0.02 0.00 -1.18 0.00 0.00 61.69 59.51 1vpx s THR 104 Cb -0.29 -1.17 0.07 0.00 1.34 0.00 0.00 72.50 72.45 1vpx s THR 104 CO 0.37 -0.36 0.05 0.21 -0.54 0.00 0.00 174.62 174.35 1vpx s ASN 105 N -2.03 3.33 -0.17 3.99 2.47 0.46 -1.15 114.94 121.84 1vpx s ASN 105 Ca 0.01 -1.10 -0.28 0.00 0.42 0.00 0.00 52.86 51.91 1vpx s ASN 105 Cb -0.07 -0.69 -0.01 0.00 -1.45 0.00 0.00 41.25 39.03 1vpx s ASN 105 CO 0.02 -0.34 0.95 -0.69 -3.72 0.00 0.00 177.10 173.32 1vpx s VAL 106 N 1.78 4.79 0.48 -5.21 1.01 -0.52 -0.42 120.40 122.30 1vpx s VAL 106 Ca 0.02 1.88 0.05 0.00 0.00 0.00 0.00 61.98 63.93 1vpx s VAL 106 Cb -0.17 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1vpx s VAL 106 CO -0.15 -0.05 0.13 0.28 0.00 0.00 0.00 175.10 175.32 1vpx s THR 107 N 2.44 1.69 -1.25 3.92 -1.32 0.13 -0.27 115.64 120.97 1vpx s THR 107 Ca 0.43 -1.81 -0.00 0.00 -1.21 0.00 0.00 61.69 59.09 1vpx s THR 107 Cb -0.17 -2.51 -0.00 0.00 -1.51 0.00 0.00 72.50 68.32 1vpx s THR 107 CO 0.12 0.00 0.84 0.18 -2.21 0.00 0.00 174.62 173.55 1vpx n LEU 108 N -1.32 -3.58 -4.55 9.08 4.77 -1.25 -1.14 117.00 119.02 1vpx n LEU 108 Ca -0.09 -0.73 -0.37 0.00 -0.03 0.00 0.00 56.01 54.79 1vpx n LEU 108 Cb 0.66 -2.88 -0.11 0.00 -2.33 0.00 0.00 43.42 38.76 1vpx n LEU 108 CO 0.42 0.39 -0.20 -0.69 -1.33 0.00 0.00 177.39 175.98 1vpx s VAL 109 N -3.53 5.02 0.00 4.08 1.01 -1.21 -4.48 120.40 121.30 1vpx s VAL 109 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1vpx s VAL 109 Cb -0.00 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1vpx s VAL 109 CO 0.77 0.28 0.62 0.49 0.00 0.00 0.00 175.10 177.27 1vpx n PHE 110 N 4.97 0.00 -4.01 5.22 3.01 -1.26 -1.42 117.46 123.98 1vpx n PHE 110 Ca -0.15 -0.19 -0.08 0.00 1.01 0.00 0.00 57.45 58.04 1vpx n PHE 110 Cb 0.52 -0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 39.87 1vpx n PHE 110 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1vpx s SER 111 N -0.38 0.32 0.40 4.37 1.04 -1.26 -5.03 113.70 113.16 1vpx s SER 111 Ca 0.00 -0.70 0.13 0.00 0.48 0.00 0.00 55.95 55.86 1vpx s SER 111 Cb 0.00 0.18 0.84 0.00 0.10 0.00 0.00 66.02 67.14 1vpx s SER 111 CO 0.00 -0.47 1.91 -0.65 0.98 0.00 0.00 173.24 175.00 1vpx h PRO 112 N 3.79 0.03 -0.28 4.02 0.11 -1.97 -2.52 132.00 135.19 1vpx h PRO 112 Ca -0.33 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 1vpx h PRO 112 Cb 1.18 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1vpx h PRO 112 CO 0.53 0.30 0.17 0.00 -0.21 0.00 0.00 178.00 178.79 1vpx h ALA 113 N 1.71 0.35 -0.76 -0.75 0.00 -2.00 -1.49 119.26 116.32 1vpx h ALA 113 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1vpx h ALA 113 Cb 0.48 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1vpx h ALA 113 CO 0.03 -0.16 0.50 1.96 0.00 0.00 0.00 179.25 181.59 1vpx h GLN 114 N 0.36 0.98 -0.52 0.00 4.20 -1.94 -2.70 115.11 115.49 1vpx h GLN 114 Ca 0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1vpx h GLN 114 Cb -0.01 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.53 1vpx h GLN 114 CO -0.02 0.65 0.28 0.00 -0.67 0.00 0.00 178.83 179.07 1vpx h ALA 115 N 1.29 1.52 -0.25 3.87 0.00 -0.99 -1.34 119.26 123.35 1vpx h ALA 115 Ca 0.29 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 1vpx h ALA 115 Cb -0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1vpx h ALA 115 CO -0.07 0.40 -0.58 -0.84 0.00 0.00 0.00 179.25 178.17 1vpx h ILE 116 N 0.72 1.29 -0.58 0.00 3.07 -0.98 -2.29 117.51 118.75 1vpx h ILE 116 Ca 0.19 -1.78 -0.03 0.00 1.55 0.00 0.00 64.86 64.79 1vpx h ILE 116 Cb 0.03 1.71 -0.03 0.00 -0.27 0.00 0.00 36.82 38.26 1vpx h ILE 116 CO -0.03 0.57 0.25 -0.07 -1.05 0.00 0.00 178.15 177.82 1vpx h LEU 117 N 0.59 0.78 -0.22 0.16 3.38 -1.22 0.22 115.31 119.00 1vpx h LEU 117 Ca 0.01 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1vpx h LEU 117 Cb 1.17 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1vpx h LEU 117 CO 0.12 0.72 -0.05 0.00 0.09 0.00 0.00 178.44 179.33 1vpx h ALA 118 N 1.09 0.16 -0.52 1.53 0.00 -1.15 -0.41 119.26 119.95 1vpx h ALA 118 Ca 0.19 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1vpx h ALA 118 Cb 0.17 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1vpx h ALA 118 CO -0.02 -0.47 0.21 0.00 0.00 0.00 0.00 179.25 178.98 1vpx h ALA 119 N 1.22 0.67 -0.33 0.00 0.00 -1.15 -2.26 119.26 117.41 1vpx h ALA 119 Ca 0.11 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1vpx h ALA 119 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1vpx h ALA 119 CO -0.22 0.28 -0.05 0.87 0.00 0.00 0.00 179.25 180.12 1vpx h LYS 120 N 0.70 0.54 0.00 0.00 1.57 -0.56 -1.95 116.57 116.86 1vpx h LYS 120 Ca 0.17 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1vpx h LYS 120 Cb 0.19 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1vpx h LYS 120 CO -0.02 0.60 0.00 0.00 -0.57 0.00 0.00 179.45 179.47 1vpx h ALA 121 N 1.44 1.00 0.00 3.86 0.00 -0.94 -3.46 119.26 121.15 1vpx h ALA 121 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1vpx h ALA 121 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1vpx h ALA 121 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1vpx n GLY 122 N -0.11 1.50 3.74 0.00 0.00 -0.73 -3.69 105.19 105.90 1vpx n GLY 122 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.13 1.81 -0.03 4.61 0.00 -0.86 -4.84 120.51 120.07 1vpx n ALA 123 Ca 0.00 0.28 -0.16 0.00 0.00 0.00 0.00 53.44 53.56 1vpx n ALA 123 Cb 0.00 -2.35 -0.09 0.00 0.00 0.00 0.00 19.45 17.02 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 2.37 1.37 -3.54 0.00 2.02 -1.69 -3.35 112.91 110.09 1vpx h THR 124 Ca -0.49 -1.82 -0.34 0.00 0.77 0.00 0.00 66.41 64.52 1vpx h THR 124 Cb 1.27 2.20 -0.16 0.00 -1.74 0.00 0.00 68.15 69.72 1vpx h THR 124 CO 0.61 0.54 -0.73 -0.31 0.37 0.00 0.00 175.52 176.01 1vpx s TYR 125 N -3.68 1.22 0.02 3.16 2.02 -0.30 -0.84 117.35 118.96 1vpx s TYR 125 Ca -0.13 -0.68 0.05 0.00 -0.37 0.00 0.00 57.07 55.95 1vpx s TYR 125 Cb 0.05 -0.64 -0.02 0.00 -0.40 0.00 0.00 41.96 40.96 1vpx s TYR 125 CO 0.82 0.07 -0.15 0.54 -1.57 0.00 0.00 175.55 175.26 1vpx s VAL 126 N -2.76 1.22 -0.48 0.71 0.11 -0.19 -1.44 120.40 117.57 1vpx s VAL 126 Ca 0.11 -0.92 0.03 0.00 -2.93 0.00 0.00 61.98 58.27 1vpx s VAL 126 Cb -0.01 -1.07 0.13 0.00 -1.53 0.00 0.00 36.38 33.90 1vpx s VAL 126 CO 0.01 0.13 0.24 -0.44 -3.33 0.00 0.00 175.10 171.71 1vpx s SER 127 N -0.91 4.10 0.23 3.54 0.01 0.63 -0.41 113.70 120.89 1vpx s SER 127 Ca 0.04 -2.81 -0.30 0.00 1.31 0.00 0.00 55.95 54.19 1vpx s SER 127 Cb -0.07 -1.42 -0.09 0.00 0.21 0.00 0.00 66.02 64.65 1vpx s SER 127 CO 0.01 -0.25 1.24 -2.84 0.41 0.00 0.00 173.24 171.81 1vpx s PRO 128 N 0.02 4.45 -0.77 12.44 0.02 -1.23 -3.28 135.00 146.66 1vpx s PRO 128 Ca 0.17 1.99 -0.17 0.00 0.02 0.00 0.00 61.00 63.00 1vpx s PRO 128 Cb -0.25 -3.19 0.15 0.00 0.02 0.00 0.00 34.50 31.23 1vpx s PRO 128 CO -0.01 -0.12 0.84 -0.06 -0.33 0.00 0.00 177.00 177.32 1vpx s PHE 129 N -0.33 3.31 0.01 6.54 0.40 -0.50 -1.45 117.98 125.96 1vpx s PHE 129 Ca 0.52 -1.46 -0.20 0.00 -0.60 0.00 0.00 56.93 55.19 1vpx s PHE 129 Cb -0.35 -4.01 -0.11 0.00 0.51 0.00 0.00 43.02 39.05 1vpx s PHE 129 CO 0.40 -1.23 0.98 0.28 0.70 0.00 0.00 175.22 176.35 1vpx h VAL 130 N 5.50 0.00 -0.82 -0.44 2.07 -1.55 -3.11 116.25 117.90 1vpx h VAL 130 Ca -0.03 -0.27 0.10 0.00 0.82 0.00 0.00 66.70 67.32 1vpx h VAL 130 Cb 1.05 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1vpx h VAL 130 CO 0.98 0.00 0.54 1.23 0.02 0.00 0.00 177.57 180.34 1vpx h GLY 131 N -1.01 1.12 1.52 2.17 0.00 -1.02 0.12 103.07 105.96 1vpx h GLY 131 Ca -0.08 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 1vpx h GLY 131 CO 0.12 0.19 -0.44 3.21 0.00 0.00 0.00 176.54 179.62 1vpx h ARG 132 N 0.78 0.53 -0.27 4.80 3.08 -1.78 -2.37 114.38 119.15 1vpx h ARG 132 Ca 0.38 -0.28 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 1vpx h ARG 132 Cb 0.43 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1vpx h ARG 132 CO -0.15 0.87 -0.41 0.52 -1.07 0.00 0.00 179.97 179.72 1vpx h MET 133 N 0.43 0.76 -0.89 0.04 2.86 -1.19 -3.09 114.93 113.85 1vpx h MET 133 Ca 0.03 -0.45 0.18 0.00 -2.06 0.00 0.00 59.70 57.40 1vpx h MET 133 Cb 0.94 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 32.54 1vpx h MET 133 CO 0.08 1.08 0.45 -0.44 1.06 0.00 0.00 176.91 179.14 1vpx h ASP 134 N 0.51 0.50 1.19 1.22 3.32 -0.89 -1.84 116.42 120.42 1vpx h ASP 134 Ca 0.03 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1vpx h ASP 134 Cb 1.01 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1vpx h ASP 134 CO 0.10 0.15 -0.05 0.44 -1.72 0.00 0.00 179.24 178.15 1vpx h ASP 135 N 0.56 0.00 0.57 6.45 3.32 -1.34 -0.23 116.42 125.75 1vpx h ASP 135 Ca 0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.56 1vpx h ASP 135 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1vpx h ASP 135 CO -0.42 0.05 0.00 0.18 -1.72 0.00 0.00 179.24 177.33 1vpx n LEU 136 N -3.15 0.00 -1.26 1.55 4.77 -0.71 -4.92 117.00 113.29 1vpx n LEU 136 Ca 0.01 0.30 -0.16 0.00 -0.03 0.00 0.00 56.01 56.14 1vpx n LEU 136 Cb 0.38 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1vpx n LEU 136 CO 0.30 -0.02 -0.15 -1.20 -1.33 0.00 0.00 177.39 174.99 1vpx n SER 137 N -1.30 -4.88 -1.25 -1.43 7.64 -0.10 -4.89 113.62 107.41 1vpx n SER 137 Ca 0.13 0.35 0.11 0.00 1.01 0.00 0.00 58.87 60.47 1vpx n SER 137 Cb 0.24 -3.78 0.30 0.00 -1.01 0.00 0.00 64.21 59.95 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 -0.58 3.62 -2.42 6.43 5.03 -1.13 -5.03 115.26 121.19 1vpx n ASN 138 Ca -0.16 -2.00 -0.03 0.00 0.87 0.00 0.00 54.58 53.27 1vpx n ASN 138 Cb 0.53 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.86 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 1.49 -6.36 0.08 6.41 -0.08 -1.25 -4.84 116.55 112.01 1vpx n ASP 139 Ca 0.23 0.76 0.00 0.00 -1.51 0.00 0.00 54.79 54.27 1vpx n ASP 139 Cb 0.58 -4.18 0.31 0.00 2.34 0.00 0.00 41.12 40.17 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 1.88 0.33 1.90 0.27 0.00 -1.76 -2.67 103.07 103.02 1vpx h GLY 140 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1vpx h GLY 140 CO 0.10 0.21 -0.34 1.98 0.00 0.00 0.00 176.54 178.50 1vpx h MET 141 N 0.28 0.12 -0.27 4.80 -1.53 -1.93 -1.06 114.93 115.33 1vpx h MET 141 Ca 0.05 -0.05 -0.17 0.00 -3.44 0.00 0.00 59.70 56.09 1vpx h MET 141 Cb 0.52 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.57 1vpx h MET 141 CO 0.04 0.45 -0.50 -0.09 0.14 0.00 0.00 176.91 176.94 1vpx h ARG 142 N 0.11 0.82 -0.54 0.39 2.43 -1.84 -1.42 114.38 114.33 1vpx h ARG 142 Ca 0.01 -0.52 -0.10 0.00 -0.81 0.00 0.00 59.98 58.56 1vpx h ARG 142 Cb 0.66 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1vpx h ARG 142 CO 0.05 1.15 -0.06 0.00 -1.51 0.00 0.00 179.97 179.60 1vpx h MET 143 N 0.59 0.96 -0.60 0.20 -0.00 -1.26 -1.40 114.93 113.42 1vpx h MET 143 Ca 0.01 -0.32 0.01 0.00 -0.00 0.00 0.00 59.70 59.40 1vpx h MET 143 Cb 1.11 -0.08 -0.03 0.00 -0.00 0.00 0.00 31.60 32.60 1vpx h MET 143 CO 0.11 0.98 0.40 1.25 -0.00 0.00 0.00 176.91 179.65 1vpx h LEU 144 N 0.87 0.68 -1.44 -0.10 5.85 -1.20 -2.51 115.31 117.47 1vpx h LEU 144 Ca 0.15 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1vpx h LEU 144 Cb 0.59 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1vpx h LEU 144 CO 0.04 0.49 -0.04 1.23 -0.34 0.00 0.00 178.44 179.82 1vpx h GLY 145 N 0.81 0.33 1.00 3.75 0.00 -0.82 -0.29 103.07 107.85 1vpx h GLY 145 Ca 0.22 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 1vpx h GLY 145 CO -0.05 0.17 -0.14 0.83 0.00 0.00 0.00 176.54 177.35 1vpx h GLU 146 N 0.30 0.81 -0.34 4.80 5.08 -0.98 -2.01 114.58 122.23 1vpx h GLU 146 Ca 0.07 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 1vpx h GLU 146 Cb 0.28 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1vpx h GLU 146 CO 0.01 0.95 0.04 0.82 -1.00 0.00 0.00 179.01 179.83 1vpx h ILE 147 N 0.62 1.24 -0.32 3.13 2.04 -1.02 -0.25 117.51 122.95 1vpx h ILE 147 Ca 0.10 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.14 1vpx h ILE 147 Cb 0.69 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 1vpx h ILE 147 CO 0.05 0.29 0.01 0.58 0.00 0.00 0.00 178.15 179.08 1vpx h VAL 148 N 0.40 0.78 -0.19 1.67 2.07 -1.05 -0.78 116.25 119.14 1vpx h VAL 148 Ca 0.10 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1vpx h VAL 148 Cb 0.38 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1vpx h VAL 148 CO 0.01 0.02 0.08 -0.08 0.02 0.00 0.00 177.57 177.62 1vpx h GLU 149 N 0.11 0.18 -0.59 1.57 4.57 -1.13 0.14 114.58 119.43 1vpx h GLU 149 Ca 0.15 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 1vpx h GLU 149 Cb 0.20 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1vpx h GLU 149 CO -0.25 0.12 0.26 0.82 -1.18 0.00 0.00 179.01 178.78 1vpx h ILE 150 N 0.19 1.22 -0.08 2.32 2.04 -0.84 -0.20 117.51 122.15 1vpx h ILE 150 Ca 0.08 -0.65 -0.11 0.00 1.00 0.00 0.00 64.86 65.17 1vpx h ILE 150 Cb 0.03 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1vpx h ILE 150 CO -0.06 0.26 -0.45 1.88 0.00 0.00 0.00 178.15 179.77 1vpx h TYR 151 N 0.81 0.24 -0.53 1.37 -1.99 -0.82 -2.06 116.97 113.99 1vpx h TYR 151 Ca 0.20 -0.07 -0.11 0.00 2.00 0.00 0.00 58.73 60.75 1vpx h TYR 151 Cb 0.16 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.82 1vpx h TYR 151 CO 0.00 0.62 -0.09 -0.91 -0.00 0.00 0.00 178.16 177.79 1vpx h ASN 152 N 0.17 0.96 -0.97 3.88 2.35 -0.38 -0.47 115.58 121.11 1vpx h ASN 152 Ca 0.01 -0.30 0.05 0.00 -0.55 0.00 0.00 56.30 55.51 1vpx h ASN 152 Cb 0.87 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.92 1vpx h ASN 152 CO 0.07 1.07 0.63 0.78 -1.65 0.00 0.00 177.43 178.33 1vpx h ASN 153 N 0.87 1.03 -0.00 5.81 2.35 -0.32 -3.25 115.58 122.07 1vpx h ASN 153 Ca 0.14 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1vpx h ASN 153 Cb 0.63 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1vpx h ASN 153 CO 0.04 0.68 -0.30 -1.22 -1.65 0.00 0.00 177.43 174.99 1vpx n TYR 154 N -4.47 0.00 -3.44 1.19 4.01 -1.07 -5.00 117.16 108.39 1vpx n TYR 154 Ca 0.14 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.63 1vpx n TYR 154 Cb 0.14 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.21 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 1.02 -0.52 3.68 2.72 0.00 -0.19 -4.92 105.19 106.98 1vpx n GLY 155 Ca 0.03 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.55 2.18 0.22 1.61 3.72 -1.24 -4.86 117.46 114.54 1vpx n PHE 156 Ca -0.03 0.53 0.08 0.00 -0.05 0.00 0.00 57.45 57.98 1vpx n PHE 156 Cb 0.57 -2.42 0.52 0.00 -0.94 0.00 0.00 39.48 37.22 1vpx n PHE 156 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1vpx h GLU 157 N 2.93 0.00 -6.44 -1.08 3.07 -1.91 -3.44 114.58 107.71 1vpx h GLU 157 Ca -0.45 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 57.79 1vpx h GLU 157 Cb 1.29 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 29.28 1vpx h GLU 157 CO 0.66 0.24 0.37 2.41 -1.40 0.00 0.00 179.01 181.29 1vpx n THR 158 N -3.79 1.04 -4.00 1.13 -1.04 -1.26 -4.97 114.28 101.39 1vpx n THR 158 Ca -0.01 -0.26 -0.34 0.00 -2.04 0.00 0.00 64.05 61.39 1vpx n THR 158 Cb 0.34 -1.07 -0.06 0.00 -1.82 0.00 0.00 70.33 67.72 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 -0.53 3.28 -0.24 -2.82 2.02 -0.02 -4.94 118.70 115.45 1vpx s GLU 159 Ca 0.70 -0.34 -0.16 0.00 0.02 0.00 0.00 54.97 55.20 1vpx s GLU 159 Cb -0.77 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 30.41 1vpx s GLU 159 CO 0.52 0.69 0.40 0.42 0.02 0.00 0.00 175.26 177.31 1vpx s ILE 160 N -1.17 5.17 -0.50 -1.63 1.01 -1.26 -1.02 121.20 121.80 1vpx s ILE 160 Ca 0.22 0.66 -0.15 0.00 0.00 0.00 0.00 60.65 61.37 1vpx s ILE 160 Cb -0.12 -3.72 0.10 0.00 0.01 0.00 0.00 42.46 38.73 1vpx s ILE 160 CO 0.12 0.19 0.43 -0.63 0.00 0.00 0.00 174.94 175.05 1vpx s ILE 161 N 1.77 5.09 -0.15 2.92 1.01 0.45 -1.32 121.20 130.96 1vpx s ILE 161 Ca 0.17 -1.33 -0.29 0.00 0.00 0.00 0.00 60.65 59.20 1vpx s ILE 161 Cb -0.15 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 38.09 1vpx s ILE 161 CO 0.09 -0.72 2.15 0.00 0.00 0.00 0.00 174.94 176.46 1vpx n ALA 162 N 5.18 1.68 -2.65 9.38 0.00 0.20 -3.51 120.51 130.79 1vpx n ALA 162 Ca -0.13 -0.11 -0.31 0.00 0.00 0.00 0.00 53.44 52.90 1vpx n ALA 162 Cb 0.42 -2.83 -0.06 0.00 0.00 0.00 0.00 19.45 16.97 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 7.17 4.08 -1.41 0.00 0.00 -0.53 -1.82 121.76 129.25 1vpx s ALA 163 Ca 0.98 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 52.05 1vpx s ALA 163 Cb -0.39 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.61 1vpx s ALA 163 CO 0.38 -0.13 0.84 0.45 0.00 0.00 0.00 175.76 177.30 1vpx n SER 164 N -1.35 -2.88 -4.70 0.00 2.88 -1.26 -1.82 113.62 104.49 1vpx n SER 164 Ca -0.13 -0.79 -0.40 0.00 -1.33 0.00 0.00 58.87 56.22 1vpx n SER 164 Cb 0.66 -4.01 -0.05 0.00 -0.75 0.00 0.00 64.21 60.06 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 -3.51 5.04 -0.01 2.46 -1.09 -1.26 -0.63 121.20 122.20 1vpx s ILE 165 Ca 0.30 1.35 0.03 0.00 -2.23 0.00 0.00 60.65 60.11 1vpx s ILE 165 Cb -0.15 -4.00 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 1vpx s ILE 165 CO 0.82 0.20 0.06 0.54 -1.23 0.00 0.00 174.94 175.33 1vpx n ARG 166 N 4.21 0.85 -3.63 2.79 5.12 -1.26 -4.43 116.66 120.31 1vpx n ARG 166 Ca -0.01 -0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.78 1vpx n ARG 166 Cb 0.51 -1.08 -0.03 0.00 -1.16 0.00 0.00 32.46 30.70 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 -2.20 -0.31 0.37 -1.55 -3.43 -1.26 -4.93 115.29 101.98 1vpx s HIS 167 Ca -0.01 -0.00 0.14 0.00 -0.80 0.00 0.00 55.06 54.39 1vpx s HIS 167 Cb 0.02 0.52 0.98 0.00 -1.43 0.00 0.00 32.58 32.67 1vpx s HIS 167 CO 0.14 -0.95 1.80 -1.35 -2.00 0.00 0.00 174.74 172.38 1vpx h PRO 168 N 2.08 0.51 0.00 -0.38 0.11 -1.98 -2.24 132.00 130.10 1vpx h PRO 168 Ca -0.29 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.71 1vpx h PRO 168 Cb 1.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1vpx h PRO 168 CO 0.35 0.33 -0.37 0.52 -0.21 0.00 0.00 178.00 178.63 1vpx h MET 169 N 0.52 0.00 -0.58 1.05 2.86 -1.98 -0.82 114.93 115.97 1vpx h MET 169 Ca 0.54 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 58.23 1vpx h MET 169 Cb 1.18 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.80 1vpx h MET 169 CO -0.28 0.37 0.33 0.45 1.06 0.00 0.00 176.91 178.84 1vpx h HIS 170 N 0.00 0.61 -0.23 -0.22 3.86 -1.82 0.04 115.15 117.39 1vpx h HIS 170 Ca -0.00 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.11 1vpx h HIS 170 Cb 0.69 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 1vpx h HIS 170 CO 0.00 0.32 -0.30 0.28 0.86 0.00 0.00 177.93 179.09 1vpx h VAL 171 N 0.63 1.32 -0.33 2.45 2.07 -1.35 -1.45 116.25 119.60 1vpx h VAL 171 Ca 0.25 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 1vpx h VAL 171 Cb 0.11 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1vpx h VAL 171 CO -0.14 0.47 0.07 0.58 0.02 0.00 0.00 177.57 178.56 1vpx h VAL 172 N 0.30 1.23 -0.63 2.57 2.07 -1.11 -0.99 116.25 119.68 1vpx h VAL 172 Ca 0.03 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1vpx h VAL 172 Cb 0.88 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1vpx h VAL 172 CO 0.07 0.26 0.21 -0.33 0.02 0.00 0.00 177.57 177.80 1vpx h GLU 173 N 0.38 0.98 -0.77 1.57 5.08 -0.99 0.33 114.58 121.15 1vpx h GLU 173 Ca 0.10 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1vpx h GLU 173 Cb 0.32 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1vpx h GLU 173 CO 0.00 0.85 0.48 0.00 -1.00 0.00 0.00 179.01 179.35 1vpx h ALA 174 N 1.08 0.98 -0.43 3.43 0.00 -1.19 -2.10 119.26 121.02 1vpx h ALA 174 Ca 0.21 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1vpx h ALA 174 Cb 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1vpx h ALA 174 CO -0.01 0.42 -0.20 0.00 0.00 0.00 0.00 179.25 179.47 1vpx h ALA 175 N 1.26 0.83 -0.02 0.00 0.00 -0.88 -1.74 119.26 118.71 1vpx h ALA 175 Ca 0.28 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1vpx h ALA 175 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1vpx h ALA 175 CO -0.06 0.64 -0.22 -0.07 0.00 0.00 0.00 179.25 179.55 1vpx h LEU 176 N 0.74 0.04 -0.35 0.00 3.38 -0.52 -1.57 115.31 117.03 1vpx h LEU 176 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1vpx h LEU 176 Cb 0.73 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1vpx h LEU 176 CO 0.06 0.26 -0.29 1.15 0.09 0.00 0.00 178.44 179.71 1vpx n MET 177 N -4.26 0.63 -2.41 1.13 0.00 -0.83 -4.98 117.12 106.40 1vpx n MET 177 Ca -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 57.70 57.32 1vpx n MET 177 Cb 0.29 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.02 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 1.37 0.77 3.75 3.17 0.00 -0.59 -4.98 105.19 108.68 1vpx n GLY 178 Ca 0.11 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 1vpx n GLY 178 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vpx s VAL 179 N -2.77 2.11 0.04 1.61 1.01 -0.73 -4.93 120.40 116.74 1vpx s VAL 179 Ca 0.02 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 1vpx s VAL 179 Cb -0.01 -3.04 -0.14 0.00 0.00 0.00 0.00 36.38 33.19 1vpx s VAL 179 CO 0.02 -0.01 1.37 0.44 0.00 0.00 0.00 175.10 176.92 1vpx h ASP 180 N 1.19 0.32 -4.20 3.32 3.32 -1.90 -3.46 116.42 115.01 1vpx h ASP 180 Ca -0.51 -0.44 -0.19 0.00 0.02 0.00 0.00 57.03 55.91 1vpx h ASP 180 Cb 1.31 -0.09 -0.25 0.00 0.22 0.00 0.00 39.33 40.52 1vpx h ASP 180 CO 0.56 0.69 -0.64 -0.63 -1.72 0.00 0.00 179.24 177.50 1vpx s ILE 181 N -4.46 0.04 -0.12 0.35 1.01 -0.44 -1.30 121.20 116.28 1vpx s ILE 181 Ca -0.14 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1vpx s ILE 181 Cb 0.05 -0.18 0.01 0.00 0.01 0.00 0.00 42.46 42.35 1vpx s ILE 181 CO 0.74 -0.17 -0.19 0.54 0.00 0.00 0.00 174.94 175.86 1vpx s VAL 182 N -0.51 1.78 -0.19 2.92 0.11 -0.52 -0.63 120.40 123.37 1vpx s VAL 182 Ca -0.06 -0.82 -0.06 0.00 -2.93 0.00 0.00 61.98 58.10 1vpx s VAL 182 Cb -0.04 -1.59 -0.03 0.00 -1.53 0.00 0.00 36.38 33.19 1vpx s VAL 182 CO 0.00 0.50 0.03 0.28 -3.33 0.00 0.00 175.10 172.58 1vpx s THR 183 N 0.78 4.44 0.04 5.04 -1.32 -0.75 -1.61 115.64 122.26 1vpx s THR 183 Ca -0.10 -0.15 -0.04 0.00 -1.21 0.00 0.00 61.69 60.19 1vpx s THR 183 Cb -0.16 -3.00 -0.02 0.00 -1.51 0.00 0.00 72.50 67.81 1vpx s THR 183 CO 0.01 0.45 0.05 0.00 -2.21 0.00 0.00 174.62 172.92 1vpx s MET 184 N 0.57 0.55 0.68 7.08 0.23 -0.84 -4.21 119.30 123.36 1vpx s MET 184 Ca 0.01 -0.82 -0.16 0.00 -1.03 0.00 0.00 55.69 53.70 1vpx s MET 184 Cb -0.13 0.21 0.01 0.00 -1.53 0.00 0.00 34.83 33.39 1vpx s MET 184 CO 0.02 -0.12 1.17 -2.14 -2.03 0.00 0.00 175.02 171.92 1vpx s PRO 185 N -2.67 2.49 0.24 3.16 0.02 -1.26 -0.70 135.00 136.28 1vpx s PRO 185 Ca -0.04 1.65 -0.06 0.00 0.02 0.00 0.00 61.00 62.56 1vpx s PRO 185 Cb -0.01 -1.89 0.25 0.00 0.02 0.00 0.00 34.50 32.87 1vpx s PRO 185 CO -0.05 -1.54 1.90 0.35 -0.33 0.00 0.00 177.00 177.33 1vpx h PHE 186 N 0.01 1.25 -0.90 6.54 3.04 -1.96 -1.87 116.94 123.05 1vpx h PHE 186 Ca -0.48 0.00 0.13 0.00 3.98 0.00 0.00 57.97 61.61 1vpx h PHE 186 Cb 1.28 -0.41 -0.07 0.00 2.56 0.00 0.00 35.95 39.31 1vpx h PHE 186 CO 0.49 0.82 0.58 0.00 -2.02 0.00 0.00 178.31 178.18 1vpx h ALA 187 N 1.33 1.77 -0.32 2.41 0.00 -1.97 0.44 119.26 122.93 1vpx h ALA 187 Ca 0.35 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 1vpx h ALA 187 Cb -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1vpx h ALA 187 CO -0.07 -0.01 -0.30 0.28 0.00 0.00 0.00 179.25 179.16 1vpx h VAL 188 N 0.75 1.29 -0.24 0.00 2.07 -1.71 -2.81 116.25 115.59 1vpx h VAL 188 Ca 0.45 -1.46 0.04 0.00 0.82 0.00 0.00 66.70 66.55 1vpx h VAL 188 Cb 0.65 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1vpx h VAL 188 CO -0.21 0.48 -0.02 0.25 0.02 0.00 0.00 177.57 178.09 1vpx h LEU 189 N 0.55 -0.14 -0.80 2.57 5.85 -0.73 -2.27 115.31 120.33 1vpx h LEU 189 Ca 0.05 0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.96 1vpx h LEU 189 Cb 0.87 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.93 1vpx h LEU 189 CO 0.08 -0.04 0.40 -0.33 -0.34 0.00 0.00 178.44 178.21 1vpx h GLU 190 N 0.05 0.60 -0.38 1.25 5.08 -0.90 -1.45 114.58 118.82 1vpx h GLU 190 Ca 0.11 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1vpx h GLU 190 Cb 0.16 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1vpx h GLU 190 CO -0.21 0.40 0.23 0.87 -1.00 0.00 0.00 179.01 179.29 1vpx h LYS 191 N 0.62 0.50 0.00 2.33 1.57 -1.15 -2.83 116.57 117.61 1vpx h LYS 191 Ca 0.42 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1vpx h LYS 191 Cb 0.54 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1vpx h LYS 191 CO -0.33 0.35 -0.01 -0.07 -0.57 0.00 0.00 179.45 178.83 1vpx h LEU 192 N 0.52 0.00 -1.14 2.94 3.38 -0.92 -1.69 115.31 118.40 1vpx h LEU 192 Ca 0.14 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1vpx h LEU 192 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1vpx h LEU 192 CO -0.03 0.01 -0.32 -0.26 0.09 0.00 0.00 178.44 177.92 1vpx h PHE 193 N 0.00 0.00 -3.04 1.13 -1.00 -1.55 -3.47 116.94 109.01 1vpx h PHE 193 Ca -0.00 0.00 -0.61 0.00 2.81 0.00 0.00 57.97 60.17 1vpx h PHE 193 Cb 0.01 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.52 1vpx h PHE 193 CO 0.00 0.32 -0.21 0.15 -1.61 0.00 0.00 178.31 176.96 1vpx s LYS 194 N -3.77 3.88 -0.25 1.51 1.02 -0.64 -5.08 119.74 116.41 1vpx s LYS 194 Ca -0.01 0.36 -0.20 0.00 0.02 0.00 0.00 55.97 56.14 1vpx s LYS 194 Cb 0.12 -3.16 0.07 0.00 -0.52 0.00 0.00 37.83 34.33 1vpx s LYS 194 CO 0.67 0.66 0.65 -1.58 -0.92 0.00 0.00 175.35 174.83 1vpx s HIS 195 N -1.16 -0.80 0.48 3.18 2.46 -1.26 -5.04 115.29 113.15 1vpx s HIS 195 Ca 0.26 1.82 0.20 0.00 0.47 0.00 0.00 55.06 57.81 1vpx s HIS 195 Cb -0.16 0.34 1.28 0.00 -0.13 0.00 0.00 32.58 33.91 1vpx s HIS 195 CO 0.14 -0.39 2.08 -1.00 -2.47 0.00 0.00 174.74 173.10 1vpx h PRO 196 N 5.66 0.00 -0.01 2.88 0.13 -2.00 -2.43 132.00 136.23 1vpx h PRO 196 Ca -0.29 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.68 1vpx h PRO 196 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1vpx h PRO 196 CO 0.12 0.11 -0.73 0.52 -0.23 0.00 0.00 178.00 177.78 1vpx h MET 197 N 0.00 0.09 -0.19 0.86 2.86 -1.99 -1.95 114.93 114.62 1vpx h MET 197 Ca -0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1vpx h MET 197 Cb 0.22 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1vpx h MET 197 CO 0.01 0.78 0.12 1.15 1.06 0.00 0.00 176.91 180.04 1vpx h THR 198 N 0.06 1.06 -0.73 2.22 2.02 -1.86 -0.79 112.91 114.89 1vpx h THR 198 Ca -0.02 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1vpx h THR 198 Cb 1.30 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 1vpx h THR 198 CO 0.10 0.05 0.21 0.44 0.37 0.00 0.00 175.52 176.70 1vpx h ASP 199 N 0.24 1.07 -0.53 4.18 3.32 -1.32 -0.57 116.42 122.81 1vpx h ASP 199 Ca 0.07 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 1vpx h ASP 199 Cb -0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 1vpx h ASP 199 CO -0.01 1.00 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.35 1vpx h LEU 200 N 1.09 1.00 -1.05 1.55 3.38 -1.34 -1.69 115.31 118.24 1vpx h LEU 200 Ca 0.23 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1vpx h LEU 200 Cb 0.32 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1vpx h LEU 200 CO -0.01 1.11 0.55 1.23 0.09 0.00 0.00 178.44 181.41 1vpx h GLY 201 N 0.87 1.28 0.95 0.83 0.00 -0.70 -0.60 103.07 105.70 1vpx h GLY 201 Ca 0.14 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 1vpx h GLY 201 CO 0.04 0.51 0.01 -2.22 0.00 0.00 0.00 176.54 174.88 1vpx h ILE 202 N 1.22 1.26 -0.71 2.60 2.04 -0.94 0.41 117.51 123.39 1vpx h ILE 202 Ca 0.32 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.21 1vpx h ILE 202 Cb -0.07 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1vpx h ILE 202 CO -0.06 0.34 0.45 -0.33 0.00 0.00 0.00 178.15 178.55 1vpx h GLU 203 N 0.54 0.88 -0.32 2.37 5.08 -1.07 -2.54 114.58 119.53 1vpx h GLU 203 Ca 0.12 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 1vpx h GLU 203 Cb 0.46 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1vpx h GLU 203 CO 0.02 0.58 -0.38 -0.09 -1.00 0.00 0.00 179.01 178.15 1vpx h ARG 204 N 0.91 0.82 -0.28 2.33 9.65 -0.96 -0.89 114.38 125.96 1vpx h ARG 204 Ca 0.27 -0.45 -0.04 0.00 -1.10 0.00 0.00 59.98 58.66 1vpx h ARG 204 Cb -0.04 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 1vpx h ARG 204 CO -0.08 1.09 0.00 0.74 2.80 0.00 0.00 179.97 184.52 1vpx h PHE 205 N 0.59 0.42 0.07 2.20 0.04 -0.79 -1.91 116.94 117.56 1vpx h PHE 205 Ca 0.04 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1vpx h PHE 205 Cb 0.97 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.99 1vpx h PHE 205 CO 0.07 0.43 -0.03 0.52 -0.60 0.00 0.00 178.31 178.70 1vpx h MET 206 N 0.40 -0.09 -0.63 1.51 2.86 -1.33 -0.82 114.93 116.84 1vpx h MET 206 Ca 0.09 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.87 1vpx h MET 206 Cb 0.27 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 31.84 1vpx h MET 206 CO 0.01 0.46 -0.02 0.93 1.06 0.00 0.00 176.91 179.34 1vpx h GLU 207 N -0.73 0.09 0.41 1.72 5.08 -1.09 0.13 114.58 120.19 1vpx h GLU 207 Ca -0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1vpx h GLU 207 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1vpx h GLU 207 CO 0.02 0.06 -0.20 -0.44 -1.00 0.00 0.00 179.01 177.45 1vpx h ASP 208 N 0.10 -0.46 -0.65 1.42 3.32 -1.38 -2.16 116.42 116.60 1vpx h ASP 208 Ca 0.33 -0.12 0.14 0.00 0.02 0.00 0.00 57.03 57.40 1vpx h ASP 208 Cb 0.53 0.12 -0.11 0.00 0.22 0.00 0.00 39.33 40.09 1vpx h ASP 208 CO -0.56 -0.09 -0.01 -0.25 -1.72 0.00 0.00 179.24 176.62 1vpx h TRP 209 N -0.91 -0.07 0.00 4.55 2.91 -1.01 0.20 115.95 121.63 1vpx h TRP 209 Ca -0.06 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1vpx h TRP 209 Cb 0.56 0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 29.34 1vpx h TRP 209 CO 0.02 -0.19 -0.03 -0.22 -1.03 0.00 0.00 178.44 176.99 1vpx h LYS 210 N 0.11 0.00 0.00 2.65 3.11 -0.92 0.64 116.57 122.15 1vpx h LYS 210 Ca 0.34 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.99 1vpx h LYS 210 Cb 0.56 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.76 1vpx h LYS 210 CO -0.57 0.03 -1.52 1.63 -2.81 0.00 0.00 179.45 176.21 1vpx n LYS 211 N -3.31 0.63 -0.09 1.90 5.02 -0.11 -1.62 118.16 120.59 1vpx n LYS 211 Ca -0.02 0.23 -0.12 0.00 -2.02 0.00 0.00 58.31 56.37 1vpx n LYS 211 Cb 0.16 -1.79 -0.05 0.00 -0.02 0.00 0.00 35.03 33.33 1vpx n LYS 211 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1vpx h TYR 212 N 0.00 0.65 -0.39 2.13 3.20 0.99 -2.71 116.97 120.84 1vpx h TYR 212 Ca -0.20 -0.17 -0.06 0.00 3.14 0.00 0.00 58.73 61.44 1vpx h TYR 212 Cb 1.69 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.80 1vpx h TYR 212 CO 0.00 0.83 0.02 -0.07 -1.64 0.00 0.00 178.16 177.31 1vpx h LEU 213 N 0.27 0.65 -2.21 2.82 3.38 0.10 -2.53 115.31 117.79 1vpx h LEU 213 Ca 0.05 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1vpx h LEU 213 Cb 0.68 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1vpx h LEU 213 CO 0.04 0.78 0.27 -0.33 0.09 0.00 0.00 178.44 179.29 1vpx h GLU 214 N 0.50 0.00 -5.78 1.13 5.08 -1.32 -3.37 114.58 110.82 1vpx h GLU 214 Ca 0.11 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.88 1vpx h GLU 214 Cb 0.43 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.60 1vpx h GLU 214 CO 0.02 0.00 0.30 1.21 -1.00 0.00 0.00 179.01 179.54 1vpx s ASN 215 N -4.84 6.81 0.00 1.42 2.47 -0.96 -5.06 114.94 114.79 1vpx s ASN 215 Ca -0.04 0.99 0.00 0.00 0.42 0.00 0.00 52.86 54.23 1vpx s ASN 215 Cb 0.11 -2.41 0.00 0.00 -1.45 0.00 0.00 41.25 37.51 1vpx s ASN 215 CO 0.37 -0.38 0.00 0.00 -3.72 0.00 0.00 177.10 173.36