#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vpx s MET 1 N 0.00 4.14 0.11 -0.41 1.75 -1.26 -4.95 119.30 118.68 1vpx s MET 1 Ca 0.00 2.56 -0.08 0.00 -1.25 0.00 0.00 55.69 56.91 1vpx s MET 1 Cb 0.00 -3.09 -0.06 0.00 2.84 0.00 0.00 34.83 34.52 1vpx s MET 1 CO 0.00 -0.72 0.40 0.15 -0.65 0.00 0.00 175.02 174.20 1vpx s LYS 2 N 1.17 3.72 -0.18 4.11 -0.14 -0.66 -5.02 119.74 122.74 1vpx s LYS 2 Ca 0.74 0.11 -0.00 0.00 -1.36 0.00 0.00 55.97 55.45 1vpx s LYS 2 Cb -0.48 -2.93 0.01 0.00 -1.68 0.00 0.00 37.83 32.75 1vpx s LYS 2 CO 0.32 0.51 -0.16 0.42 -0.76 0.00 0.00 175.35 175.69 1vpx s ILE 3 N -1.50 2.48 0.23 2.17 1.01 -1.26 -1.43 121.20 122.90 1vpx s ILE 3 Ca 0.36 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 60.26 1vpx s ILE 3 Cb -0.13 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1vpx s ILE 3 CO 0.20 0.51 0.29 -0.36 0.00 0.00 0.00 174.94 175.58 1vpx s PHE 4 N 1.18 3.33 -0.18 3.97 0.08 -0.40 -0.44 117.98 125.51 1vpx s PHE 4 Ca 0.02 -0.03 -0.08 0.00 0.12 0.00 0.00 56.93 56.95 1vpx s PHE 4 Cb -0.14 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 1vpx s PHE 4 CO -0.07 0.48 0.07 -0.51 -0.10 0.00 0.00 175.22 175.09 1vpx s LEU 5 N -3.82 3.89 -1.01 -0.37 1.43 -0.83 -1.74 118.68 116.23 1vpx s LEU 5 Ca 0.34 0.11 -0.23 0.00 -1.03 0.00 0.00 54.13 53.32 1vpx s LEU 5 Cb -0.09 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 44.20 1vpx s LEU 5 CO 0.27 0.18 1.43 -1.81 0.23 0.00 0.00 176.35 176.66 1vpx s ASP 6 N 0.34 6.50 0.04 2.29 1.11 -0.20 -0.94 116.67 125.81 1vpx s ASP 6 Ca 0.04 -1.48 -0.27 0.00 0.18 0.00 0.00 52.55 51.02 1vpx s ASP 6 Cb -0.12 -2.56 0.09 0.00 1.07 0.00 0.00 42.92 41.40 1vpx s ASP 6 CO -0.00 -1.49 0.85 0.28 1.18 0.00 0.00 175.17 175.99 1vpx s THR 7 N 4.86 0.00 0.00 -1.27 -1.32 -1.03 -4.47 115.64 112.41 1vpx s THR 7 Ca 0.45 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 1vpx s THR 7 Cb -0.00 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1vpx s THR 7 CO -0.10 0.00 0.76 0.00 -2.21 0.00 0.00 174.62 173.08 1vpx n ALA 8 N -0.29 1.93 -2.66 11.08 0.00 -1.26 -4.51 120.51 124.80 1vpx n ALA 8 Ca -0.10 -0.76 -0.42 0.00 0.00 0.00 0.00 53.44 52.16 1vpx n ALA 8 Cb 0.62 0.00 -0.04 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 -0.58 6.96 0.25 0.00 3.84 -1.26 -4.87 114.94 119.28 1vpx s ASN 9 Ca 0.00 1.19 0.11 0.00 0.21 0.00 0.00 52.86 54.37 1vpx s ASN 9 Cb 0.00 -2.47 0.24 0.00 -0.55 0.00 0.00 41.25 38.47 1vpx s ASN 9 CO 0.00 -0.51 1.54 -0.07 -2.79 0.00 0.00 177.10 175.27 1vpx h LEU 10 N 8.88 0.00 -0.23 3.21 3.38 -1.99 -2.43 115.31 126.13 1vpx h LEU 10 Ca -0.25 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1vpx h LEU 10 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1vpx h LEU 10 CO 0.88 0.67 -0.15 -0.33 0.09 0.00 0.00 178.44 179.60 1vpx h GLU 11 N 0.00 0.51 -0.28 1.13 5.08 -1.99 0.46 114.58 119.49 1vpx h GLU 11 Ca -0.01 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1vpx h GLU 11 Cb 1.25 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1vpx h GLU 11 CO 0.09 0.80 -0.11 1.05 -1.00 0.00 0.00 179.01 179.84 1vpx h GLU 12 N 0.22 0.47 -0.45 2.33 4.11 -1.97 -0.62 114.58 118.66 1vpx h GLU 12 Ca 0.05 -0.13 -0.10 0.00 0.07 0.00 0.00 59.36 59.24 1vpx h GLU 12 Cb 0.67 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1vpx h GLU 12 CO 0.04 0.59 -0.12 0.82 0.07 0.00 0.00 179.01 180.41 1vpx h ILE 13 N 0.44 1.27 -0.47 -1.06 2.04 -1.33 -1.21 117.51 117.19 1vpx h ILE 13 Ca 0.08 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 1vpx h ILE 13 Cb 0.46 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1vpx h ILE 13 CO 0.03 0.43 0.26 0.50 0.00 0.00 0.00 178.15 179.36 1vpx h LYS 14 N 0.72 0.65 -0.44 2.37 3.64 -0.51 -0.63 116.57 122.37 1vpx h LYS 14 Ca 0.11 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1vpx h LYS 14 Cb 0.67 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1vpx h LYS 14 CO 0.05 0.51 0.15 0.87 -2.27 0.00 0.00 179.45 178.76 1vpx h LYS 15 N 0.62 0.30 -0.68 1.90 1.57 -1.03 0.24 116.57 119.48 1vpx h LYS 15 Ca 0.16 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.01 1vpx h LYS 15 Cb 0.05 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.23 1vpx h LYS 15 CO -0.03 0.20 0.35 0.78 -0.57 0.00 0.00 179.45 180.18 1vpx h GLY 16 N 0.31 1.01 1.62 3.86 0.00 -0.65 -0.78 103.07 108.45 1vpx h GLY 16 Ca 0.21 -0.22 -0.24 0.00 0.00 0.00 0.00 47.33 47.08 1vpx h GLY 16 CO -0.22 0.08 -1.03 -0.39 0.00 0.00 0.00 176.54 174.98 1vpx h VAL 17 N 0.60 1.45 -0.76 4.60 -1.51 -0.61 -2.51 116.25 117.52 1vpx h VAL 17 Ca 0.33 -2.69 0.14 0.00 -1.23 0.00 0.00 66.70 63.25 1vpx h VAL 17 Cb 0.31 2.61 -0.09 0.00 -2.13 0.00 0.00 31.29 31.98 1vpx h VAL 17 CO -0.24 0.79 0.31 -0.33 -1.23 0.00 0.00 177.57 176.86 1vpx h GLU 18 N 0.15 0.44 0.00 5.19 5.08 -0.16 -1.07 114.58 124.21 1vpx h GLU 18 Ca -0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1vpx h GLU 18 Cb 1.69 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1vpx h GLU 18 CO 0.17 0.29 0.00 -1.49 -1.00 0.00 0.00 179.01 176.98 1vpx h TRP 19 N 0.45 0.00 -1.12 4.33 6.55 -1.08 -3.47 115.95 121.61 1vpx h TRP 19 Ca 0.41 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 60.10 1vpx h TRP 19 Cb 0.62 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.92 1vpx h TRP 19 CO -0.16 0.00 -0.20 0.41 -1.05 0.00 0.00 178.44 177.43 1vpx n GLY 20 N 0.62 0.05 0.00 1.49 0.00 -0.41 -4.92 105.19 102.03 1vpx n GLY 20 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1vpx n GLY 20 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vpx n ILE 21 N -3.99 0.00 -3.65 -0.61 -5.35 -0.98 -5.00 119.36 99.78 1vpx n ILE 21 Ca -0.09 -0.34 -0.37 0.00 -0.27 0.00 0.00 62.75 61.68 1vpx n ILE 21 Cb 0.57 0.85 -0.10 0.00 -1.74 0.00 0.00 39.64 39.22 1vpx n ILE 21 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1vpx s VAL 22 N -1.18 5.22 -0.41 7.28 1.01 -1.07 -4.24 120.40 127.02 1vpx s VAL 22 Ca 0.00 0.14 0.20 0.00 0.00 0.00 0.00 61.98 62.32 1vpx s VAL 22 Cb 0.00 -3.46 -0.28 0.00 0.00 0.00 0.00 36.38 32.64 1vpx s VAL 22 CO 0.00 0.30 0.62 0.47 0.00 0.00 0.00 175.10 176.49 1vpx n ASP 23 N 4.68 0.54 -1.69 3.32 8.00 0.41 -4.65 116.55 127.17 1vpx n ASP 23 Ca -0.15 -0.40 -0.00 0.00 0.71 0.00 0.00 54.79 54.95 1vpx n ASP 23 Cb 0.52 1.56 0.00 0.00 -0.02 0.00 0.00 41.12 43.18 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 1.39 0.89 2.90 0.44 0.00 -1.24 -3.85 105.19 105.72 1vpx n GLY 24 Ca -0.01 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.31 -0.01 -0.09 1.61 1.01 -0.06 -1.97 120.40 118.58 1vpx s VAL 25 Ca 0.07 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1vpx s VAL 25 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 1vpx s VAL 25 CO 0.01 0.01 -0.10 0.42 0.00 0.00 0.00 175.10 175.43 1vpx s THR 26 N 0.16 3.35 0.26 3.92 -4.23 -0.12 -0.90 115.64 118.07 1vpx s THR 26 Ca -0.01 -0.59 0.06 0.00 -1.18 0.00 0.00 61.69 59.97 1vpx s THR 26 Cb -0.02 -2.38 -0.05 0.00 1.34 0.00 0.00 72.50 71.39 1vpx s THR 26 CO -0.00 0.56 -0.06 -0.89 -0.54 0.00 0.00 174.62 173.68 1vpx s THR 27 N -0.29 1.55 0.05 3.99 2.01 -0.74 -2.47 115.64 119.75 1vpx s THR 27 Ca 0.03 -2.12 -0.17 0.00 0.31 0.00 0.00 61.69 59.74 1vpx s THR 27 Cb -0.13 -2.35 0.03 0.00 0.01 0.00 0.00 72.50 70.06 1vpx s THR 27 CO 0.03 -0.36 0.39 0.54 -0.69 0.00 0.00 174.62 174.53 1vpx s ASN 28 N -3.39 -0.25 0.33 3.53 2.20 -1.26 -4.57 114.94 111.52 1vpx s ASN 28 Ca 0.28 -0.07 0.25 0.00 -0.94 0.00 0.00 52.86 52.39 1vpx s ASN 28 Cb 0.03 0.42 1.13 0.00 -2.00 0.00 0.00 41.25 40.83 1vpx s ASN 28 CO 0.10 -0.67 1.76 1.55 -2.94 0.00 0.00 177.10 176.90 1vpx h PRO 29 N 2.98 0.00 0.49 3.55 0.13 -1.98 -2.08 132.00 135.09 1vpx h PRO 29 Ca -0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1vpx h PRO 29 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1vpx h PRO 29 CO 0.44 0.00 -0.24 1.15 -0.23 0.00 0.00 178.00 179.13 1vpx h THR 30 N 0.00 0.46 -0.15 1.56 2.02 -1.97 0.28 112.91 115.10 1vpx h THR 30 Ca 0.00 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.90 1vpx h THR 30 Cb 0.29 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1vpx h THR 30 CO 0.00 0.05 -0.04 0.17 0.37 0.00 0.00 175.52 176.07 1vpx h LEU 31 N -0.86 -0.13 -1.10 2.58 -0.00 -1.85 0.19 115.31 114.13 1vpx h LEU 31 Ca -0.07 0.04 0.10 0.00 -0.00 0.00 0.00 57.88 57.96 1vpx h LEU 31 Cb 0.59 0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 41.26 1vpx h LEU 31 CO 0.11 -0.05 0.61 0.40 -0.00 0.00 0.00 178.44 179.51 1vpx h ILE 32 N 0.00 0.97 0.00 0.15 1.08 -1.37 -1.75 117.51 116.60 1vpx h ILE 32 Ca 0.07 -0.33 -0.17 0.00 -0.39 0.00 0.00 64.86 64.04 1vpx h ILE 32 Cb 0.11 -0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 33.74 1vpx h ILE 32 CO -0.15 0.18 -1.05 0.28 -0.69 0.00 0.00 178.15 176.72 1vpx h SER 33 N 0.97 0.00 0.41 1.72 0.02 -0.84 -2.77 113.55 113.06 1vpx h SER 33 Ca 0.45 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.37 1vpx h SER 33 Cb 0.41 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1vpx h SER 33 CO -0.21 0.67 -0.14 0.50 -1.14 0.00 0.00 176.83 176.51 1vpx h LYS 34 N 0.00 0.00 0.00 3.45 3.64 0.21 -3.07 116.57 120.80 1vpx h LYS 34 Ca -0.09 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1vpx h LYS 34 Cb 1.59 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.41 1vpx h LYS 34 CO 0.07 0.14 -0.09 0.93 -2.27 0.00 0.00 179.45 178.23 1vpx h GLU 35 N 0.00 0.00 0.00 1.90 4.39 -1.41 -3.49 114.58 115.96 1vpx h GLU 35 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1vpx h GLU 35 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1vpx h GLU 35 CO 0.02 0.75 0.00 0.41 -1.16 0.00 0.00 179.01 179.02 1vpx n GLY 36 N 1.64 0.62 3.43 -3.84 0.00 -1.16 -5.14 105.19 100.74 1vpx n GLY 36 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 1vpx n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vpx s ALA 37 N -0.53 0.98 -0.01 4.61 0.00 -1.05 -5.06 121.76 120.70 1vpx s ALA 37 Ca 0.00 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 50.35 1vpx s ALA 37 Cb 0.00 1.24 -0.04 0.00 0.00 0.00 0.00 23.12 24.32 1vpx s ALA 37 CO 0.00 -0.75 0.01 -2.00 0.00 0.00 0.00 175.76 173.01 1vpx s GLU 38 N -3.29 2.82 0.00 0.00 2.12 -1.26 -4.10 118.70 114.99 1vpx s GLU 38 Ca 0.33 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 55.07 1vpx s GLU 38 Cb 0.01 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.71 1vpx s GLU 38 CO 0.21 0.63 0.15 0.34 -0.54 0.00 0.00 175.26 176.05 1vpx n PHE 39 N 1.44 0.00 -0.10 5.30 -0.00 -1.26 -2.30 117.46 120.55 1vpx n PHE 39 Ca -0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.21 1vpx n PHE 39 Cb 0.53 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.48 39.93 1vpx n PHE 39 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 1vpx h LYS 40 N 0.00 0.45 0.30 -4.13 1.57 -2.00 -2.50 116.57 110.27 1vpx h LYS 40 Ca 0.00 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1vpx h LYS 40 Cb 0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1vpx h LYS 40 CO 0.00 0.45 -0.28 0.37 -0.57 0.00 0.00 179.45 179.42 1vpx h GLN 41 N 0.35 -0.58 -0.00 3.15 5.75 -1.90 -1.96 115.11 119.92 1vpx h GLN 41 Ca 0.10 0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.58 1vpx h GLN 41 Cb 0.16 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 1vpx h GLN 41 CO -0.01 -0.39 -0.32 -0.09 -2.65 0.00 0.00 178.83 175.38 1vpx h ARG 42 N -0.60 0.00 -0.50 1.69 9.65 -1.45 0.39 114.38 123.55 1vpx h ARG 42 Ca -0.01 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1vpx h ARG 42 Cb 0.55 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.10 1vpx h ARG 42 CO -0.05 0.32 0.32 0.28 2.80 0.00 0.00 179.97 183.64 1vpx h VAL 43 N 0.00 1.14 -0.25 0.20 2.07 -1.13 0.12 116.25 118.40 1vpx h VAL 43 Ca -0.00 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1vpx h VAL 43 Cb 0.56 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1vpx h VAL 43 CO 0.04 0.14 0.15 0.50 0.02 0.00 0.00 177.57 178.42 1vpx h LYS 44 N 0.68 0.34 -0.91 1.57 3.11 -0.37 -0.92 116.57 120.06 1vpx h LYS 44 Ca 0.18 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.98 1vpx h LYS 44 Cb -0.05 -0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.07 1vpx h LYS 44 CO -0.04 0.27 0.51 0.93 -2.81 0.00 0.00 179.45 178.32 1vpx h GLU 45 N 0.31 1.26 -0.23 1.90 5.08 -0.68 -1.49 114.58 120.73 1vpx h GLU 45 Ca 0.09 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1vpx h GLU 45 Cb 0.02 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1vpx h GLU 45 CO -0.02 0.91 0.07 0.82 -1.00 0.00 0.00 179.01 179.79 1vpx h ILE 46 N 1.27 1.20 -0.36 3.13 2.04 -0.63 -2.30 117.51 121.86 1vpx h ILE 46 Ca 0.32 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.60 1vpx h ILE 46 Cb 0.00 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1vpx h ILE 46 CO -0.05 0.21 0.04 0.00 0.00 0.00 0.00 178.15 178.34 1vpx h ASP 48 N 0.16 0.50 0.00 0.00 5.19 -1.20 0.93 116.42 121.99 1vpx h ASP 48 Ca 0.17 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 1vpx h ASP 48 Cb 0.22 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.62 1vpx h ASP 48 CO -0.25 0.33 -0.10 0.25 -3.12 0.00 0.00 179.24 176.34 1vpx h LEU 49 N 0.57 0.00 0.00 1.55 5.85 -0.59 -3.38 115.31 119.31 1vpx h LEU 49 Ca 0.25 -0.76 -0.16 0.00 0.84 0.00 0.00 57.88 58.05 1vpx h LEU 49 Cb 0.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1vpx h LEU 49 CO -0.07 0.94 -0.89 1.62 -0.34 0.00 0.00 178.44 179.70 1vpx h VAL 50 N -1.00 1.03 -6.62 1.05 3.04 -0.92 -3.48 116.25 109.34 1vpx h VAL 50 Ca -0.03 -2.54 -0.52 0.00 -1.01 0.00 0.00 66.70 62.60 1vpx h VAL 50 Cb 0.83 2.47 -0.05 0.00 -2.01 0.00 0.00 31.29 32.52 1vpx h VAL 50 CO -0.02 0.58 -0.93 0.29 -1.01 0.00 0.00 177.57 176.49 1vpx n LYS 51 N -3.18 -2.06 -3.82 4.17 5.02 0.32 -4.83 118.16 113.77 1vpx n LYS 51 Ca -0.02 0.31 -0.05 0.00 -2.02 0.00 0.00 58.31 56.53 1vpx n LYS 51 Cb 0.83 -4.01 0.00 0.00 -0.02 0.00 0.00 35.03 31.84 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 -4.10 0.04 -0.09 0.72 0.00 -1.26 -5.01 107.32 97.62 1vpx s GLY 52 Ca 0.15 -0.30 -0.38 0.00 0.00 0.00 0.00 44.72 44.19 1vpx s GLY 52 CO 0.92 0.59 1.59 -1.55 0.00 0.00 0.00 173.10 174.65 1vpx n PRO 53 N -0.55 1.34 -3.97 2.90 -0.04 -1.25 -4.73 135.00 128.69 1vpx n PRO 53 Ca -0.05 0.49 -0.31 0.00 -0.04 0.00 0.00 63.50 63.58 1vpx n PRO 53 Cb 0.60 -2.18 -0.15 0.00 -0.04 0.00 0.00 33.50 31.73 1vpx n PRO 53 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1vpx s VAL 54 N 2.23 1.88 0.02 0.52 1.01 -0.66 -0.88 120.40 124.51 1vpx s VAL 54 Ca 0.91 -1.78 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 1vpx s VAL 54 Cb -0.96 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1vpx s VAL 54 CO 0.55 -0.36 0.90 -0.94 0.00 0.00 0.00 175.10 175.25 1vpx s SER 55 N 1.16 7.31 -0.01 3.32 1.04 -0.08 -1.37 113.70 125.07 1vpx s SER 55 Ca 0.02 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.03 1vpx s SER 55 Cb -0.19 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.41 1vpx s SER 55 CO -0.09 -0.16 -0.01 0.00 0.98 0.00 0.00 173.24 173.96 1vpx s ALA 56 N 0.65 0.15 0.26 5.32 0.00 0.15 -1.79 121.76 126.51 1vpx s ALA 56 Ca 0.47 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 52.32 1vpx s ALA 56 Cb -0.21 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.73 1vpx s ALA 56 CO 0.26 -0.00 0.64 -1.83 0.00 0.00 0.00 175.76 174.83 1vpx s GLU 57 N 0.28 3.92 0.41 0.00 -1.05 -1.26 -0.89 118.70 120.11 1vpx s GLU 57 Ca -0.02 0.49 -0.02 0.00 -0.15 0.00 0.00 54.97 55.26 1vpx s GLU 57 Cb -0.04 -2.58 -0.03 0.00 -0.44 0.00 0.00 34.13 31.03 1vpx s GLU 57 CO -0.01 0.26 0.66 0.14 0.95 0.00 0.00 175.26 177.26 1vpx s VAL 58 N -1.85 4.97 -0.09 1.83 -7.23 -1.24 -4.91 120.40 111.87 1vpx s VAL 58 Ca 0.49 -0.17 -0.23 0.00 -1.81 0.00 0.00 61.98 60.26 1vpx s VAL 58 Cb -0.11 -3.85 -0.29 0.00 0.56 0.00 0.00 36.38 32.69 1vpx s VAL 58 CO 0.19 -0.68 0.80 -0.37 -0.31 0.00 0.00 175.10 174.73 1vpx h VAL 59 N 0.50 1.53 -4.20 1.32 -1.51 -1.95 -3.48 116.25 108.45 1vpx h VAL 59 Ca -0.48 -2.46 -0.49 0.00 -1.23 0.00 0.00 66.70 62.04 1vpx h VAL 59 Cb 1.21 3.18 0.07 0.00 -2.13 0.00 0.00 31.29 33.62 1vpx h VAL 59 CO 0.61 0.67 0.38 -0.55 -1.23 0.00 0.00 177.57 177.45 1vpx s SER 60 N -6.75 5.74 -0.00 4.19 0.15 -1.26 -4.98 113.70 110.78 1vpx s SER 60 Ca -0.16 1.81 0.04 0.00 0.70 0.00 0.00 55.95 58.33 1vpx s SER 60 Cb 0.00 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1vpx s SER 60 CO 0.77 -1.20 0.14 0.18 1.20 0.00 0.00 173.24 174.34 1vpx n LEU 61 N -2.10 0.15 -4.83 3.45 4.77 -1.26 -4.53 117.00 112.65 1vpx n LEU 61 Ca 0.09 -0.45 -0.33 0.00 -0.03 0.00 0.00 56.01 55.29 1vpx n LEU 61 Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1vpx n LEU 61 CO 0.48 0.04 0.54 1.51 -1.33 0.00 0.00 177.39 178.62 1vpx s ASP 62 N -1.45 6.89 0.17 -1.43 -4.77 -1.26 -4.75 116.67 110.06 1vpx s ASP 62 Ca 0.01 1.51 -0.17 0.00 -3.30 0.00 0.00 52.55 50.60 1vpx s ASP 62 Cb 0.03 -2.46 0.10 0.00 -1.09 0.00 0.00 42.92 39.49 1vpx s ASP 62 CO 0.15 -0.26 1.67 0.22 0.70 0.00 0.00 175.17 177.65 1vpx h TYR 63 N 2.19 -0.19 -0.13 2.11 3.20 -1.95 -0.00 116.97 122.20 1vpx h TYR 63 Ca -0.48 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.42 1vpx h TYR 63 Cb 1.18 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 1vpx h TYR 63 CO 0.62 -0.16 0.07 0.93 -1.64 0.00 0.00 178.16 177.98 1vpx h GLU 64 N 0.01 0.18 -0.68 1.82 3.07 -1.94 -1.69 114.58 115.34 1vpx h GLU 64 Ca 0.19 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 1vpx h GLU 64 Cb 0.30 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 1vpx h GLU 64 CO -0.41 0.19 0.29 0.78 -1.40 0.00 0.00 179.01 178.46 1vpx h GLY 65 N 0.12 1.09 0.86 -3.84 0.00 -1.91 -1.10 103.07 98.28 1vpx h GLY 65 Ca 0.05 -0.58 0.02 0.00 0.00 0.00 0.00 47.33 46.82 1vpx h GLY 65 CO -0.01 0.54 0.20 -0.33 0.00 0.00 0.00 176.54 176.95 1vpx h MET 66 N 0.97 0.40 -0.01 4.80 2.86 -0.81 -0.99 114.93 122.15 1vpx h MET 66 Ca 0.23 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1vpx h MET 66 Cb 0.18 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1vpx h MET 66 CO -0.02 0.27 0.00 0.28 1.06 0.00 0.00 176.91 178.50 1vpx h VAL 67 N 0.41 1.15 -0.34 -2.22 2.07 -1.20 -0.04 116.25 116.08 1vpx h VAL 67 Ca 0.15 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.29 1vpx h VAL 67 Cb 0.04 1.44 -0.08 0.00 -1.52 0.00 0.00 31.29 31.17 1vpx h VAL 67 CO -0.09 0.12 -0.20 -0.09 0.02 0.00 0.00 177.57 177.32 1vpx h ARG 68 N -0.17 -0.15 -0.27 1.57 2.43 -1.05 -1.64 114.38 115.09 1vpx h ARG 68 Ca 0.00 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 1vpx h ARG 68 Cb 0.19 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1vpx h ARG 68 CO -0.00 -0.10 -0.41 0.93 -1.51 0.00 0.00 179.97 178.88 1vpx h GLU 69 N -0.16 0.66 -0.61 0.20 5.08 -1.11 -2.84 114.58 115.81 1vpx h GLU 69 Ca 0.17 -0.35 0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1vpx h GLU 69 Cb 0.42 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1vpx h GLU 69 CO -0.44 0.95 0.35 0.00 -1.00 0.00 0.00 179.01 178.87 1vpx h ALA 70 N 1.00 0.80 -0.88 3.43 0.00 -0.63 0.32 119.26 123.31 1vpx h ALA 70 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1vpx h ALA 70 Cb 0.94 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1vpx h ALA 70 CO 0.09 0.05 0.50 0.00 0.00 0.00 0.00 179.25 179.88 1vpx h ARG 71 N 0.67 1.20 -0.00 0.00 3.08 -1.18 0.15 114.38 118.30 1vpx h ARG 71 Ca 0.26 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1vpx h ARG 71 Cb 0.11 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1vpx h ARG 71 CO -0.14 0.86 0.00 1.49 -1.07 0.00 0.00 179.97 181.11 1vpx h GLU 72 N 1.22 0.00 -0.75 0.04 4.81 -1.15 -2.83 114.58 115.93 1vpx h GLU 72 Ca 0.31 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1vpx h GLU 72 Cb -0.01 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1vpx h GLU 72 CO -0.05 0.27 0.31 -0.07 -0.73 0.00 0.00 179.01 178.74 1vpx h LEU 73 N -0.27 1.01 -1.71 1.64 3.38 -0.75 -2.67 115.31 115.95 1vpx h LEU 73 Ca 0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1vpx h LEU 73 Cb 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1vpx h LEU 73 CO 0.00 0.89 -0.09 0.00 0.09 0.00 0.00 178.44 179.33 1vpx h ALA 74 N 1.26 1.76 0.00 1.53 0.00 -0.89 -1.84 119.26 121.08 1vpx h ALA 74 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1vpx h ALA 74 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1vpx h ALA 74 CO -0.02 0.18 0.00 1.04 0.00 0.00 0.00 179.25 180.45 1vpx n GLN 75 N -4.39 0.15 -0.14 0.00 6.02 -1.01 -3.09 117.38 114.92 1vpx n GLN 75 Ca -0.02 0.45 -0.11 0.00 -0.01 0.00 0.00 57.00 57.31 1vpx n GLN 75 Cb 0.19 -1.82 -0.01 0.00 1.02 0.00 0.00 30.24 29.62 1vpx n GLN 75 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1vpx h ILE 76 N 0.00 1.27 -1.75 5.09 2.04 -1.44 -3.47 117.51 119.26 1vpx h ILE 76 Ca 0.00 -1.11 0.04 0.00 1.00 0.00 0.00 64.86 64.79 1vpx h ILE 76 Cb 0.26 1.17 -0.21 0.00 -0.74 0.00 0.00 36.82 37.29 1vpx h ILE 76 CO 0.00 0.37 0.43 -0.94 0.00 0.00 0.00 178.15 178.02 1vpx s SER 77 N -6.31 -0.46 0.64 1.72 1.04 -1.18 -4.96 113.70 104.19 1vpx s SER 77 Ca -0.13 0.47 0.42 0.00 0.48 0.00 0.00 55.95 57.20 1vpx s SER 77 Cb 0.10 0.38 2.17 0.00 0.10 0.00 0.00 66.02 68.77 1vpx s SER 77 CO 0.81 -0.44 2.28 -0.33 0.98 0.00 0.00 173.24 176.53 1vpx h GLU 78 N 2.66 0.00 0.00 4.02 3.07 -1.91 -2.51 114.58 119.91 1vpx h GLU 78 Ca -0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 1vpx h GLU 78 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1vpx h GLU 78 CO 0.34 0.00 -0.12 1.88 -1.40 0.00 0.00 179.01 179.71 1vpx h TYR 79 N 0.00 0.00 -3.26 4.33 0.05 -1.92 -3.46 116.97 112.71 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 0.13 0.00 0.06 0.00 1.01 0.00 0.00 36.73 37.92 1vpx h TYR 79 CO 0.00 0.00 0.79 0.08 -1.05 0.00 0.00 178.16 177.98 1vpx s VAL 80 N -3.20 2.61 -0.06 -2.88 1.01 -0.95 -1.65 120.40 115.28 1vpx s VAL 80 Ca 0.07 0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.60 1vpx s VAL 80 Cb 0.07 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1vpx s VAL 80 CO 0.67 0.07 -0.23 -0.69 0.00 0.00 0.00 175.10 174.93 1vpx s VAL 81 N 0.24 1.87 -0.24 2.92 1.01 -0.47 -4.64 120.40 121.08 1vpx s VAL 81 Ca 0.62 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 1vpx s VAL 81 Cb -0.43 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1vpx s VAL 81 CO 0.41 0.52 0.50 -0.63 0.00 0.00 0.00 175.10 175.91 1vpx s ILE 82 N 0.00 5.09 -0.05 2.22 -1.09 -0.20 -0.67 121.20 126.50 1vpx s ILE 82 Ca -0.07 0.88 -0.30 0.00 -2.23 0.00 0.00 60.65 58.93 1vpx s ILE 82 Cb -0.14 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 1vpx s ILE 82 CO 0.04 0.12 1.12 -0.54 -1.23 0.00 0.00 174.94 174.45 1vpx s LYS 83 N 2.10 4.41 -0.10 2.79 1.02 -0.07 -0.65 119.74 129.25 1vpx s LYS 83 Ca 0.21 1.58 0.02 0.00 0.02 0.00 0.00 55.97 57.81 1vpx s LYS 83 Cb -0.16 -3.51 0.01 0.00 -0.52 0.00 0.00 37.83 33.65 1vpx s LYS 83 CO 0.09 -0.33 -0.17 0.42 -0.92 0.00 0.00 175.35 174.44 1vpx s ILE 84 N 1.84 1.57 0.48 2.17 -1.09 -0.31 -3.69 121.20 122.17 1vpx s ILE 84 Ca 0.54 -0.71 -0.22 0.00 -2.23 0.00 0.00 60.65 58.03 1vpx s ILE 84 Cb -0.23 -1.40 -0.07 0.00 -1.58 0.00 0.00 42.46 39.17 1vpx s ILE 84 CO 0.23 0.45 1.16 -2.16 -1.23 0.00 0.00 174.94 173.39 1vpx s PRO 85 N 0.74 3.68 -0.87 2.79 0.04 -1.26 -0.77 135.00 139.35 1vpx s PRO 85 Ca -0.12 1.75 -0.25 0.00 0.04 0.00 0.00 61.00 62.42 1vpx s PRO 85 Cb -0.16 -2.33 -0.00 0.00 0.04 0.00 0.00 34.50 32.04 1vpx s PRO 85 CO 0.02 -0.61 1.70 1.41 0.04 0.00 0.00 177.00 179.56 1vpx s MET 86 N -2.80 2.96 0.17 4.56 1.75 -0.50 -4.39 119.30 121.05 1vpx s MET 86 Ca 0.65 -0.38 -0.03 0.00 -1.25 0.00 0.00 55.69 54.68 1vpx s MET 86 Cb -0.28 -4.92 -0.03 0.00 2.84 0.00 0.00 34.83 32.43 1vpx s MET 86 CO 0.33 -2.76 0.14 0.95 -0.65 0.00 0.00 175.02 173.04 1vpx s THR 87 N 7.80 0.05 0.14 10.11 -4.23 -1.26 -5.00 115.64 123.26 1vpx s THR 87 Ca 0.58 -1.85 -0.19 0.00 -1.18 0.00 0.00 61.69 59.05 1vpx s THR 87 Cb -0.06 -2.21 0.01 0.00 1.34 0.00 0.00 72.50 71.58 1vpx s THR 87 CO 0.02 -0.23 1.70 -0.65 -0.54 0.00 0.00 174.62 174.92 1vpx h PRO 88 N 2.69 0.03 -0.98 3.99 0.11 -1.99 0.63 132.00 136.48 1vpx h PRO 88 Ca -0.34 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.77 1vpx h PRO 88 Cb 1.23 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1vpx h PRO 88 CO 0.54 0.02 0.65 -0.44 -0.21 0.00 0.00 178.00 178.56 1vpx h ASP 89 N 0.04 1.13 -0.84 -2.05 5.19 -1.94 -0.85 116.42 117.10 1vpx h ASP 89 Ca 0.13 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1vpx h ASP 89 Cb 0.19 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.38 1vpx h ASP 89 CO -0.25 0.82 0.50 1.23 -3.12 0.00 0.00 179.24 178.42 1vpx h GLY 90 N 1.33 1.24 1.09 2.75 0.00 -1.61 0.29 103.07 108.17 1vpx h GLY 90 Ca 0.36 -0.52 -0.18 0.00 0.00 0.00 0.00 47.33 46.98 1vpx h GLY 90 CO -0.08 0.51 -0.58 -2.22 0.00 0.00 0.00 176.54 174.17 1vpx h ILE 91 N 1.18 1.29 -0.34 2.60 1.08 -0.43 -1.71 117.51 121.17 1vpx h ILE 91 Ca 0.30 -1.78 0.04 0.00 -0.39 0.00 0.00 64.86 63.03 1vpx h ILE 91 Cb -0.03 1.81 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 1vpx h ILE 91 CO -0.05 0.57 0.11 0.50 -0.69 0.00 0.00 178.15 178.58 1vpx h LYS 92 N 0.52 0.24 -0.92 2.37 3.64 -1.02 -1.82 116.57 119.58 1vpx h LYS 92 Ca -0.01 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1vpx h LYS 92 Cb 1.20 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 1vpx h LYS 92 CO 0.13 0.16 0.59 0.00 -2.27 0.00 0.00 179.45 178.05 1vpx h ALA 93 N 1.23 1.24 -0.62 5.00 0.00 -0.83 -2.33 119.26 122.95 1vpx h ALA 93 Ca 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1vpx h ALA 93 Cb 0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1vpx h ALA 93 CO -0.17 0.41 0.22 0.28 0.00 0.00 0.00 179.25 179.99 1vpx h VAL 94 N 1.11 1.24 -0.38 0.00 2.07 -0.92 0.73 116.25 120.10 1vpx h VAL 94 Ca 0.38 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1vpx h VAL 94 Cb 0.07 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1vpx h VAL 94 CO -0.14 0.30 0.08 0.50 0.02 0.00 0.00 177.57 178.33 1vpx h LYS 95 N 0.87 0.21 0.07 1.57 3.64 -0.93 0.10 116.57 122.10 1vpx h LYS 95 Ca 0.20 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1vpx h LYS 95 Cb 0.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1vpx h LYS 95 CO -0.01 0.14 -0.04 1.15 -2.27 0.00 0.00 179.45 178.42 1vpx h THR 96 N 0.21 1.09 -0.09 1.00 2.02 -1.04 -2.93 112.91 113.17 1vpx h THR 96 Ca 0.18 -0.56 -0.16 0.00 0.77 0.00 0.00 66.41 66.64 1vpx h THR 96 Cb 0.20 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1vpx h THR 96 CO -0.23 0.14 -0.62 -0.07 0.37 0.00 0.00 175.52 175.11 1vpx h LEU 97 N -0.35 0.37 -0.45 2.58 3.38 -0.76 -2.81 115.31 117.27 1vpx h LEU 97 Ca -0.01 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.81 1vpx h LEU 97 Cb 0.30 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1vpx h LEU 97 CO 0.02 0.90 0.11 0.28 0.09 0.00 0.00 178.44 179.84 1vpx h SER 98 N 0.24 0.06 -0.17 -0.43 0.02 -1.02 0.59 113.55 112.84 1vpx h SER 98 Ca -0.01 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1vpx h SER 98 Cb 1.14 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1vpx h SER 98 CO 0.10 0.07 0.13 0.00 -1.14 0.00 0.00 176.83 175.99 1vpx h ALA 99 N 1.33 2.08 -0.29 3.77 0.00 -1.30 -1.46 119.26 123.39 1vpx h ALA 99 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1vpx h ALA 99 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1vpx h ALA 99 CO -0.26 -0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.16 1vpx n GLU 100 N -4.35 2.00 -1.16 0.00 1.02 -0.82 -4.94 120.64 112.39 1vpx n GLU 100 Ca 0.01 -1.52 -0.06 0.00 -0.02 0.00 0.00 57.16 55.58 1vpx n GLU 100 Cb 0.27 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.24 0.80 3.69 0.62 0.00 -0.55 -5.01 105.19 105.99 1vpx n GLY 101 Ca 0.17 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.16 5.23 0.28 -0.61 1.01 0.14 -5.01 121.20 120.08 1vpx s ILE 102 Ca 0.00 0.68 -0.28 0.00 0.00 0.00 0.00 60.65 61.05 1vpx s ILE 102 Cb 0.00 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.67 1vpx s ILE 102 CO 0.00 0.29 0.99 -0.54 0.00 0.00 0.00 174.94 175.68 1vpx s LYS 103 N 1.04 4.67 0.07 2.79 1.02 -1.26 -3.80 119.74 124.27 1vpx s LYS 103 Ca 0.19 1.54 0.05 0.00 0.02 0.00 0.00 55.97 57.76 1vpx s LYS 103 Cb -0.14 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 1vpx s LYS 103 CO 0.07 0.32 -0.14 0.95 -0.92 0.00 0.00 175.35 175.64 1vpx s THR 104 N -1.32 1.10 -0.30 2.17 -4.23 -1.26 -1.03 115.64 110.76 1vpx s THR 104 Ca 0.46 -1.34 -0.01 0.00 -1.18 0.00 0.00 61.69 59.62 1vpx s THR 104 Cb -0.25 -1.10 0.09 0.00 1.34 0.00 0.00 72.50 72.58 1vpx s THR 104 CO 0.32 -0.26 0.08 0.21 -0.54 0.00 0.00 174.62 174.43 1vpx s ASN 105 N -1.81 3.97 -0.15 3.99 2.47 0.17 -0.72 114.94 122.86 1vpx s ASN 105 Ca -0.01 -1.57 -0.29 0.00 0.42 0.00 0.00 52.86 51.40 1vpx s ASN 105 Cb -0.09 -0.89 -0.01 0.00 -1.45 0.00 0.00 41.25 38.81 1vpx s ASN 105 CO 0.02 -0.40 1.10 -0.69 -3.72 0.00 0.00 177.10 173.41 1vpx s VAL 106 N 1.59 4.57 0.47 -5.21 1.01 -0.61 -1.16 120.40 121.06 1vpx s VAL 106 Ca 0.08 1.87 0.04 0.00 0.00 0.00 0.00 61.98 63.98 1vpx s VAL 106 Cb -0.17 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1vpx s VAL 106 CO -0.22 -0.09 0.08 0.28 0.00 0.00 0.00 175.10 175.15 1vpx s THR 107 N 2.72 1.64 -1.30 3.92 -1.32 0.05 -0.28 115.64 121.07 1vpx s THR 107 Ca 0.49 -1.89 -0.04 0.00 -1.21 0.00 0.00 61.69 59.04 1vpx s THR 107 Cb -0.19 -2.53 0.01 0.00 -1.51 0.00 0.00 72.50 68.28 1vpx s THR 107 CO 0.14 0.00 0.98 0.18 -2.21 0.00 0.00 174.62 173.70 1vpx n LEU 108 N -1.23 -3.51 -4.60 9.08 4.77 -1.25 -1.41 117.00 118.84 1vpx n LEU 108 Ca -0.10 -0.66 -0.38 0.00 -0.03 0.00 0.00 56.01 54.84 1vpx n LEU 108 Cb 0.66 -2.94 -0.11 0.00 -2.33 0.00 0.00 43.42 38.71 1vpx n LEU 108 CO 0.43 0.46 -0.17 -0.69 -1.33 0.00 0.00 177.39 176.09 1vpx s VAL 109 N -3.41 5.31 0.00 4.08 1.01 -1.22 -4.53 120.40 121.64 1vpx s VAL 109 Ca 0.22 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1vpx s VAL 109 Cb -0.10 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1vpx s VAL 109 CO 0.76 0.27 0.75 0.49 0.00 0.00 0.00 175.10 177.37 1vpx n PHE 110 N 4.91 0.00 -3.80 5.22 3.72 -1.26 -1.49 117.46 124.76 1vpx n PHE 110 Ca -0.14 -0.27 -0.12 0.00 -0.05 0.00 0.00 57.45 56.87 1vpx n PHE 110 Cb 0.52 -0.03 -0.08 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.54 -0.08 0.49 4.37 1.04 -1.26 -5.03 113.70 112.70 1vpx s SER 111 Ca 0.00 -0.18 0.21 0.00 0.48 0.00 0.00 55.95 56.46 1vpx s SER 111 Cb 0.00 0.31 1.26 0.00 0.10 0.00 0.00 66.02 67.69 1vpx s SER 111 CO 0.00 -0.53 2.05 1.55 0.98 0.00 0.00 173.24 177.29 1vpx h PRO 112 N 3.55 0.00 -0.15 4.02 0.13 -1.96 -2.84 132.00 134.75 1vpx h PRO 112 Ca -0.31 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 1vpx h PRO 112 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1vpx h PRO 112 CO 0.45 0.14 0.07 0.00 -0.23 0.00 0.00 178.00 178.43 1vpx h ALA 113 N 1.86 0.19 -0.55 -0.56 0.00 -1.99 -1.83 119.26 116.39 1vpx h ALA 113 Ca -0.00 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1vpx h ALA 113 Cb 0.29 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1vpx h ALA 113 CO 0.02 -0.25 0.29 1.96 0.00 0.00 0.00 179.25 181.27 1vpx h GLN 114 N 0.11 0.55 -0.28 0.00 4.20 -1.95 -2.43 115.11 115.31 1vpx h GLN 114 Ca 0.05 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1vpx h GLN 114 Cb 0.11 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1vpx h GLN 114 CO -0.01 0.36 0.12 0.00 -0.67 0.00 0.00 178.83 178.64 1vpx h ALA 115 N 1.28 1.69 -0.20 3.87 0.00 -1.27 -1.23 119.26 123.39 1vpx h ALA 115 Ca 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1vpx h ALA 115 Cb 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1vpx h ALA 115 CO -0.15 0.25 0.03 0.82 0.00 0.00 0.00 179.25 180.20 1vpx h ILE 116 N 0.39 1.23 -0.64 0.00 2.04 -0.86 -2.36 117.51 117.31 1vpx h ILE 116 Ca 0.10 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1vpx h ILE 116 Cb 0.07 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1vpx h ILE 116 CO -0.01 0.23 0.35 -0.07 0.00 0.00 0.00 178.15 178.65 1vpx h LEU 117 N 0.12 0.80 -0.63 1.44 3.38 -1.08 -0.79 115.31 118.55 1vpx h LEU 117 Ca 0.06 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1vpx h LEU 117 Cb 0.33 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1vpx h LEU 117 CO 0.00 0.66 0.40 0.00 0.09 0.00 0.00 178.44 179.60 1vpx h ALA 118 N 1.17 0.80 -0.46 1.53 0.00 -1.20 -0.58 119.26 120.52 1vpx h ALA 118 Ca 0.23 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1vpx h ALA 118 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1vpx h ALA 118 CO -0.04 0.19 -0.21 0.00 0.00 0.00 0.00 179.25 179.20 1vpx h ALA 119 N 1.25 0.65 -0.01 0.00 0.00 -1.18 -1.69 119.26 118.27 1vpx h ALA 119 Ca 0.24 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1vpx h ALA 119 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1vpx h ALA 119 CO -0.07 0.63 -0.40 0.87 0.00 0.00 0.00 179.25 180.28 1vpx h LYS 120 N 0.80 0.03 0.00 0.00 1.57 -0.62 -2.37 116.57 115.98 1vpx h LYS 120 Ca 0.11 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1vpx h LYS 120 Cb 0.78 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1vpx h LYS 120 CO 0.06 0.42 0.00 0.00 -0.57 0.00 0.00 179.45 179.37 1vpx h ALA 121 N 1.58 1.00 0.00 3.86 0.00 -1.06 -3.47 119.26 121.18 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 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1vpx h ALA 121 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1vpx n GLY 122 N 0.42 1.73 3.74 0.00 0.00 -0.89 -3.46 105.19 106.73 1vpx n GLY 122 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.21 1.79 0.03 4.61 0.00 -0.65 -4.82 120.51 120.26 1vpx n ALA 123 Ca 0.00 0.23 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 1vpx n ALA 123 Cb 0.00 -2.36 -0.10 0.00 0.00 0.00 0.00 19.45 16.99 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 2.08 1.31 -3.81 0.00 2.02 -1.58 -3.35 112.91 109.58 1vpx h THR 124 Ca -0.50 -2.19 -0.26 0.00 0.77 0.00 0.00 66.41 64.23 1vpx h THR 124 Cb 1.28 2.42 -0.17 0.00 -1.74 0.00 0.00 68.15 69.95 1vpx h THR 124 CO 0.60 0.67 -0.71 -0.31 0.37 0.00 0.00 175.52 176.14 1vpx s TYR 125 N -3.31 0.90 0.07 3.16 2.02 0.10 -0.95 117.35 119.34 1vpx s TYR 125 Ca -0.11 -0.78 0.09 0.00 -0.37 0.00 0.00 57.07 55.91 1vpx s TYR 125 Cb 0.06 -0.51 -0.03 0.00 -0.40 0.00 0.00 41.96 41.08 1vpx s TYR 125 CO 0.90 -0.10 -0.25 0.14 -1.57 0.00 0.00 175.55 174.67 1vpx s VAL 126 N -2.94 2.04 -0.48 0.71 -7.23 -0.08 -1.58 120.40 110.84 1vpx s VAL 126 Ca 0.06 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 58.81 1vpx s VAL 126 Cb 0.01 -1.77 0.13 0.00 0.56 0.00 0.00 36.38 35.31 1vpx s VAL 126 CO -0.03 0.23 0.25 -0.44 -0.31 0.00 0.00 175.10 174.80 1vpx s SER 127 N -1.48 4.03 0.17 4.85 0.01 0.61 -0.57 113.70 121.32 1vpx s SER 127 Ca 0.11 -2.84 -0.30 0.00 1.31 0.00 0.00 55.95 54.23 1vpx s SER 127 Cb -0.10 -1.38 -0.08 0.00 0.21 0.00 0.00 66.02 64.67 1vpx s SER 127 CO 0.03 -0.25 1.27 -2.84 0.41 0.00 0.00 173.24 171.87 1vpx s PRO 128 N -0.01 4.42 -0.86 12.44 0.02 -1.20 -3.38 135.00 146.43 1vpx s PRO 128 Ca 0.17 1.97 -0.18 0.00 0.02 0.00 0.00 61.00 62.98 1vpx s PRO 128 Cb -0.25 -3.23 0.15 0.00 0.02 0.00 0.00 34.50 31.18 1vpx s PRO 128 CO 0.00 -0.22 0.99 -0.06 -0.33 0.00 0.00 177.00 177.38 1vpx s PHE 129 N 0.27 3.24 0.01 6.54 0.40 -0.56 -1.53 117.98 126.36 1vpx s PHE 129 Ca 0.57 -1.45 -0.25 0.00 -0.60 0.00 0.00 56.93 55.19 1vpx s PHE 129 Cb -0.35 -4.15 -0.14 0.00 0.51 0.00 0.00 43.02 38.90 1vpx s PHE 129 CO 0.36 -1.36 1.06 0.28 0.70 0.00 0.00 175.22 176.26 1vpx h VAL 130 N 5.60 0.00 -0.16 -0.44 2.07 -1.45 -3.07 116.25 118.80 1vpx h VAL 130 Ca 0.08 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1vpx h VAL 130 Cb 1.04 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1vpx h VAL 130 CO 1.03 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 179.84 1vpx h GLY 131 N -1.23 0.25 1.52 2.17 0.00 -0.83 -0.38 103.07 104.57 1vpx h GLY 131 Ca -0.09 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1vpx h GLY 131 CO 0.15 0.11 -0.32 -0.09 0.00 0.00 0.00 176.54 176.40 1vpx h ARG 132 N 0.23 0.54 -0.28 4.80 2.43 -1.77 -1.92 114.38 118.41 1vpx h ARG 132 Ca 0.05 -0.24 -0.15 0.00 -0.81 0.00 0.00 59.98 58.84 1vpx h ARG 132 Cb 0.18 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1vpx h ARG 132 CO 0.00 0.80 -0.41 0.52 -1.51 0.00 0.00 179.97 179.37 1vpx h MET 133 N 0.47 0.77 -0.85 0.20 2.86 -1.29 -3.21 114.93 113.87 1vpx h MET 133 Ca 0.06 -0.46 0.15 0.00 -2.06 0.00 0.00 59.70 57.38 1vpx h MET 133 Cb 0.79 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.39 1vpx h MET 133 CO 0.06 1.08 0.45 -0.44 1.06 0.00 0.00 176.91 179.12 1vpx h ASP 134 N 0.52 0.55 0.31 1.22 5.19 -0.88 -1.73 116.42 121.59 1vpx h ASP 134 Ca 0.03 0.09 -0.04 0.00 -0.62 0.00 0.00 57.03 56.49 1vpx h ASP 134 Cb 1.01 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 1vpx h ASP 134 CO 0.10 0.23 -0.17 0.44 -3.12 0.00 0.00 179.24 176.72 1vpx h ASP 135 N 0.64 0.00 0.34 6.45 5.19 -1.36 -0.61 116.42 127.06 1vpx h ASP 135 Ca 0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 1vpx h ASP 135 Cb 0.65 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1vpx h ASP 135 CO -0.36 0.17 0.00 0.18 -3.12 0.00 0.00 179.24 176.11 1vpx n LEU 136 N -3.91 0.00 -1.35 1.55 4.32 -0.67 -4.90 117.00 112.04 1vpx n LEU 136 Ca -0.02 0.19 -0.17 0.00 -0.02 0.00 0.00 56.01 55.98 1vpx n LEU 136 Cb 0.26 -0.19 -0.07 0.00 -1.62 0.00 0.00 43.42 41.80 1vpx n LEU 136 CO 0.33 -0.02 -0.17 -1.20 -1.22 0.00 0.00 177.39 175.12 1vpx n SER 137 N -1.19 -5.06 -1.18 -1.43 7.64 -0.24 -4.89 113.62 107.27 1vpx n SER 137 Ca 0.16 0.40 0.11 0.00 1.01 0.00 0.00 58.87 60.55 1vpx n SER 137 Cb 0.18 -4.08 0.28 0.00 -1.01 0.00 0.00 64.21 59.58 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 -0.79 3.47 -2.25 6.43 5.03 -1.12 -5.03 115.26 120.99 1vpx n ASN 138 Ca -0.17 -1.98 -0.01 0.00 0.87 0.00 0.00 54.58 53.29 1vpx n ASN 138 Cb 0.57 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.96 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 1.43 -5.68 0.01 6.41 -0.08 -1.24 -4.85 116.55 112.54 1vpx n ASP 139 Ca 0.21 0.82 -0.04 0.00 -1.51 0.00 0.00 54.79 54.27 1vpx n ASP 139 Cb 0.57 -3.66 0.18 0.00 2.34 0.00 0.00 41.12 40.55 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 1.79 0.55 1.82 0.27 0.00 -1.75 -2.92 103.07 102.82 1vpx h GLY 140 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1vpx h GLY 140 CO 0.07 0.42 -0.33 -0.33 0.00 0.00 0.00 176.54 176.37 1vpx h MET 141 N 0.44 0.20 -0.37 4.80 2.86 -1.93 -0.40 114.93 120.54 1vpx h MET 141 Ca 0.06 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1vpx h MET 141 Cb 0.71 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1vpx h MET 141 CO 0.05 0.52 -0.13 -0.09 1.06 0.00 0.00 176.91 178.32 1vpx h ARG 142 N 0.18 0.73 -0.22 1.72 2.43 -1.89 -1.06 114.38 116.27 1vpx h ARG 142 Ca 0.02 -0.30 -0.12 0.00 -0.81 0.00 0.00 59.98 58.77 1vpx h ARG 142 Cb 0.67 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1vpx h ARG 142 CO 0.05 0.90 -0.36 0.00 -1.51 0.00 0.00 179.97 179.05 1vpx h MET 143 N 0.53 0.49 -0.27 0.20 -0.00 -1.28 -1.08 114.93 113.52 1vpx h MET 143 Ca 0.09 -0.23 -0.00 0.00 -0.00 0.00 0.00 59.70 59.56 1vpx h MET 143 Cb 0.66 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.24 1vpx h MET 143 CO 0.04 0.78 0.16 1.25 -0.00 0.00 0.00 176.91 179.14 1vpx h LEU 144 N 0.41 0.32 -1.46 -0.10 5.85 -1.03 -2.49 115.31 116.81 1vpx h LEU 144 Ca 0.04 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1vpx h LEU 144 Cb 0.83 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1vpx h LEU 144 CO 0.07 0.29 0.46 1.23 -0.34 0.00 0.00 178.44 180.14 1vpx h GLY 145 N 0.33 0.85 1.42 3.75 0.00 -0.71 -0.74 103.07 107.98 1vpx h GLY 145 Ca 0.10 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 1vpx h GLY 145 CO -0.02 0.17 -0.39 0.83 0.00 0.00 0.00 176.54 177.14 1vpx h GLU 146 N 0.63 0.64 -0.25 4.80 5.08 -0.98 -1.25 114.58 123.26 1vpx h GLU 146 Ca 0.31 -0.32 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1vpx h GLU 146 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1vpx h GLU 146 CO -0.10 0.92 -0.28 0.82 -1.00 0.00 0.00 179.01 179.37 1vpx h ILE 147 N 0.53 1.31 -0.11 3.13 2.04 -0.87 -1.56 117.51 121.98 1vpx h ILE 147 Ca 0.05 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.49 1vpx h ILE 147 Cb 0.90 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 38.62 1vpx h ILE 147 CO 0.08 0.46 -0.17 0.58 0.00 0.00 0.00 178.15 179.10 1vpx h VAL 148 N 0.33 0.56 -0.61 1.67 2.07 -1.15 -0.14 116.25 118.99 1vpx h VAL 148 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.62 1vpx h VAL 148 Cb 0.85 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1vpx h VAL 148 CO 0.07 0.00 0.31 -0.08 0.02 0.00 0.00 177.57 177.89 1vpx h GLU 149 N -0.22 0.56 -0.35 1.57 4.57 -1.14 0.60 114.58 120.17 1vpx h GLU 149 Ca 0.09 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1vpx h GLU 149 Cb 0.35 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1vpx h GLU 149 CO -0.24 0.37 -0.06 0.82 -1.18 0.00 0.00 179.01 178.72 1vpx h ILE 150 N 0.58 1.27 -0.52 2.32 2.04 -1.12 -0.90 117.51 121.20 1vpx h ILE 150 Ca 0.28 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 1vpx h ILE 150 Cb 0.21 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1vpx h ILE 150 CO -0.20 0.36 0.10 1.88 0.00 0.00 0.00 178.15 180.30 1vpx h TYR 151 N 0.45 0.83 -0.74 1.37 -1.99 -0.68 -1.98 116.97 114.23 1vpx h TYR 151 Ca 0.09 -0.08 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 1vpx h TYR 151 Cb 0.56 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 39.02 1vpx h TYR 151 CO 0.05 0.71 0.25 -0.91 -0.00 0.00 0.00 178.16 178.26 1vpx h ASN 152 N 0.77 1.06 -0.77 3.88 2.35 -0.69 0.10 115.58 122.27 1vpx h ASN 152 Ca 0.17 -0.20 0.08 0.00 -0.55 0.00 0.00 56.30 55.80 1vpx h ASN 152 Cb 0.32 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 1vpx h ASN 152 CO 0.00 0.97 0.51 0.78 -1.65 0.00 0.00 177.43 178.04 1vpx h ASN 153 N 1.08 0.68 -0.00 5.81 2.35 -0.41 -3.24 115.58 121.86 1vpx h ASN 153 Ca 0.24 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1vpx h ASN 153 Cb 0.28 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1vpx h ASN 153 CO -0.01 0.43 -0.13 -1.22 -1.65 0.00 0.00 177.43 174.85 1vpx n TYR 154 N -4.49 0.00 -3.91 1.19 4.01 -1.01 -5.01 117.16 107.94 1vpx n TYR 154 Ca 0.12 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.58 1vpx n TYR 154 Cb 0.27 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.31 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 0.77 -0.40 3.69 2.72 0.00 0.34 -4.92 105.19 107.39 1vpx n GLY 155 Ca 0.02 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.51 2.28 0.25 1.61 3.72 -1.23 -4.88 117.46 114.70 1vpx n PHE 156 Ca -0.09 0.50 0.11 0.00 -0.05 0.00 0.00 57.45 57.93 1vpx n PHE 156 Cb 0.58 -2.44 0.62 0.00 -0.94 0.00 0.00 39.48 37.30 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 3.12 0.00 -6.46 -1.08 3.07 -1.91 -3.45 114.58 107.87 1vpx h GLU 157 Ca -0.46 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 57.79 1vpx h GLU 157 Cb 1.28 0.00 0.06 0.00 -0.84 0.00 0.00 28.75 29.25 1vpx h GLU 157 CO 0.67 0.17 0.63 2.41 -1.40 0.00 0.00 179.01 181.49 1vpx n THR 158 N -3.54 0.31 -3.94 1.13 -1.04 -1.26 -4.98 114.28 100.97 1vpx n THR 158 Ca -0.01 -0.08 -0.34 0.00 -2.04 0.00 0.00 64.05 61.58 1vpx n THR 158 Cb 0.32 -1.30 -0.05 0.00 -1.82 0.00 0.00 70.33 67.47 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 0.38 3.38 -0.20 -2.82 2.02 -0.12 -4.91 118.70 116.42 1vpx s GLU 159 Ca 0.77 -0.32 -0.16 0.00 0.02 0.00 0.00 54.97 55.28 1vpx s GLU 159 Cb -0.75 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.37 1vpx s GLU 159 CO 0.44 0.69 0.41 0.42 0.02 0.00 0.00 175.26 177.24 1vpx s ILE 160 N -1.25 5.19 -0.41 -1.63 1.01 -1.26 -0.90 121.20 121.95 1vpx s ILE 160 Ca 0.24 0.73 -0.11 0.00 0.00 0.00 0.00 60.65 61.51 1vpx s ILE 160 Cb -0.12 -3.74 0.05 0.00 0.01 0.00 0.00 42.46 38.66 1vpx s ILE 160 CO 0.15 0.24 0.26 -0.63 0.00 0.00 0.00 174.94 174.97 1vpx s ILE 161 N 1.37 4.63 -0.07 2.92 1.01 0.26 -0.81 121.20 130.51 1vpx s ILE 161 Ca 0.19 -1.05 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 1vpx s ILE 161 Cb -0.15 -3.69 -0.07 0.00 0.01 0.00 0.00 42.46 38.57 1vpx s ILE 161 CO 0.08 -0.38 1.92 0.00 0.00 0.00 0.00 174.94 176.56 1vpx s ALA 162 N 1.54 3.37 0.49 9.38 0.00 0.52 -3.25 121.76 133.81 1vpx s ALA 162 Ca 0.03 1.03 0.03 0.00 0.00 0.00 0.00 51.96 53.05 1vpx s ALA 162 Cb -0.21 -3.88 -0.03 0.00 0.00 0.00 0.00 23.12 19.00 1vpx s ALA 162 CO 0.06 -1.85 0.01 0.00 0.00 0.00 0.00 175.76 173.98 1vpx s ALA 163 N 5.30 3.91 -1.38 0.00 0.00 -0.58 -1.41 121.76 127.60 1vpx s ALA 163 Ca 0.86 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 1vpx s ALA 163 Cb -0.37 0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1vpx s ALA 163 CO 0.37 -0.05 0.71 0.45 0.00 0.00 0.00 175.76 177.24 1vpx n SER 164 N -1.21 -1.81 -4.71 0.00 2.88 -1.26 -1.58 113.62 105.93 1vpx n SER 164 Ca -0.16 -0.85 -0.39 0.00 -1.33 0.00 0.00 58.87 56.14 1vpx n SER 164 Cb 0.67 -3.82 -0.05 0.00 -0.75 0.00 0.00 64.21 60.26 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 -3.64 5.09 0.00 2.46 -1.09 -1.26 -0.31 121.20 122.45 1vpx s ILE 165 Ca 0.16 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 59.82 1vpx s ILE 165 Cb -0.08 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 1vpx s ILE 165 CO 0.83 0.25 0.00 0.54 -1.23 0.00 0.00 174.94 175.33 1vpx n ARG 166 N 3.97 3.21 -3.52 2.79 5.12 -1.26 -4.45 116.66 122.52 1vpx n ARG 166 Ca -0.03 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.80 1vpx n ARG 166 Cb 0.51 -0.75 -0.02 0.00 -1.16 0.00 0.00 32.46 31.05 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 -1.47 -0.39 0.37 -1.55 -3.43 -1.26 -4.93 115.29 102.64 1vpx s HIS 167 Ca 0.00 0.18 0.13 0.00 -0.80 0.00 0.00 55.06 54.57 1vpx s HIS 167 Cb 0.00 0.57 0.96 0.00 -1.43 0.00 0.00 32.58 32.68 1vpx s HIS 167 CO 0.00 -0.75 1.80 -1.35 -2.00 0.00 0.00 174.74 172.45 1vpx h PRO 168 N 2.00 0.52 -0.00 -0.38 0.11 -1.98 -1.64 132.00 130.63 1vpx h PRO 168 Ca -0.27 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 1vpx h PRO 168 Cb 1.27 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1vpx h PRO 168 CO 0.32 0.35 -0.35 0.52 -0.21 0.00 0.00 178.00 178.63 1vpx h MET 169 N 0.54 0.01 -0.55 1.05 2.86 -1.99 -1.47 114.93 115.38 1vpx h MET 169 Ca 0.54 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 58.23 1vpx h MET 169 Cb 1.16 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.77 1vpx h MET 169 CO -0.28 0.36 0.28 0.45 1.06 0.00 0.00 176.91 178.78 1vpx h HIS 170 N 0.01 0.52 -0.45 -0.22 3.86 -1.72 -0.47 115.15 116.67 1vpx h HIS 170 Ca -0.00 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 1vpx h HIS 170 Cb 0.62 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 1vpx h HIS 170 CO 0.00 0.25 0.10 0.28 0.86 0.00 0.00 177.93 179.42 1vpx h VAL 171 N 0.54 1.24 -0.15 2.45 2.07 -1.29 -1.32 116.25 119.80 1vpx h VAL 171 Ca 0.25 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1vpx h VAL 171 Cb 0.16 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1vpx h VAL 171 CO -0.17 0.30 -0.08 0.58 0.02 0.00 0.00 177.57 178.21 1vpx h VAL 172 N 0.60 1.32 -0.55 2.57 2.07 -1.18 -1.08 116.25 119.99 1vpx h VAL 172 Ca 0.14 -1.15 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1vpx h VAL 172 Cb 0.34 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1vpx h VAL 172 CO 0.00 0.34 0.06 -0.33 0.02 0.00 0.00 177.57 177.66 1vpx h GLU 173 N -0.03 0.90 -0.62 1.57 5.08 -1.10 -0.40 114.58 119.98 1vpx h GLU 173 Ca 0.03 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1vpx h GLU 173 Cb 0.57 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1vpx h GLU 173 CO 0.02 0.85 0.29 0.00 -1.00 0.00 0.00 179.01 179.17 1vpx h ALA 174 N 1.22 0.80 -0.44 3.43 0.00 -1.20 -2.51 119.26 120.56 1vpx h ALA 174 Ca 0.17 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1vpx h ALA 174 Cb 0.41 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1vpx h ALA 174 CO 0.01 0.38 -0.17 0.00 0.00 0.00 0.00 179.25 179.47 1vpx h ALA 175 N 1.12 0.87 -0.03 0.00 0.00 -0.77 -1.92 119.26 118.53 1vpx h ALA 175 Ca 0.21 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1vpx h ALA 175 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1vpx h ALA 175 CO -0.02 0.64 -0.27 -0.07 0.00 0.00 0.00 179.25 179.52 1vpx h LEU 176 N 0.75 0.05 0.00 0.00 3.38 -0.87 -1.62 115.31 117.00 1vpx h LEU 176 Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1vpx h LEU 176 Cb 0.69 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1vpx h LEU 176 CO 0.05 0.33 -0.33 0.23 0.09 0.00 0.00 178.44 178.81 1vpx n MET 177 N -4.20 0.25 -2.05 1.13 2.81 -0.96 -4.97 117.12 109.13 1vpx n MET 177 Ca -0.02 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1vpx n MET 177 Cb 0.33 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 1vpx n MET 177 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1vpx n GLY 178 N 1.34 0.86 3.74 3.03 0.00 -0.61 -4.98 105.19 108.57 1vpx n GLY 178 Ca 0.05 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.63 2.12 0.08 1.61 0.11 -0.78 -4.93 120.40 115.98 1vpx s VAL 179 Ca 0.00 0.08 -0.17 0.00 -2.93 0.00 0.00 61.98 58.96 1vpx s VAL 179 Cb 0.00 -3.04 -0.10 0.00 -1.53 0.00 0.00 36.38 31.71 1vpx s VAL 179 CO 0.00 -0.01 1.41 0.44 -3.33 0.00 0.00 175.10 173.61 1vpx h ASP 180 N 0.95 0.56 -3.76 3.54 3.32 -1.90 -3.46 116.42 115.67 1vpx h ASP 180 Ca -0.51 -0.44 -0.20 0.00 0.02 0.00 0.00 57.03 55.90 1vpx h ASP 180 Cb 1.32 -0.16 -0.27 0.00 0.22 0.00 0.00 39.33 40.44 1vpx h ASP 180 CO 0.55 0.88 -0.59 -0.63 -1.72 0.00 0.00 179.24 177.74 1vpx s ILE 181 N -4.46 -0.00 -0.09 0.35 1.01 0.01 -1.65 121.20 116.36 1vpx s ILE 181 Ca -0.13 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1vpx s ILE 181 Cb 0.07 -0.17 -0.01 0.00 0.01 0.00 0.00 42.46 42.37 1vpx s ILE 181 CO 0.79 0.00 -0.20 0.54 0.00 0.00 0.00 174.94 176.07 1vpx s VAL 182 N 0.11 2.43 -0.17 2.92 0.11 -0.51 -0.35 120.40 124.94 1vpx s VAL 182 Ca -0.00 -0.90 -0.04 0.00 -2.93 0.00 0.00 61.98 58.10 1vpx s VAL 182 Cb -0.01 -1.95 -0.03 0.00 -1.53 0.00 0.00 36.38 32.86 1vpx s VAL 182 CO -0.00 0.55 -0.03 0.28 -3.33 0.00 0.00 175.10 172.57 1vpx s THR 183 N 0.13 3.86 0.04 5.04 -1.32 -0.50 -1.28 115.64 121.61 1vpx s THR 183 Ca -0.10 -0.36 -0.09 0.00 -1.21 0.00 0.00 61.69 59.92 1vpx s THR 183 Cb -0.16 -2.70 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 1vpx s THR 183 CO 0.06 0.48 0.20 0.00 -2.21 0.00 0.00 174.62 173.14 1vpx s MET 184 N 0.53 0.70 0.72 7.08 0.23 -0.71 -4.24 119.30 123.62 1vpx s MET 184 Ca -0.03 -0.64 -0.14 0.00 -1.03 0.00 0.00 55.69 53.85 1vpx s MET 184 Cb -0.14 0.29 0.04 0.00 -1.53 0.00 0.00 34.83 33.48 1vpx s MET 184 CO 0.03 -0.20 1.15 -2.14 -2.03 0.00 0.00 175.02 171.82 1vpx s PRO 185 N -2.63 2.30 0.31 3.16 0.02 -1.26 -1.03 135.00 135.87 1vpx s PRO 185 Ca -0.05 1.53 -0.00 0.00 0.02 0.00 0.00 61.00 62.51 1vpx s PRO 185 Cb -0.01 -1.88 0.52 0.00 0.02 0.00 0.00 34.50 33.15 1vpx s PRO 185 CO -0.04 -1.67 1.96 0.35 -0.33 0.00 0.00 177.00 177.28 1vpx h PHE 186 N -0.41 0.98 -0.84 6.54 3.57 -1.96 -2.00 116.94 122.82 1vpx h PHE 186 Ca -0.46 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.12 1vpx h PHE 186 Cb 1.27 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.62 1vpx h PHE 186 CO 0.51 0.59 0.55 0.00 -2.23 0.00 0.00 178.31 177.73 1vpx h ALA 187 N 1.52 1.58 -0.36 2.41 0.00 -1.96 -0.40 119.26 122.04 1vpx h ALA 187 Ca 0.31 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 1vpx h ALA 187 Cb -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1vpx h ALA 187 CO -0.08 0.30 -0.42 0.28 0.00 0.00 0.00 179.25 179.33 1vpx h VAL 188 N 0.93 1.27 -0.41 0.00 2.07 -1.73 -2.94 116.25 115.45 1vpx h VAL 188 Ca 0.36 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1vpx h VAL 188 Cb 0.21 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1vpx h VAL 188 CO -0.13 0.53 0.25 0.25 0.02 0.00 0.00 177.57 178.50 1vpx h LEU 189 N 0.74 0.42 -1.10 2.57 5.85 -0.87 -2.15 115.31 120.78 1vpx h LEU 189 Ca 0.05 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1vpx h LEU 189 Cb 1.02 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1vpx h LEU 189 CO 0.10 0.30 0.61 -0.33 -0.34 0.00 0.00 178.44 178.78 1vpx h GLU 190 N 0.51 1.04 -0.29 1.25 5.08 -1.10 -1.26 114.58 119.81 1vpx h GLU 190 Ca 0.16 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1vpx h GLU 190 Cb -0.02 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1vpx h GLU 190 CO -0.06 0.69 0.07 0.87 -1.00 0.00 0.00 179.01 179.58 1vpx h LYS 191 N 1.07 0.41 0.00 2.33 1.57 -1.21 -2.98 116.57 117.75 1vpx h LYS 191 Ca 0.41 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 1vpx h LYS 191 Cb 0.22 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1vpx h LYS 191 CO -0.16 0.38 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.96 1vpx h LEU 192 N 0.40 0.00 -1.45 2.94 4.07 -0.90 -1.00 115.31 119.37 1vpx h LEU 192 Ca 0.10 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 1vpx h LEU 192 Cb 0.16 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1vpx h LEU 192 CO -0.00 0.07 -0.27 -0.26 -1.08 0.00 0.00 178.44 176.90 1vpx h PHE 193 N 0.00 0.00 -3.07 1.13 -1.00 -1.57 -3.47 116.94 108.97 1vpx h PHE 193 Ca -0.00 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.18 1vpx h PHE 193 Cb 0.14 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.64 1vpx h PHE 193 CO 0.00 0.27 -0.19 0.15 -1.61 0.00 0.00 178.31 176.93 1vpx s LYS 194 N -4.17 3.99 -0.19 1.51 1.02 -0.38 -5.08 119.74 116.45 1vpx s LYS 194 Ca -0.02 0.43 -0.16 0.00 0.02 0.00 0.00 55.97 56.23 1vpx s LYS 194 Cb 0.14 -3.25 0.05 0.00 -0.52 0.00 0.00 37.83 34.25 1vpx s LYS 194 CO 0.67 0.62 0.50 -1.58 -0.92 0.00 0.00 175.35 174.64 1vpx s HIS 195 N -0.86 -0.57 0.48 3.18 2.46 -1.26 -5.04 115.29 113.67 1vpx s HIS 195 Ca 0.24 1.36 0.17 0.00 0.47 0.00 0.00 55.06 57.30 1vpx s HIS 195 Cb -0.17 0.21 1.19 0.00 -0.13 0.00 0.00 32.58 33.68 1vpx s HIS 195 CO 0.13 -0.28 2.07 -1.00 -2.47 0.00 0.00 174.74 173.19 1vpx h PRO 196 N 5.59 0.00 -0.03 2.88 0.13 -2.00 -2.35 132.00 136.23 1vpx h PRO 196 Ca -0.28 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.20 0.11 -0.62 0.52 -0.23 0.00 0.00 178.00 177.98 1vpx h MET 197 N 0.00 0.11 -0.26 0.86 2.86 -1.99 -1.29 114.93 115.23 1vpx h MET 197 Ca -0.00 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1vpx h MET 197 Cb 0.21 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1vpx h MET 197 CO 0.01 0.70 0.12 1.15 1.06 0.00 0.00 176.91 179.95 1vpx h THR 198 N 0.08 1.16 -0.78 2.22 2.02 -1.85 -0.46 112.91 115.29 1vpx h THR 198 Ca -0.01 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.66 1vpx h THR 198 Cb 1.12 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 1vpx h THR 198 CO 0.09 0.16 0.28 0.44 0.37 0.00 0.00 175.52 176.86 1vpx h ASP 199 N 0.28 1.11 -0.49 4.18 5.19 -1.21 -0.35 116.42 125.11 1vpx h ASP 199 Ca 0.09 -0.19 -0.13 0.00 -0.62 0.00 0.00 57.03 56.18 1vpx h ASP 199 Cb 0.14 -0.29 -0.01 0.00 0.18 0.00 0.00 39.33 39.35 1vpx h ASP 199 CO -0.01 1.00 -0.20 -0.07 -3.12 0.00 0.00 179.24 176.84 1vpx h LEU 200 N 1.15 1.03 -0.69 1.55 3.38 -1.23 -2.00 115.31 118.51 1vpx h LEU 200 Ca 0.26 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1vpx h LEU 200 Cb 0.26 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1vpx h LEU 200 CO -0.02 1.19 0.39 1.23 0.09 0.00 0.00 178.44 181.33 1vpx h GLY 201 N 0.87 1.02 0.97 0.83 0.00 -0.57 -0.29 103.07 105.90 1vpx h GLY 201 Ca 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1vpx h GLY 201 CO 0.07 0.16 0.16 -2.22 0.00 0.00 0.00 176.54 174.70 1vpx h ILE 202 N 0.71 1.23 -0.93 2.60 2.04 -0.89 0.26 117.51 122.53 1vpx h ILE 202 Ca 0.31 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1vpx h ILE 202 Cb 0.20 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 1vpx h ILE 202 CO -0.19 0.28 0.60 -0.33 0.00 0.00 0.00 178.15 178.51 1vpx h GLU 203 N 0.66 1.24 0.25 2.37 5.08 -0.96 -2.23 114.58 121.00 1vpx h GLU 203 Ca 0.16 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1vpx h GLU 203 Cb 0.27 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1vpx h GLU 203 CO -0.01 0.84 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.63 1vpx h ARG 204 N 1.27 -0.33 0.71 2.33 9.65 -0.76 -3.35 114.38 123.90 1vpx h ARG 204 Ca 0.34 0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.21 1vpx h ARG 204 Cb -0.12 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1vpx h ARG 204 CO -0.07 -0.22 -0.41 0.74 2.80 0.00 0.00 179.97 182.81 1vpx h PHE 205 N -0.82 -1.09 -0.89 2.20 0.04 -0.59 -3.23 116.94 112.56 1vpx h PHE 205 Ca -0.03 -0.01 -0.66 0.00 2.80 0.00 0.00 57.97 60.06 1vpx h PHE 205 Cb 0.26 0.38 -0.08 0.00 2.20 0.00 0.00 35.95 38.71 1vpx h PHE 205 CO 0.02 -0.63 2.08 -1.64 -0.60 0.00 0.00 178.31 177.54 1vpx s MET 206 N -6.00 3.90 0.00 1.51 1.00 -0.84 -5.08 119.30 113.80 1vpx s MET 206 Ca -0.18 -1.86 0.00 0.00 0.00 0.00 0.00 55.69 53.65 1vpx s MET 206 Cb 0.03 -5.51 0.00 0.00 0.00 0.00 0.00 34.83 29.36 1vpx s MET 206 CO 0.61 -2.29 0.00 -1.91 0.00 0.00 0.00 175.02 171.43