#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 4.46 0.02 -1.40 1.75 -1.26 -4.95 119.30 117.92 1vpx s MET 1 Ca 0.00 1.90 -0.04 0.00 -1.25 0.00 0.00 55.69 56.30 1vpx s MET 1 Cb 0.00 -3.24 -0.04 0.00 2.84 0.00 0.00 34.83 34.38 1vpx s MET 1 CO 0.00 -0.15 0.24 0.15 -0.65 0.00 0.00 175.02 174.61 1vpx s LYS 2 N -0.03 3.51 -0.17 4.11 -0.14 -0.59 -5.02 119.74 121.41 1vpx s LYS 2 Ca 0.55 -0.21 -0.01 0.00 -1.36 0.00 0.00 55.97 54.94 1vpx s LYS 2 Cb -0.33 -3.06 -0.00 0.00 -1.68 0.00 0.00 37.83 32.75 1vpx s LYS 2 CO 0.36 0.64 -0.13 0.42 -0.76 0.00 0.00 175.35 175.88 1vpx s ILE 3 N -1.36 2.77 0.17 2.17 1.01 -1.26 -1.44 121.20 123.26 1vpx s ILE 3 Ca 0.29 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 60.27 1vpx s ILE 3 Cb -0.13 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 1vpx s ILE 3 CO 0.19 0.50 0.17 -0.36 0.00 0.00 0.00 174.94 175.44 1vpx s PHE 4 N 1.00 3.21 -0.14 3.97 0.40 -0.39 -0.35 117.98 125.68 1vpx s PHE 4 Ca -0.02 0.00 -0.05 0.00 -0.60 0.00 0.00 56.93 56.26 1vpx s PHE 4 Cb -0.15 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 1vpx s PHE 4 CO -0.02 0.52 0.05 -0.51 0.70 0.00 0.00 175.22 175.96 1vpx s LEU 5 N -3.19 3.82 -0.94 -0.37 1.43 -0.66 -1.71 118.68 117.07 1vpx s LEU 5 Ca 0.32 0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 53.37 1vpx s LEU 5 Cb -0.10 -1.93 0.08 0.00 0.03 0.00 0.00 46.19 44.27 1vpx s LEU 5 CO 0.25 0.28 1.28 -1.81 0.23 0.00 0.00 176.35 176.58 1vpx s ASP 6 N -0.30 6.50 0.09 2.29 1.11 0.77 -0.55 116.67 126.58 1vpx s ASP 6 Ca 0.08 -1.56 -0.26 0.00 0.18 0.00 0.00 52.55 50.99 1vpx s ASP 6 Cb -0.12 -2.49 0.08 0.00 1.07 0.00 0.00 42.92 41.46 1vpx s ASP 6 CO 0.02 -1.36 0.82 0.28 1.18 0.00 0.00 175.17 176.11 1vpx s THR 7 N 4.12 0.00 0.00 -1.27 -1.32 -1.02 -4.50 115.64 111.65 1vpx s THR 7 Ca 0.38 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 1vpx s THR 7 Cb -0.04 -1.28 0.00 0.00 -1.51 0.00 0.00 72.50 69.67 1vpx s THR 7 CO -0.06 0.00 0.62 0.00 -2.21 0.00 0.00 174.62 172.96 1vpx n ALA 8 N -0.34 2.04 -2.67 11.08 0.00 -1.26 -4.48 120.51 124.89 1vpx n ALA 8 Ca -0.10 -0.62 -0.43 0.00 0.00 0.00 0.00 53.44 52.30 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 -0.32 7.09 0.24 0.00 3.84 -1.26 -4.89 114.94 119.65 1vpx s ASN 9 Ca 0.00 1.36 0.12 0.00 0.21 0.00 0.00 52.86 54.55 1vpx s ASN 9 Cb 0.00 -2.52 0.19 0.00 -0.55 0.00 0.00 41.25 38.37 1vpx s ASN 9 CO 0.00 -0.56 1.50 -0.07 -2.79 0.00 0.00 177.10 175.18 1vpx h LEU 10 N 8.90 0.00 -0.05 3.21 4.07 -1.98 -2.54 115.31 126.92 1vpx h LEU 10 Ca -0.24 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 1vpx h LEU 10 Cb 1.09 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.83 1vpx h LEU 10 CO 0.92 0.68 0.00 -0.33 -1.08 0.00 0.00 178.44 178.63 1vpx h GLU 11 N 0.00 0.08 -0.25 1.13 3.07 -1.99 0.55 114.58 117.17 1vpx h GLU 11 Ca -0.01 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.77 1vpx h GLU 11 Cb 1.32 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.20 1vpx h GLU 11 CO 0.09 0.34 -0.11 1.05 -1.40 0.00 0.00 179.01 178.98 1vpx h GLU 12 N -0.18 0.41 -0.57 2.33 4.11 -1.97 -0.51 114.58 118.20 1vpx h GLU 12 Ca 0.01 -0.11 -0.06 0.00 0.07 0.00 0.00 59.36 59.27 1vpx h GLU 12 Cb 0.30 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1vpx h GLU 12 CO 0.00 0.53 0.10 0.82 0.07 0.00 0.00 179.01 180.53 1vpx h ILE 13 N 0.39 1.25 -0.24 -1.06 2.04 -1.37 -0.75 117.51 117.77 1vpx h ILE 13 Ca 0.08 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 64.99 1vpx h ILE 13 Cb 0.43 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1vpx h ILE 13 CO 0.02 0.35 0.15 0.11 0.00 0.00 0.00 178.15 178.78 1vpx h LYS 14 N 0.83 0.30 -0.64 2.37 1.57 -0.12 -0.43 116.57 120.44 1vpx h LYS 14 Ca 0.17 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1vpx h LYS 14 Cb 0.40 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1vpx h LYS 14 CO 0.01 0.20 0.39 0.87 -0.57 0.00 0.00 179.45 180.35 1vpx h LYS 15 N 0.31 0.75 -0.49 3.15 1.57 -1.05 0.25 116.57 121.06 1vpx h LYS 15 Ca 0.09 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1vpx h LYS 15 Cb -0.02 -0.17 -0.07 0.00 0.08 0.00 0.00 32.23 32.05 1vpx h LYS 15 CO -0.03 0.49 0.12 0.78 -0.57 0.00 0.00 179.45 180.24 1vpx h GLY 16 N 0.77 0.61 1.27 3.86 0.00 -0.68 -0.10 103.07 108.80 1vpx h GLY 16 Ca 0.26 -0.04 -0.22 0.00 0.00 0.00 0.00 47.33 47.33 1vpx h GLY 16 CO -0.11 -0.05 -0.82 -2.08 0.00 0.00 0.00 176.54 173.48 1vpx h VAL 17 N 0.26 1.30 -0.96 4.60 2.07 -0.71 -2.67 116.25 120.14 1vpx h VAL 17 Ca 0.24 -2.07 0.13 0.00 0.82 0.00 0.00 66.70 65.83 1vpx h VAL 17 Cb 0.31 2.09 -0.08 0.00 -1.52 0.00 0.00 31.29 32.09 1vpx h VAL 17 CO -0.30 0.65 0.61 -0.33 0.02 0.00 0.00 177.57 178.21 1vpx h GLU 18 N 0.46 0.84 0.00 1.57 5.08 -0.18 0.03 114.58 122.38 1vpx h GLU 18 Ca -0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1vpx h GLU 18 Cb 1.45 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1vpx h GLU 18 CO 0.16 0.56 0.00 -1.49 -1.00 0.00 0.00 179.01 177.24 1vpx h TRP 19 N 0.87 0.00 -1.48 4.33 6.55 -0.89 -3.47 115.95 121.86 1vpx h TRP 19 Ca 0.48 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 60.16 1vpx h TRP 19 Cb 0.59 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.90 1vpx h TRP 19 CO -0.00 0.00 -0.22 0.41 -1.05 0.00 0.00 178.44 177.58 1vpx n GLY 20 N 0.52 0.09 0.00 1.49 0.00 -0.01 -4.93 105.19 102.36 1vpx n GLY 20 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.91 0.00 -3.80 -0.61 5.41 -1.04 -5.00 119.36 110.41 1vpx n ILE 21 Ca -0.08 -0.01 -0.36 0.00 1.00 0.00 0.00 62.75 63.30 1vpx n ILE 21 Cb 0.57 0.50 -0.11 0.00 -0.71 0.00 0.00 39.64 39.88 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 -1.95 4.83 -0.45 1.39 1.01 -1.15 -4.25 120.40 119.85 1vpx s VAL 22 Ca 0.00 -0.00 0.19 0.00 0.00 0.00 0.00 61.98 62.17 1vpx s VAL 22 Cb 0.00 -3.24 -0.25 0.00 0.00 0.00 0.00 36.38 32.89 1vpx s VAL 22 CO 0.00 0.37 0.60 0.47 0.00 0.00 0.00 175.10 176.54 1vpx n ASP 23 N 4.35 0.73 -2.10 3.32 8.00 0.52 -4.66 116.55 126.72 1vpx n ASP 23 Ca -0.16 -0.46 0.01 0.00 0.71 0.00 0.00 54.79 54.89 1vpx n ASP 23 Cb 0.52 1.45 0.01 0.00 -0.02 0.00 0.00 41.12 43.07 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 1.42 0.52 2.94 0.44 0.00 -1.23 -3.71 105.19 105.58 1vpx n GLY 24 Ca -0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.13 -0.01 -0.08 1.61 1.01 0.29 -1.65 120.40 119.44 1vpx s VAL 25 Ca 0.12 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1vpx s VAL 25 Cb -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 1vpx s VAL 25 CO -0.00 0.01 -0.16 0.42 0.00 0.00 0.00 175.10 175.37 1vpx s THR 26 N 0.15 2.88 0.28 3.92 -4.23 0.29 -0.96 115.64 117.97 1vpx s THR 26 Ca -0.01 -0.77 0.04 0.00 -1.18 0.00 0.00 61.69 59.78 1vpx s THR 26 Cb -0.02 -2.14 -0.06 0.00 1.34 0.00 0.00 72.50 71.62 1vpx s THR 26 CO -0.00 0.57 0.02 0.42 -0.54 0.00 0.00 174.62 175.08 1vpx s THR 27 N -0.29 1.19 0.10 3.99 -4.23 -0.76 -2.43 115.64 113.21 1vpx s THR 27 Ca 0.02 -2.04 -0.23 0.00 -1.18 0.00 0.00 61.69 58.26 1vpx s THR 27 Cb -0.13 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.21 1vpx s THR 27 CO 0.03 -0.18 0.56 0.54 -0.54 0.00 0.00 174.62 175.03 1vpx s ASN 28 N -3.40 -0.50 0.63 3.99 2.20 -1.26 -4.57 114.94 112.03 1vpx s ASN 28 Ca 0.32 0.09 0.35 0.00 -0.94 0.00 0.00 52.86 52.68 1vpx s ASN 28 Cb 0.07 0.55 1.95 0.00 -2.00 0.00 0.00 41.25 41.81 1vpx s ASN 28 CO 0.12 -0.84 2.19 -0.65 -2.94 0.00 0.00 177.10 174.98 1vpx h PRO 29 N 2.38 0.00 0.19 3.55 0.11 -1.97 -1.20 132.00 135.05 1vpx h PRO 29 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1vpx h PRO 29 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1vpx h PRO 29 CO 0.40 0.00 -0.10 1.15 -0.21 0.00 0.00 178.00 179.24 1vpx h THR 30 N 0.00 0.80 0.40 -1.15 2.02 -1.98 0.93 112.91 113.92 1vpx h THR 30 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1vpx h THR 30 Cb 0.28 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1vpx h THR 30 CO -0.00 0.00 -0.19 -0.07 0.37 0.00 0.00 175.52 175.63 1vpx h LEU 31 N -0.27 -0.45 -0.77 2.58 3.38 -1.81 -1.10 115.31 116.87 1vpx h LEU 31 Ca -0.02 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.91 1vpx h LEU 31 Cb 0.21 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.97 1vpx h LEU 31 CO 0.04 -0.09 -0.39 2.30 0.09 0.00 0.00 178.44 180.38 1vpx n ILE 32 N -5.19 -0.48 0.22 1.22 -6.64 -0.51 0.11 119.36 108.09 1vpx n ILE 32 Ca -0.10 1.84 0.11 0.00 -1.77 0.00 0.00 62.75 62.83 1vpx n ILE 32 Cb 0.29 -2.33 0.33 0.00 -1.44 0.00 0.00 39.64 36.49 1vpx n ILE 32 CO 0.00 0.00 0.00 -1.28 -1.77 0.00 0.00 176.55 173.50 1vpx h SER 33 N 0.00 0.00 -0.97 7.28 0.87 -0.69 -2.46 113.55 117.57 1vpx h SER 33 Ca 0.18 0.00 0.29 0.00 -1.23 0.00 0.00 61.79 61.03 1vpx h SER 33 Cb 0.37 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.19 1vpx h SER 33 CO -0.74 0.15 0.49 0.50 -0.53 0.00 0.00 176.83 176.70 1vpx h LYS 34 N 0.00 0.33 0.00 2.24 1.63 0.10 -3.51 116.57 117.37 1vpx h LYS 34 Ca -0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1vpx h LYS 34 Cb 0.90 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1vpx h LYS 34 CO 0.02 0.22 0.00 -1.91 -3.45 0.00 0.00 179.45 174.33 1vpx n GLU 35 N -5.06 0.00 0.00 1.90 4.07 -0.93 -5.11 120.64 115.50 1vpx n GLU 35 Ca 0.28 0.26 0.00 0.00 -0.06 0.00 0.00 57.16 57.64 1vpx n GLU 35 Cb 0.87 -0.97 0.00 0.00 -0.06 0.00 0.00 31.44 31.28 1vpx n GLU 35 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1vpx n PHE 39 N -1.27 0.00 0.29 4.31 0.99 -1.26 -5.09 117.46 115.43 1vpx n PHE 39 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.55 1vpx n PHE 39 Cb 0.00 0.00 0.47 0.00 -1.00 0.00 0.00 39.48 38.95 1vpx n PHE 39 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1vpx h LYS 40 N 0.00 0.00 -0.90 -1.08 3.64 -2.01 1.01 116.57 117.23 1vpx h LYS 40 Ca 0.00 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1vpx h LYS 40 Cb 0.00 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.73 1vpx h LYS 40 CO 0.00 0.00 0.51 0.37 -2.27 0.00 0.00 179.45 178.06 1vpx h GLN 41 N 0.00 0.74 0.22 1.90 4.15 -2.04 0.46 115.11 120.53 1vpx h GLN 41 Ca 0.04 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1vpx h GLN 41 Cb 1.34 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.86 1vpx h GLN 41 CO -0.00 0.49 -0.10 -0.09 -1.93 0.00 0.00 178.83 177.19 1vpx h ARG 42 N 0.76 -0.28 -0.98 1.69 2.43 0.64 -2.37 114.38 116.26 1vpx h ARG 42 Ca 0.47 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.76 1vpx h ARG 42 Cb 0.59 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.12 1vpx h ARG 42 CO -0.32 0.04 0.63 -0.39 -1.51 0.00 0.00 179.97 178.42 1vpx h VAL 43 N -0.63 0.99 -0.31 0.20 -1.51 -1.20 0.14 116.25 113.94 1vpx h VAL 43 Ca -0.03 -0.36 -0.01 0.00 -1.23 0.00 0.00 66.70 65.07 1vpx h VAL 43 Cb 0.45 -0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 29.46 1vpx h VAL 43 CO 0.05 0.19 0.15 0.50 -1.23 0.00 0.00 177.57 177.23 1vpx h LYS 44 N 1.04 0.44 -0.70 5.19 3.64 -0.15 -1.13 116.57 124.91 1vpx h LYS 44 Ca 0.46 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.79 1vpx h LYS 44 Cb 0.35 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1vpx h LYS 44 CO -0.21 0.41 0.45 1.49 -2.27 0.00 0.00 179.45 179.32 1vpx h GLU 45 N 0.37 0.89 -0.43 1.90 4.81 -0.48 -1.79 114.58 119.85 1vpx h GLU 45 Ca 0.11 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1vpx h GLU 45 Cb 0.11 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1vpx h GLU 45 CO -0.01 0.59 0.00 0.82 -0.73 0.00 0.00 179.01 179.68 1vpx h ILE 46 N 0.91 1.26 -0.25 2.32 2.04 -1.00 -2.09 117.51 120.70 1vpx h ILE 46 Ca 0.26 -1.03 0.04 0.00 1.00 0.00 0.00 64.86 65.14 1vpx h ILE 46 Cb -0.06 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1vpx h ILE 46 CO -0.07 0.35 0.00 0.00 0.00 0.00 0.00 178.15 178.43 1vpx h ASP 48 N 0.08 0.00 0.00 0.00 5.19 -1.21 0.14 116.42 120.62 1vpx h ASP 48 Ca 0.12 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.49 1vpx h ASP 48 Cb 0.15 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1vpx h ASP 48 CO -0.20 0.17 -0.20 0.25 -3.12 0.00 0.00 179.24 176.14 1vpx h LEU 49 N 0.00 0.00 -0.01 1.55 5.85 -0.69 -3.37 115.31 118.63 1vpx h LEU 49 Ca -0.00 -0.89 -0.18 0.00 0.84 0.00 0.00 57.88 57.64 1vpx h LEU 49 Cb 0.36 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1vpx h LEU 49 CO 0.02 1.07 -0.87 -0.37 -0.34 0.00 0.00 178.44 177.95 1vpx h VAL 50 N -1.00 1.50 -6.57 1.05 -1.51 -0.88 -3.48 116.25 105.36 1vpx h VAL 50 Ca -0.06 -3.11 -0.51 0.00 -1.23 0.00 0.00 66.70 61.79 1vpx h VAL 50 Cb 1.02 2.74 -0.03 0.00 -2.13 0.00 0.00 31.29 32.89 1vpx h VAL 50 CO -0.03 0.85 -0.93 0.29 -1.23 0.00 0.00 177.57 176.52 1vpx n LYS 51 N -3.32 -1.90 -3.71 5.19 4.01 0.48 -4.83 118.16 114.07 1vpx n LYS 51 Ca 0.00 0.32 -0.05 0.00 -0.51 0.00 0.00 58.31 58.08 1vpx n LYS 51 Cb 0.88 -3.96 0.02 0.00 -0.51 0.00 0.00 35.03 31.47 1vpx n LYS 51 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vpx n GLY 52 N -2.00 0.76 3.67 0.72 0.00 -1.26 -5.01 105.19 102.08 1vpx n GLY 52 Ca -0.22 -1.17 -0.47 0.00 0.00 0.00 0.00 46.02 44.15 1vpx n GLY 52 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vpx n PRO 53 N -0.63 2.14 -4.00 1.61 -0.02 -1.24 -4.76 135.00 128.09 1vpx n PRO 53 Ca -0.04 0.78 -0.31 0.00 -2.02 0.00 0.00 63.50 61.90 1vpx n PRO 53 Cb 0.56 -2.58 -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 2.42 1.96 -0.02 -1.45 1.01 -0.33 -0.55 120.40 123.44 1vpx s VAL 54 Ca 0.86 -1.71 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 1vpx s VAL 54 Cb -0.69 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1vpx s VAL 54 CO 0.45 -0.24 0.82 -0.94 0.00 0.00 0.00 175.10 175.19 1vpx s SER 55 N 1.15 7.19 -0.01 3.32 1.04 -0.13 -0.57 113.70 125.69 1vpx s SER 55 Ca -0.02 1.43 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1vpx s SER 55 Cb -0.19 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1vpx s SER 55 CO -0.07 -0.14 -0.01 0.00 0.98 0.00 0.00 173.24 173.99 1vpx s ALA 56 N 0.69 0.16 0.26 5.32 0.00 0.21 -1.83 121.76 126.57 1vpx s ALA 56 Ca 0.43 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 1vpx s ALA 56 Cb -0.20 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 1vpx s ALA 56 CO 0.23 0.01 0.65 -1.83 0.00 0.00 0.00 175.76 174.82 1vpx s GLU 57 N 0.17 3.96 0.42 0.00 -1.05 -1.26 -0.85 118.70 120.09 1vpx s GLU 57 Ca -0.01 0.54 -0.02 0.00 -0.15 0.00 0.00 54.97 55.32 1vpx s GLU 57 Cb -0.03 -2.61 -0.03 0.00 -0.44 0.00 0.00 34.13 31.02 1vpx s GLU 57 CO -0.00 0.27 0.67 0.14 0.95 0.00 0.00 175.26 177.28 1vpx s VAL 58 N -1.82 4.92 -0.13 1.83 -7.23 -1.25 -4.91 120.40 111.81 1vpx s VAL 58 Ca 0.49 -0.17 -0.23 0.00 -1.81 0.00 0.00 61.98 60.25 1vpx s VAL 58 Cb -0.12 -3.83 -0.20 0.00 0.56 0.00 0.00 36.38 32.79 1vpx s VAL 58 CO 0.19 -0.67 0.64 0.58 -0.31 0.00 0.00 175.10 175.53 1vpx h VAL 59 N 0.48 1.40 -4.23 1.32 2.07 -1.96 -3.48 116.25 111.86 1vpx h VAL 59 Ca -0.48 -2.01 -0.50 0.00 0.82 0.00 0.00 66.70 64.52 1vpx h VAL 59 Cb 1.22 2.63 0.09 0.00 -1.52 0.00 0.00 31.29 33.71 1vpx h VAL 59 CO 0.61 0.47 0.37 -0.44 0.02 0.00 0.00 177.57 178.60 1vpx s SER 60 N -6.05 5.28 -0.00 0.57 0.01 -1.26 -4.99 113.70 107.26 1vpx s SER 60 Ca -0.15 1.88 0.03 0.00 1.31 0.00 0.00 55.95 59.01 1vpx s SER 60 Cb -0.02 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 1vpx s SER 60 CO 0.55 -1.51 0.11 0.18 0.41 0.00 0.00 173.24 172.97 1vpx n LEU 61 N -2.51 0.12 -4.82 2.44 4.77 -1.26 -4.55 117.00 111.18 1vpx n LEU 61 Ca 0.09 -0.47 -0.33 0.00 -0.03 0.00 0.00 56.01 55.27 1vpx n LEU 61 Cb 0.53 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1vpx n LEU 61 CO 0.49 0.03 0.65 1.51 -1.33 0.00 0.00 177.39 178.74 1vpx s ASP 62 N -1.30 6.88 0.15 -1.43 -4.77 -1.26 -4.73 116.67 110.21 1vpx s ASP 62 Ca 0.01 1.66 -0.22 0.00 -3.30 0.00 0.00 52.55 50.71 1vpx s ASP 62 Cb 0.02 -2.53 0.05 0.00 -1.09 0.00 0.00 42.92 39.36 1vpx s ASP 62 CO 0.11 -0.40 1.63 0.22 0.70 0.00 0.00 175.17 177.42 1vpx h TYR 63 N 1.72 -0.61 -0.25 2.11 3.20 -1.95 0.02 116.97 121.20 1vpx h TYR 63 Ca -0.49 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 1vpx h TYR 63 Cb 1.18 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.75 1vpx h TYR 63 CO 0.62 -0.31 0.12 0.93 -1.64 0.00 0.00 178.16 177.89 1vpx h GLU 64 N -0.22 0.36 -0.60 1.82 3.07 -1.94 -1.90 114.58 115.17 1vpx h GLU 64 Ca 0.15 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 1vpx h GLU 64 Cb 0.45 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 1vpx h GLU 64 CO -0.41 0.35 0.30 0.78 -1.40 0.00 0.00 179.01 178.63 1vpx h GLY 65 N 0.28 0.92 0.99 -3.84 0.00 -1.91 -1.28 103.07 98.23 1vpx h GLY 65 Ca 0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1vpx h GLY 65 CO -0.01 0.42 0.34 -0.33 0.00 0.00 0.00 176.54 176.96 1vpx h MET 66 N 0.82 0.84 -0.15 4.80 2.86 -0.80 -1.46 114.93 121.84 1vpx h MET 66 Ca 0.21 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1vpx h MET 66 Cb 0.10 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1vpx h MET 66 CO -0.03 0.63 0.01 0.28 1.06 0.00 0.00 176.91 178.86 1vpx h VAL 67 N 0.82 1.25 -0.37 -2.22 2.07 -1.24 -0.16 116.25 116.40 1vpx h VAL 67 Ca 0.21 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 67.01 1vpx h VAL 67 Cb 0.03 1.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 1vpx h VAL 67 CO -0.04 0.24 -0.22 -0.09 0.02 0.00 0.00 177.57 177.48 1vpx h ARG 68 N 0.00 -0.15 -0.32 1.57 2.43 -1.14 -1.76 114.38 115.00 1vpx h ARG 68 Ca 0.04 0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 1vpx h ARG 68 Cb 0.35 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1vpx h ARG 68 CO 0.01 -0.10 -0.47 0.93 -1.51 0.00 0.00 179.97 178.82 1vpx h GLU 69 N -0.16 0.87 -0.62 0.20 5.08 -1.20 -2.85 114.58 115.91 1vpx h GLU 69 Ca 0.18 -0.51 0.07 0.00 -1.00 0.00 0.00 59.36 58.11 1vpx h GLU 69 Cb 0.44 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 1vpx h GLU 69 CO -0.47 1.15 0.30 0.00 -1.00 0.00 0.00 179.01 178.99 1vpx h ALA 70 N 0.76 0.82 -0.81 3.43 0.00 -0.83 0.87 119.26 123.51 1vpx h ALA 70 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1vpx h ALA 70 Cb 1.07 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1vpx h ALA 70 CO 0.11 -0.07 0.46 0.00 0.00 0.00 0.00 179.25 179.76 1vpx h ARG 71 N 0.55 1.11 -0.15 0.00 3.08 -1.22 0.52 114.38 118.28 1vpx h ARG 71 Ca 0.29 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1vpx h ARG 71 Cb 0.25 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1vpx h ARG 71 CO -0.22 0.80 -0.00 1.49 -1.07 0.00 0.00 179.97 180.97 1vpx h GLU 72 N 1.12 0.26 -0.43 0.04 4.57 -1.13 -2.96 114.58 116.04 1vpx h GLU 72 Ca 0.29 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.32 1vpx h GLU 72 Cb -0.00 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1vpx h GLU 72 CO -0.05 0.49 0.01 -0.07 -1.18 0.00 0.00 179.01 178.21 1vpx h LEU 73 N -0.00 0.66 -1.57 1.64 3.38 -0.65 -2.75 115.31 116.02 1vpx h LEU 73 Ca 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1vpx h LEU 73 Cb 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1vpx h LEU 73 CO 0.01 0.72 0.10 0.00 0.09 0.00 0.00 178.44 179.36 1vpx h ALA 74 N 1.36 1.67 0.00 1.53 0.00 -0.83 -2.20 119.26 120.79 1vpx h ALA 74 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1vpx h ALA 74 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1vpx h ALA 74 CO 0.01 0.27 0.00 1.96 0.00 0.00 0.00 179.25 181.49 1vpx h GLN 75 N 0.39 0.00 -0.48 0.00 4.20 -1.32 -3.11 115.11 114.80 1vpx h GLN 75 Ca 0.10 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 1vpx h GLN 75 Cb 0.09 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1vpx h GLN 75 CO -0.01 0.00 -0.17 0.82 -0.67 0.00 0.00 178.83 178.80 1vpx h ILE 76 N 0.00 1.27 -1.82 2.54 2.04 -1.50 -3.47 117.51 116.58 1vpx h ILE 76 Ca 0.00 -1.31 0.07 0.00 1.00 0.00 0.00 64.86 64.63 1vpx h ILE 76 Cb 0.29 1.07 -0.20 0.00 -0.74 0.00 0.00 36.82 37.24 1vpx h ILE 76 CO 0.00 0.45 0.49 -0.55 0.00 0.00 0.00 178.15 178.54 1vpx s SER 77 N -6.70 -0.40 0.58 1.72 0.15 -1.17 -4.95 113.70 102.92 1vpx s SER 77 Ca -0.11 0.32 0.33 0.00 0.70 0.00 0.00 55.95 57.20 1vpx s SER 77 Cb 0.13 0.35 1.81 0.00 -1.71 0.00 0.00 66.02 66.61 1vpx s SER 77 CO 0.85 -0.45 2.20 -0.08 1.20 0.00 0.00 173.24 176.96 1vpx h GLU 78 N 2.45 0.00 0.00 5.44 4.22 -1.91 -2.86 114.58 121.92 1vpx h GLU 78 Ca -0.20 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.24 1vpx h GLU 78 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1vpx h GLU 78 CO 0.32 0.04 -0.28 2.48 -2.18 0.00 0.00 179.01 179.39 1vpx n TYR 79 N -3.51 0.35 -2.11 0.92 0.18 -1.26 -4.89 117.16 106.83 1vpx n TYR 79 Ca -0.02 0.10 -0.41 0.00 1.88 0.00 0.00 57.90 59.44 1vpx n TYR 79 Cb 0.15 -0.58 -0.03 0.00 -0.38 0.00 0.00 39.34 38.51 1vpx n TYR 79 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1vpx s VAL 80 N -3.06 2.95 -0.06 -3.48 0.11 -1.08 -1.19 120.40 114.58 1vpx s VAL 80 Ca 0.11 0.77 0.06 0.00 -2.93 0.00 0.00 61.98 59.98 1vpx s VAL 80 Cb 0.16 -3.49 -0.01 0.00 -1.53 0.00 0.00 36.38 31.51 1vpx s VAL 80 CO 0.64 0.11 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.58 1vpx s VAL 81 N 0.29 2.01 -0.24 2.04 1.01 0.26 -4.63 120.40 121.15 1vpx s VAL 81 Ca 0.60 -1.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 1vpx s VAL 81 Cb -0.39 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1vpx s VAL 81 CO 0.38 0.56 0.47 -0.63 0.00 0.00 0.00 175.10 175.88 1vpx s ILE 82 N -0.06 5.12 -0.11 2.22 1.01 -0.46 -0.62 121.20 128.30 1vpx s ILE 82 Ca -0.06 0.82 -0.30 0.00 0.00 0.00 0.00 60.65 61.11 1vpx s ILE 82 Cb -0.14 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1vpx s ILE 82 CO 0.04 0.15 1.22 -0.75 0.00 0.00 0.00 174.94 175.61 1vpx s LYS 83 N 1.91 4.29 -0.08 2.79 2.20 -0.03 -0.40 119.74 130.42 1vpx s LYS 83 Ca 0.20 1.66 0.03 0.00 -0.36 0.00 0.00 55.97 57.51 1vpx s LYS 83 Cb -0.15 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 1vpx s LYS 83 CO 0.09 -0.57 -0.19 0.42 -0.36 0.00 0.00 175.35 174.73 1vpx s ILE 84 N 2.84 1.69 0.47 5.43 -1.09 -0.16 -3.78 121.20 126.60 1vpx s ILE 84 Ca 0.55 -0.81 -0.21 0.00 -2.23 0.00 0.00 60.65 57.95 1vpx s ILE 84 Cb -0.23 -1.48 -0.08 0.00 -1.58 0.00 0.00 42.46 39.08 1vpx s ILE 84 CO 0.18 0.48 1.06 -2.16 -1.23 0.00 0.00 174.94 173.27 1vpx s PRO 85 N 0.43 3.84 -0.95 2.79 0.04 -1.26 -0.76 135.00 139.13 1vpx s PRO 85 Ca -0.16 1.44 -0.24 0.00 0.04 0.00 0.00 61.00 62.08 1vpx s PRO 85 Cb -0.17 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1vpx s PRO 85 CO 0.07 -0.41 1.87 1.41 0.04 0.00 0.00 177.00 179.98 1vpx s MET 86 N -3.03 2.72 0.17 4.56 1.75 -0.31 -4.41 119.30 120.75 1vpx s MET 86 Ca 0.65 -0.52 -0.01 0.00 -1.25 0.00 0.00 55.69 54.56 1vpx s MET 86 Cb -0.19 -5.13 -0.04 0.00 2.84 0.00 0.00 34.83 32.31 1vpx s MET 86 CO 0.23 -3.25 0.11 0.95 -0.65 0.00 0.00 175.02 172.41 1vpx s THR 87 N 9.34 0.05 0.16 10.11 -4.23 -1.26 -5.01 115.64 124.81 1vpx s THR 87 Ca 0.66 -1.94 -0.23 0.00 -1.18 0.00 0.00 61.69 59.01 1vpx s THR 87 Cb -0.05 -2.28 0.06 0.00 1.34 0.00 0.00 72.50 71.57 1vpx s THR 87 CO -0.01 -0.21 1.60 -0.65 -0.54 0.00 0.00 174.62 174.81 1vpx h PRO 88 N 2.72 -0.24 -0.84 3.99 0.11 -1.99 0.11 132.00 135.86 1vpx h PRO 88 Ca -0.35 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.79 1vpx h PRO 88 Cb 1.23 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 1vpx h PRO 88 CO 0.55 -0.16 0.55 -0.44 -0.21 0.00 0.00 178.00 178.30 1vpx h ASP 89 N -0.24 0.94 -0.95 -2.05 5.19 -1.94 -0.76 116.42 116.60 1vpx h ASP 89 Ca 0.17 -0.02 0.05 0.00 -0.62 0.00 0.00 57.03 56.62 1vpx h ASP 89 Cb 0.53 -0.23 -0.06 0.00 0.18 0.00 0.00 39.33 39.75 1vpx h ASP 89 CO -0.52 0.67 0.61 1.23 -3.12 0.00 0.00 179.24 178.11 1vpx h GLY 90 N 1.11 1.42 1.18 2.75 0.00 -1.64 0.11 103.07 108.00 1vpx h GLY 90 Ca 0.32 -0.45 -0.18 0.00 0.00 0.00 0.00 47.33 47.02 1vpx h GLY 90 CO -0.09 0.34 -0.51 -2.22 0.00 0.00 0.00 176.54 174.06 1vpx h ILE 91 N 1.14 1.28 -0.58 2.60 1.08 -0.44 -1.37 117.51 121.22 1vpx h ILE 91 Ca 0.40 -1.70 0.02 0.00 -0.39 0.00 0.00 64.86 63.19 1vpx h ILE 91 Cb 0.11 1.58 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 1vpx h ILE 91 CO -0.16 0.56 0.37 0.50 -0.69 0.00 0.00 178.15 178.73 1vpx h LYS 92 N 0.67 0.72 -0.77 2.37 3.64 -0.81 -1.74 116.57 120.66 1vpx h LYS 92 Ca 0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1vpx h LYS 92 Cb 1.11 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.74 1vpx h LYS 92 CO 0.11 0.47 0.46 0.00 -2.27 0.00 0.00 179.45 178.23 1vpx h ALA 93 N 1.23 0.98 -0.62 5.00 0.00 -0.60 -2.49 119.26 122.77 1vpx h ALA 93 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1vpx h ALA 93 Cb -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1vpx h ALA 93 CO -0.07 0.45 0.40 0.28 0.00 0.00 0.00 179.25 180.30 1vpx h VAL 94 N 1.05 1.17 -0.26 0.00 2.07 -0.91 0.13 116.25 119.49 1vpx h VAL 94 Ca 0.27 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1vpx h VAL 94 Cb -0.03 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1vpx h VAL 94 CO -0.05 0.17 0.10 0.50 0.02 0.00 0.00 177.57 178.30 1vpx h LYS 95 N 0.84 0.22 -0.00 1.57 3.64 -0.94 0.18 116.57 122.08 1vpx h LYS 95 Ca 0.22 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1vpx h LYS 95 Cb -0.07 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1vpx h LYS 95 CO -0.05 0.14 0.00 1.15 -2.27 0.00 0.00 179.45 178.43 1vpx h THR 96 N 0.22 1.12 -0.42 1.00 2.02 -1.10 -2.74 112.91 113.02 1vpx h THR 96 Ca 0.11 -0.36 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 1vpx h THR 96 Cb 0.07 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1vpx h THR 96 CO -0.11 0.09 -0.19 -0.07 0.37 0.00 0.00 175.52 175.61 1vpx h LEU 97 N -0.15 0.82 -0.46 2.58 3.38 -0.62 -2.73 115.31 118.12 1vpx h LEU 97 Ca 0.00 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1vpx h LEU 97 Cb 0.16 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1vpx h LEU 97 CO -0.00 0.99 0.19 0.28 0.09 0.00 0.00 178.44 179.99 1vpx h SER 98 N 0.71 0.23 -0.04 -0.43 0.02 -0.97 -0.27 113.55 112.80 1vpx h SER 98 Ca 0.10 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1vpx h SER 98 Cb 0.70 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 1vpx h SER 98 CO 0.05 0.16 0.03 0.00 -1.14 0.00 0.00 176.83 175.94 1vpx h ALA 99 N 1.29 1.77 -0.56 3.77 0.00 -1.23 -1.74 119.26 122.55 1vpx h ALA 99 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1vpx h ALA 99 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1vpx h ALA 99 CO -0.19 -0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.40 1vpx n GLU 100 N -4.13 2.32 -1.20 0.00 1.02 -0.72 -4.94 120.64 112.99 1vpx n GLU 100 Ca -0.02 -2.05 -0.07 0.00 -0.02 0.00 0.00 57.16 55.00 1vpx n GLU 100 Cb 0.12 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 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 1.41 0.89 3.64 0.62 0.00 -0.65 -5.00 105.19 106.09 1vpx n GLY 101 Ca 0.19 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.20 5.14 0.33 -0.61 1.01 -0.19 -5.01 121.20 119.67 1vpx s ILE 102 Ca 0.00 0.77 -0.27 0.00 0.00 0.00 0.00 60.65 61.16 1vpx s ILE 102 Cb 0.00 -3.77 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 1vpx s ILE 102 CO 0.00 0.18 1.02 -0.54 0.00 0.00 0.00 174.94 175.60 1vpx s LYS 103 N 1.77 4.47 0.05 2.79 1.02 -1.26 -3.80 119.74 124.79 1vpx s LYS 103 Ca 0.20 1.54 0.04 0.00 0.02 0.00 0.00 55.97 57.77 1vpx s LYS 103 Cb -0.15 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 1vpx s LYS 103 CO 0.09 0.13 -0.12 0.95 -0.92 0.00 0.00 175.35 175.48 1vpx s THR 104 N -1.46 0.92 -0.26 2.17 -4.23 -1.26 -1.35 115.64 110.17 1vpx s THR 104 Ca 0.50 -1.15 -0.01 0.00 -1.18 0.00 0.00 61.69 59.86 1vpx s THR 104 Cb -0.24 -0.90 0.08 0.00 1.34 0.00 0.00 72.50 72.78 1vpx s THR 104 CO 0.31 -0.22 0.03 0.21 -0.54 0.00 0.00 174.62 174.41 1vpx s ASN 105 N -1.54 3.73 -0.15 3.99 2.47 0.46 -0.85 114.94 123.05 1vpx s ASN 105 Ca -0.04 -1.32 -0.29 0.00 0.42 0.00 0.00 52.86 51.63 1vpx s ASN 105 Cb -0.09 -0.93 -0.00 0.00 -1.45 0.00 0.00 41.25 38.77 1vpx s ASN 105 CO 0.01 -0.33 1.02 -0.69 -3.72 0.00 0.00 177.10 173.39 1vpx s VAL 106 N 1.57 4.75 0.50 -5.21 1.01 -0.35 -0.99 120.40 121.67 1vpx s VAL 106 Ca 0.03 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.08 1vpx s VAL 106 Cb -0.18 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 1vpx s VAL 106 CO -0.14 -0.06 0.11 0.42 0.00 0.00 0.00 175.10 175.42 1vpx s THR 107 N 2.44 1.45 -1.31 3.92 -4.23 0.06 -0.28 115.64 117.69 1vpx s THR 107 Ca 0.47 -1.86 -0.05 0.00 -1.18 0.00 0.00 61.69 59.07 1vpx s THR 107 Cb -0.17 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.37 1vpx s THR 107 CO 0.14 0.00 1.02 0.18 -0.54 0.00 0.00 174.62 175.42 1vpx n LEU 108 N -1.34 -3.52 -4.65 4.79 4.77 -1.25 -1.16 117.00 114.64 1vpx n LEU 108 Ca -0.12 -0.64 -0.37 0.00 -0.03 0.00 0.00 56.01 54.85 1vpx n LEU 108 Cb 0.66 -2.97 -0.10 0.00 -2.33 0.00 0.00 43.42 38.68 1vpx n LEU 108 CO 0.40 0.49 -0.18 -0.69 -1.33 0.00 0.00 177.39 176.08 1vpx s VAL 109 N -3.38 5.32 0.00 4.08 1.01 -1.20 -4.54 120.40 121.68 1vpx s VAL 109 Ca 0.28 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1vpx s VAL 109 Cb -0.13 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1vpx s VAL 109 CO 0.75 0.34 0.55 0.49 0.00 0.00 0.00 175.10 177.23 1vpx n PHE 110 N 4.37 0.00 -3.82 5.22 3.72 -1.26 -1.40 117.46 124.29 1vpx n PHE 110 Ca -0.15 -0.14 -0.12 0.00 -0.05 0.00 0.00 57.45 56.99 1vpx n PHE 110 Cb 0.52 -0.01 -0.09 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 -0.28 -0.08 0.54 4.37 1.04 -1.26 -5.03 113.70 113.00 1vpx s SER 111 Ca 0.00 -0.08 0.20 0.00 0.48 0.00 0.00 55.95 56.55 1vpx s SER 111 Cb 0.00 0.26 1.41 0.00 0.10 0.00 0.00 66.02 67.79 1vpx s SER 111 CO 0.00 -0.42 2.17 1.55 0.98 0.00 0.00 173.24 177.52 1vpx h PRO 112 N 4.02 0.00 -0.30 4.02 0.13 -1.96 -2.57 132.00 135.33 1vpx h PRO 112 Ca -0.30 0.00 -0.02 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 32.30 1vpx h PRO 112 CO 0.41 0.00 0.11 0.00 -0.23 0.00 0.00 178.00 178.29 1vpx h ALA 113 N 1.99 0.39 -0.52 -0.56 0.00 -1.99 -1.69 119.26 116.88 1vpx h ALA 113 Ca 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1vpx h ALA 113 Cb 0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1vpx h ALA 113 CO -0.00 0.00 0.27 1.96 0.00 0.00 0.00 179.25 181.48 1vpx h GLN 114 N 0.34 0.51 -0.15 0.00 4.20 -1.92 -2.63 115.11 115.45 1vpx h GLN 114 Ca 0.10 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1vpx h GLN 114 Cb 0.20 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1vpx h GLN 114 CO -0.01 0.34 0.02 0.00 -0.67 0.00 0.00 178.83 178.51 1vpx h ALA 115 N 1.27 1.76 -0.15 3.87 0.00 -1.12 -1.31 119.26 123.59 1vpx h ALA 115 Ca 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1vpx h ALA 115 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1vpx h ALA 115 CO -0.15 0.19 -0.01 0.82 0.00 0.00 0.00 179.25 180.09 1vpx h ILE 116 N 0.21 1.27 -0.88 0.00 2.04 -0.97 -2.40 117.51 116.77 1vpx h ILE 116 Ca 0.05 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1vpx h ILE 116 Cb 0.11 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1vpx h ILE 116 CO -0.00 0.26 0.51 -0.07 0.00 0.00 0.00 178.15 178.85 1vpx h LEU 117 N -0.01 1.07 -0.20 1.44 3.38 -1.09 -0.43 115.31 119.48 1vpx h LEU 117 Ca 0.04 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1vpx h LEU 117 Cb 0.40 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1vpx h LEU 117 CO 0.01 0.84 0.07 0.00 0.09 0.00 0.00 178.44 179.44 1vpx h ALA 118 N 1.28 0.22 -0.43 1.53 0.00 -1.22 -0.67 119.26 119.96 1vpx h ALA 118 Ca 0.31 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1vpx h ALA 118 Cb -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1vpx h ALA 118 CO -0.06 -0.36 0.19 0.00 0.00 0.00 0.00 179.25 179.02 1vpx h ALA 119 N 1.12 0.56 -0.42 0.00 0.00 -1.10 -2.05 119.26 117.38 1vpx h ALA 119 Ca 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1vpx h ALA 119 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1vpx h ALA 119 CO -0.09 0.15 0.12 0.87 0.00 0.00 0.00 179.25 180.30 1vpx h LYS 120 N 0.55 0.61 0.00 0.00 1.57 -0.86 -1.46 116.57 116.98 1vpx h LYS 120 Ca 0.15 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1vpx h LYS 120 Cb 0.17 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1vpx h LYS 120 CO -0.01 0.54 0.00 0.00 -0.57 0.00 0.00 179.45 179.40 1vpx h ALA 121 N 1.54 1.00 0.00 3.86 0.00 -0.92 -3.47 119.26 121.28 1vpx h ALA 121 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1vpx h ALA 121 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1vpx h ALA 121 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1vpx n GLY 122 N 0.42 1.43 3.73 0.00 0.00 -0.55 -3.70 105.19 106.53 1vpx n GLY 122 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.43 1.56 -0.03 4.61 0.00 -0.79 -4.84 120.51 119.59 1vpx n ALA 123 Ca 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 53.44 53.46 1vpx n ALA 123 Cb 0.00 -2.33 -0.08 0.00 0.00 0.00 0.00 19.45 17.04 1vpx n ALA 123 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1vpx h THR 124 N 1.70 1.35 -3.93 0.00 2.02 -1.66 -3.35 112.91 109.04 1vpx h THR 124 Ca -0.50 -1.80 -0.25 0.00 0.77 0.00 0.00 66.41 64.63 1vpx h THR 124 Cb 1.30 2.10 -0.19 0.00 -1.74 0.00 0.00 68.15 69.62 1vpx h THR 124 CO 0.58 0.55 -0.72 -0.31 0.37 0.00 0.00 175.52 175.99 1vpx s TYR 125 N -3.76 0.72 0.05 3.16 2.02 -0.03 -1.29 117.35 118.22 1vpx s TYR 125 Ca -0.12 -0.66 0.08 0.00 -0.37 0.00 0.00 57.07 56.00 1vpx s TYR 125 Cb 0.06 -0.43 -0.03 0.00 -0.40 0.00 0.00 41.96 41.17 1vpx s TYR 125 CO 0.84 -0.12 -0.24 0.14 -1.57 0.00 0.00 175.55 174.60 1vpx s VAL 126 N -2.23 1.92 -0.49 0.71 -7.23 -0.43 -1.21 120.40 111.43 1vpx s VAL 126 Ca -0.02 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1vpx s VAL 126 Cb -0.04 -1.66 0.13 0.00 0.56 0.00 0.00 36.38 35.37 1vpx s VAL 126 CO -0.02 0.25 0.25 -0.44 -0.31 0.00 0.00 175.10 174.84 1vpx s SER 127 N -1.30 4.07 0.21 4.85 0.01 0.62 -0.03 113.70 122.12 1vpx s SER 127 Ca 0.10 -2.87 -0.30 0.00 1.31 0.00 0.00 55.95 54.19 1vpx s SER 127 Cb -0.09 -1.41 -0.09 0.00 0.21 0.00 0.00 66.02 64.63 1vpx s SER 127 CO 0.02 -0.24 1.33 -2.84 0.41 0.00 0.00 173.24 171.92 1vpx s PRO 128 N -0.05 4.37 -0.86 12.44 0.02 -1.22 -3.25 135.00 146.46 1vpx s PRO 128 Ca 0.17 2.10 -0.17 0.00 0.02 0.00 0.00 61.00 63.12 1vpx s PRO 128 Cb -0.25 -3.18 0.15 0.00 0.02 0.00 0.00 34.50 31.24 1vpx s PRO 128 CO 0.00 -0.27 0.97 -0.06 -0.33 0.00 0.00 177.00 177.31 1vpx s PHE 129 N 0.03 3.29 0.01 6.54 0.40 -0.50 -1.32 117.98 126.43 1vpx s PHE 129 Ca 0.57 -1.51 -0.26 0.00 -0.60 0.00 0.00 56.93 55.13 1vpx s PHE 129 Cb -0.37 -4.11 -0.14 0.00 0.51 0.00 0.00 43.02 38.90 1vpx s PHE 129 CO 0.40 -1.32 1.08 0.28 0.70 0.00 0.00 175.22 176.35 1vpx h VAL 130 N 5.52 0.08 -0.92 -0.44 2.07 -1.45 -3.09 116.25 118.01 1vpx h VAL 130 Ca 0.08 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.31 1vpx h VAL 130 Cb 1.04 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 1vpx h VAL 130 CO 1.00 0.01 0.60 1.23 0.02 0.00 0.00 177.57 180.43 1vpx h GLY 131 N -1.19 1.36 1.25 2.17 0.00 -0.79 -0.43 103.07 105.44 1vpx h GLY 131 Ca -0.09 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.70 1vpx h GLY 131 CO 0.15 0.32 -0.17 3.21 0.00 0.00 0.00 176.54 180.04 1vpx h ARG 132 N 1.07 0.87 -0.31 4.80 3.08 -1.77 -2.15 114.38 119.96 1vpx h ARG 132 Ca 0.40 -0.33 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 1vpx h ARG 132 Cb 0.18 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1vpx h ARG 132 CO -0.15 0.97 -0.42 0.52 -1.07 0.00 0.00 179.97 179.83 1vpx h MET 133 N 0.77 0.78 -0.98 0.04 2.86 -1.32 -3.08 114.93 114.00 1vpx h MET 133 Ca 0.11 -0.42 0.10 0.00 -2.06 0.00 0.00 59.70 57.43 1vpx h MET 133 Cb 0.70 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.30 1vpx h MET 133 CO 0.05 1.05 0.62 -0.44 1.06 0.00 0.00 176.91 179.25 1vpx h ASP 134 N 0.63 0.94 1.22 1.22 5.19 -0.88 -2.33 116.42 122.42 1vpx h ASP 134 Ca 0.05 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1vpx h ASP 134 Cb 0.98 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.33 1vpx h ASP 134 CO 0.09 0.55 0.00 0.44 -3.12 0.00 0.00 179.24 177.20 1vpx h ASP 135 N 1.04 0.00 0.43 6.45 5.19 -1.31 0.57 116.42 128.80 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 0.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.86 1vpx h ASP 135 CO -0.23 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.07 1vpx n LEU 136 N -2.75 0.00 -2.17 1.55 4.77 -0.90 -4.92 117.00 112.59 1vpx n LEU 136 Ca 0.02 0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 1vpx n LEU 136 Cb 0.35 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1vpx n LEU 136 CO 0.27 -0.01 -0.24 -1.54 -1.33 0.00 0.00 177.39 174.55 1vpx n SER 137 N -1.22 -5.59 -1.23 -1.43 3.41 0.19 -4.88 113.62 102.87 1vpx n SER 137 Ca 0.16 0.14 0.12 0.00 -0.26 0.00 0.00 58.87 59.03 1vpx n SER 137 Cb 0.20 -4.74 0.26 0.00 -0.26 0.00 0.00 64.21 59.68 1vpx n SER 137 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1vpx n ASN 138 N -1.79 3.62 -2.31 4.04 5.03 -1.10 -5.03 115.26 117.71 1vpx n ASN 138 Ca -0.23 -1.99 -0.02 0.00 0.87 0.00 0.00 54.58 53.21 1vpx n ASN 138 Cb 0.67 -0.34 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 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 1.54 -5.88 0.18 6.41 -0.08 -1.24 -4.84 116.55 112.64 1vpx n ASP 139 Ca 0.21 0.75 0.04 0.00 -1.51 0.00 0.00 54.79 54.28 1vpx n ASP 139 Cb 0.61 -3.81 0.33 0.00 2.34 0.00 0.00 41.12 40.58 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 1.76 0.00 2.00 0.27 0.00 -1.74 -2.95 103.07 102.41 1vpx h GLY 140 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1vpx h GLY 140 CO 0.08 0.00 -0.50 1.98 0.00 0.00 0.00 176.54 178.10 1vpx h MET 141 N 0.00 0.00 -0.32 4.80 1.85 -1.93 -1.54 114.93 117.79 1vpx h MET 141 Ca -0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.04 1vpx h MET 141 Cb 0.86 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.88 1vpx h MET 141 CO 0.05 0.50 0.03 -0.09 -0.40 0.00 0.00 176.91 177.01 1vpx h ARG 142 N 0.00 0.55 -0.76 0.39 2.43 -1.88 -1.24 114.38 113.88 1vpx h ARG 142 Ca -0.01 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 1vpx h ARG 142 Cb 0.96 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 1vpx h ARG 142 CO 0.07 0.65 0.33 1.98 -1.51 0.00 0.00 179.97 181.49 1vpx h MET 143 N 0.37 1.12 -0.59 0.20 4.05 -1.36 -0.72 114.93 118.00 1vpx h MET 143 Ca 0.10 -0.19 -0.06 0.00 -0.28 0.00 0.00 59.70 59.27 1vpx h MET 143 Cb 0.38 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1vpx h MET 143 CO 0.01 0.90 0.15 1.25 0.23 0.00 0.00 176.91 179.45 1vpx h LEU 144 N 1.08 0.89 -1.47 3.39 5.85 -1.24 -2.55 115.31 121.26 1vpx h LEU 144 Ca 0.26 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1vpx h LEU 144 Cb 0.18 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1vpx h LEU 144 CO -0.03 0.89 0.20 1.23 -0.34 0.00 0.00 178.44 180.39 1vpx h GLY 145 N 0.85 0.60 1.13 3.75 0.00 -0.60 -1.16 103.07 107.64 1vpx h GLY 145 Ca 0.19 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 47.09 1vpx h GLY 145 CO 0.00 0.25 -0.42 0.83 0.00 0.00 0.00 176.54 177.20 1vpx h GLU 146 N 0.56 0.92 -0.33 4.80 5.08 -0.89 -1.70 114.58 123.02 1vpx h GLU 146 Ca 0.14 -0.51 -0.07 0.00 -1.00 0.00 0.00 59.36 57.92 1vpx h GLU 146 Cb 0.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1vpx h GLU 146 CO -0.02 1.16 -0.07 0.82 -1.00 0.00 0.00 179.01 179.90 1vpx h ILE 147 N 0.74 1.28 -0.60 3.13 2.04 -1.16 -1.14 117.51 121.80 1vpx h ILE 147 Ca 0.05 -1.12 0.05 0.00 1.00 0.00 0.00 64.86 64.85 1vpx h ILE 147 Cb 1.02 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 1vpx h ILE 147 CO 0.10 0.36 0.32 0.58 0.00 0.00 0.00 178.15 179.51 1vpx h VAL 148 N 0.41 0.96 -0.28 1.67 2.07 -1.21 0.34 116.25 120.22 1vpx h VAL 148 Ca 0.08 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1vpx h VAL 148 Cb 0.56 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1vpx h VAL 148 CO 0.03 0.11 0.17 -0.08 0.02 0.00 0.00 177.57 177.82 1vpx h GLU 149 N 0.61 0.37 -0.40 1.57 4.57 -1.07 -0.57 114.58 119.65 1vpx h GLU 149 Ca 0.27 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.38 1vpx h GLU 149 Cb 0.16 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1vpx h GLU 149 CO -0.17 0.28 0.11 0.82 -1.18 0.00 0.00 179.01 178.87 1vpx h ILE 150 N 0.35 1.22 -0.11 2.32 2.04 -0.90 -1.06 117.51 121.38 1vpx h ILE 150 Ca 0.10 -0.75 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 1vpx h ILE 150 Cb 0.00 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1vpx h ILE 150 CO -0.02 0.26 -0.32 1.88 0.00 0.00 0.00 178.15 179.96 1vpx h TYR 151 N 0.51 0.24 -0.46 1.37 -1.99 -0.81 -2.09 116.97 113.73 1vpx h TYR 151 Ca 0.13 -0.05 -0.09 0.00 2.00 0.00 0.00 58.73 60.72 1vpx h TYR 151 Cb 0.29 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 1vpx h TYR 151 CO 0.01 0.51 -0.06 -0.91 -0.00 0.00 0.00 178.16 177.71 1vpx h ASN 152 N 0.19 0.79 -0.24 3.88 2.35 -0.76 0.48 115.58 122.26 1vpx h ASN 152 Ca 0.03 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.52 1vpx h ASN 152 Cb 0.66 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1vpx h ASN 152 CO 0.05 0.89 0.04 0.78 -1.65 0.00 0.00 177.43 177.53 1vpx h ASN 153 N 0.74 0.46 -0.00 5.81 2.35 -0.50 -3.28 115.58 121.16 1vpx h ASN 153 Ca 0.13 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1vpx h ASN 153 Cb 0.54 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1vpx h ASN 153 CO 0.03 0.51 -0.22 -1.22 -1.65 0.00 0.00 177.43 174.88 1vpx n TYR 154 N -4.31 0.00 -3.89 1.19 4.01 -1.05 -5.01 117.16 108.09 1vpx n TYR 154 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.46 1vpx n TYR 154 Cb 0.21 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.27 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 0.94 -0.49 3.66 2.72 0.00 0.15 -4.92 105.19 107.25 1vpx n GLY 155 Ca 0.02 0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.70 1.92 0.22 1.61 3.72 -1.23 -4.87 117.46 114.13 1vpx n PHE 156 Ca 0.03 0.58 0.07 0.00 -0.05 0.00 0.00 57.45 58.08 1vpx n PHE 156 Cb 0.53 -2.37 0.50 0.00 -0.94 0.00 0.00 39.48 37.20 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 2.80 0.00 -6.43 -1.08 4.39 -1.91 -3.44 114.58 108.91 1vpx h GLU 157 Ca -0.44 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.64 1vpx h GLU 157 Cb 1.30 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 30.03 1vpx h GLU 157 CO 0.65 0.26 0.38 2.41 -1.16 0.00 0.00 179.01 181.54 1vpx n THR 158 N -3.86 0.99 -4.22 1.13 -1.04 -1.26 -4.97 114.28 101.05 1vpx n THR 158 Ca -0.02 -0.25 -0.34 0.00 -2.04 0.00 0.00 64.05 61.40 1vpx n THR 158 Cb 0.34 -1.07 -0.08 0.00 -1.82 0.00 0.00 70.33 67.71 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 -0.47 3.04 -0.17 -2.82 2.02 -0.41 -4.94 118.70 114.94 1vpx s GLU 159 Ca 0.70 -0.43 -0.18 0.00 0.02 0.00 0.00 54.97 55.09 1vpx s GLU 159 Cb -0.77 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 1vpx s GLU 159 CO 0.52 0.68 0.48 0.42 0.02 0.00 0.00 175.26 177.38 1vpx s ILE 160 N -1.03 5.15 -0.43 -1.63 1.01 -1.26 -1.31 121.20 121.71 1vpx s ILE 160 Ca 0.17 0.90 -0.12 0.00 0.00 0.00 0.00 60.65 61.60 1vpx s ILE 160 Cb -0.12 -3.81 0.06 0.00 0.01 0.00 0.00 42.46 38.60 1vpx s ILE 160 CO 0.07 0.24 0.30 -0.63 0.00 0.00 0.00 174.94 174.92 1vpx s ILE 161 N 1.22 4.77 -0.15 2.92 1.01 0.96 -1.27 121.20 130.65 1vpx s ILE 161 Ca 0.24 -1.08 -0.29 0.00 0.00 0.00 0.00 60.65 59.52 1vpx s ILE 161 Cb -0.15 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1vpx s ILE 161 CO 0.09 -0.45 2.15 0.00 0.00 0.00 0.00 174.94 176.74 1vpx s ALA 162 N 1.56 2.95 0.51 9.38 0.00 0.26 -3.36 121.76 133.05 1vpx s ALA 162 Ca 0.03 0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.95 1vpx s ALA 162 Cb -0.22 -4.02 -0.00 0.00 0.00 0.00 0.00 23.12 18.88 1vpx s ALA 162 CO 0.06 -2.48 0.13 0.00 0.00 0.00 0.00 175.76 173.47 1vpx s ALA 163 N 7.30 4.13 -1.38 0.00 0.00 -0.44 -1.75 121.76 129.63 1vpx s ALA 163 Ca 0.97 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 1vpx s ALA 163 Cb -0.35 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1vpx s ALA 163 CO 0.37 -0.16 0.62 0.45 0.00 0.00 0.00 175.76 177.04 1vpx n SER 164 N -1.39 -1.22 -4.71 0.00 2.88 -1.26 -1.54 113.62 106.37 1vpx n SER 164 Ca -0.12 -0.89 -0.38 0.00 -1.33 0.00 0.00 58.87 56.14 1vpx n SER 164 Cb 0.66 -3.62 -0.06 0.00 -0.75 0.00 0.00 64.21 60.45 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 -3.74 5.15 -0.01 2.46 1.01 -1.26 -0.26 121.20 124.55 1vpx s ILE 165 Ca 0.09 1.04 0.03 0.00 0.00 0.00 0.00 60.65 61.81 1vpx s ILE 165 Cb -0.04 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1vpx s ILE 165 CO 0.85 0.28 0.07 0.54 0.00 0.00 0.00 174.94 176.68 1vpx n ARG 166 N 3.91 0.36 -3.66 2.79 5.12 -1.26 -4.44 116.66 119.49 1vpx n ARG 166 Ca -0.06 -0.03 -0.09 0.00 -1.93 0.00 0.00 57.85 55.75 1vpx n ARG 166 Cb 0.51 -1.08 -0.02 0.00 -1.16 0.00 0.00 32.46 30.71 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 -2.22 -0.33 0.43 -1.55 -3.43 -1.26 -4.91 115.29 102.02 1vpx s HIS 167 Ca -0.01 0.00 0.12 0.00 -0.80 0.00 0.00 55.06 54.38 1vpx s HIS 167 Cb 0.02 0.63 0.99 0.00 -1.43 0.00 0.00 32.58 32.80 1vpx s HIS 167 CO 0.14 -1.01 1.99 -1.35 -2.00 0.00 0.00 174.74 172.51 1vpx h PRO 168 N 2.00 0.43 -0.18 -0.38 0.11 -1.98 -2.51 132.00 129.48 1vpx h PRO 168 Ca -0.26 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 1vpx h PRO 168 Cb 1.27 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1vpx h PRO 168 CO 0.30 0.28 -0.23 0.52 -0.21 0.00 0.00 178.00 178.66 1vpx h MET 169 N 0.44 0.32 -0.56 1.05 2.86 -1.99 -1.87 114.93 115.19 1vpx h MET 169 Ca 0.26 -0.10 0.08 0.00 -2.06 0.00 0.00 59.70 57.87 1vpx h MET 169 Cb 0.43 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.00 1vpx h MET 169 CO -0.07 0.54 0.22 0.45 1.06 0.00 0.00 176.91 179.10 1vpx h HIS 170 N 0.29 0.38 -0.22 -0.22 3.86 -1.88 0.18 115.15 117.55 1vpx h HIS 170 Ca 0.05 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1vpx h HIS 170 Cb 0.57 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1vpx h HIS 170 CO 0.01 0.12 0.01 0.28 0.86 0.00 0.00 177.93 179.22 1vpx h VAL 171 N 0.41 1.24 -0.28 2.45 2.07 -1.46 -0.70 116.25 119.98 1vpx h VAL 171 Ca 0.27 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1vpx h VAL 171 Cb 0.30 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1vpx h VAL 171 CO -0.26 0.26 0.05 0.58 0.02 0.00 0.00 177.57 178.21 1vpx h VAL 172 N 0.15 1.23 -0.68 2.57 2.07 -1.14 0.08 116.25 120.53 1vpx h VAL 172 Ca 0.06 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 1vpx h VAL 172 Cb 0.37 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1vpx h VAL 172 CO 0.01 0.26 0.19 -0.33 0.02 0.00 0.00 177.57 177.71 1vpx h GLU 173 N 0.29 1.05 -0.71 1.57 5.08 -0.65 0.70 114.58 121.93 1vpx h GLU 173 Ca 0.09 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1vpx h GLU 173 Cb 0.33 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1vpx h GLU 173 CO 0.01 0.92 0.35 0.00 -1.00 0.00 0.00 179.01 179.28 1vpx h ALA 174 N 1.19 0.91 -0.63 3.43 0.00 -0.93 -2.26 119.26 120.98 1vpx h ALA 174 Ca 0.22 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1vpx h ALA 174 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1vpx h ALA 174 CO -0.00 0.47 0.06 0.00 0.00 0.00 0.00 179.25 179.77 1vpx h ALA 175 N 1.17 0.92 0.00 0.00 0.00 -0.58 -1.37 119.26 119.40 1vpx h ALA 175 Ca 0.24 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1vpx h ALA 175 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1vpx h ALA 175 CO -0.03 0.66 -0.30 -0.07 0.00 0.00 0.00 179.25 179.50 1vpx h LEU 176 N 0.98 0.00 -0.09 0.00 3.38 -0.56 -1.55 115.31 117.47 1vpx h LEU 176 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1vpx h LEU 176 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1vpx h LEU 176 CO 0.02 0.30 -0.40 1.15 0.09 0.00 0.00 178.44 179.61 1vpx n MET 177 N -4.17 0.16 -2.10 1.13 0.00 -0.88 -4.98 117.12 106.29 1vpx n MET 177 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.59 1vpx n MET 177 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.07 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 1.46 0.86 3.75 3.17 0.00 -0.58 -4.99 105.19 108.86 1vpx n GLY 178 Ca 0.07 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.65 2.44 0.07 1.61 1.01 -0.60 -4.93 120.40 117.35 1vpx s VAL 179 Ca 0.00 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 1vpx s VAL 179 Cb 0.00 -3.13 -0.11 0.00 0.00 0.00 0.00 36.38 33.14 1vpx s VAL 179 CO 0.00 -0.04 1.48 0.44 0.00 0.00 0.00 175.10 176.99 1vpx h ASP 180 N 1.13 0.34 -4.16 3.32 3.32 -1.90 -3.46 116.42 115.02 1vpx h ASP 180 Ca -0.51 -0.33 -0.20 0.00 0.02 0.00 0.00 57.03 56.02 1vpx h ASP 180 Cb 1.30 -0.09 -0.25 0.00 0.22 0.00 0.00 39.33 40.50 1vpx h ASP 180 CO 0.56 0.59 -0.66 -0.63 -1.72 0.00 0.00 179.24 177.38 1vpx s ILE 181 N -4.90 0.03 -0.12 0.35 1.01 -0.40 -1.54 121.20 115.63 1vpx s ILE 181 Ca -0.14 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.26 1vpx s ILE 181 Cb 0.06 -0.15 0.01 0.00 0.01 0.00 0.00 42.46 42.39 1vpx s ILE 181 CO 0.73 -0.16 -0.22 0.68 0.00 0.00 0.00 174.94 175.97 1vpx s VAL 182 N -0.46 2.03 -0.19 2.92 -7.23 -0.52 -0.58 120.40 116.37 1vpx s VAL 182 Ca -0.05 -0.98 -0.07 0.00 -1.81 0.00 0.00 61.98 59.07 1vpx s VAL 182 Cb -0.03 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 1vpx s VAL 182 CO -0.00 0.55 0.05 0.28 -0.31 0.00 0.00 175.10 175.67 1vpx s THR 183 N 0.63 4.63 0.04 5.32 -1.32 -0.71 -1.26 115.64 122.96 1vpx s THR 183 Ca -0.12 -0.09 -0.03 0.00 -1.21 0.00 0.00 61.69 60.24 1vpx s THR 183 Cb -0.16 -3.09 -0.02 0.00 -1.51 0.00 0.00 72.50 67.72 1vpx s THR 183 CO 0.02 0.45 0.04 0.00 -2.21 0.00 0.00 174.62 172.93 1vpx s MET 184 N 0.52 0.53 0.67 7.08 0.23 -0.69 -4.24 119.30 123.40 1vpx s MET 184 Ca 0.02 -0.80 -0.17 0.00 -1.03 0.00 0.00 55.69 53.71 1vpx s MET 184 Cb -0.13 0.20 0.00 0.00 -1.53 0.00 0.00 34.83 33.37 1vpx s MET 184 CO 0.01 -0.12 1.25 -2.30 -2.03 0.00 0.00 175.02 171.83 1vpx n PRO 185 N 0.85 0.93 -0.33 3.16 -0.02 -1.26 -0.17 135.00 138.17 1vpx n PRO 185 Ca -0.19 0.38 -0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1vpx n PRO 185 Cb 0.58 -2.48 0.13 0.00 -0.02 0.00 0.00 33.50 31.71 1vpx n PRO 185 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1vpx h PHE 186 N 0.27 1.08 -0.95 6.00 3.57 -1.96 -1.77 116.94 123.17 1vpx h PHE 186 Ca -0.50 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.18 1vpx h PHE 186 Cb 1.34 -0.36 -0.10 0.00 2.79 0.00 0.00 35.95 39.62 1vpx h PHE 186 CO 0.41 0.60 0.56 0.00 -2.23 0.00 0.00 178.31 177.66 1vpx h ALA 187 N 1.39 1.50 -0.26 2.41 0.00 -1.97 0.19 119.26 122.53 1vpx h ALA 187 Ca 0.37 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 1vpx h ALA 187 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1vpx h ALA 187 CO -0.14 0.02 -0.08 0.28 0.00 0.00 0.00 179.25 179.34 1vpx h VAL 188 N 0.79 1.29 -0.44 0.00 2.07 -1.69 -2.81 116.25 115.46 1vpx h VAL 188 Ca 0.52 -1.11 0.06 0.00 0.82 0.00 0.00 66.70 66.99 1vpx h VAL 188 Cb 0.70 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 1vpx h VAL 188 CO -0.34 0.35 0.12 0.25 0.02 0.00 0.00 177.57 177.97 1vpx h LEU 189 N 0.24 0.08 -0.83 2.57 5.85 -0.69 -1.45 115.31 121.08 1vpx h LEU 189 Ca 0.06 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.95 1vpx h LEU 189 Cb 0.56 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 1vpx h LEU 189 CO 0.03 0.08 0.47 -0.33 -0.34 0.00 0.00 178.44 178.35 1vpx h GLU 190 N 0.27 0.75 -0.88 1.25 5.08 -0.98 -1.77 114.58 118.31 1vpx h GLU 190 Ca 0.21 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 1vpx h GLU 190 Cb 0.24 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 1vpx h GLU 190 CO -0.25 0.50 0.58 0.87 -1.00 0.00 0.00 179.01 179.70 1vpx h LYS 191 N 0.77 0.98 0.00 2.33 1.79 -1.00 -2.75 116.57 118.69 1vpx h LYS 191 Ca 0.41 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.82 1vpx h LYS 191 Cb 0.41 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1vpx h LYS 191 CO -0.26 0.65 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.67 1vpx h LEU 192 N 1.01 0.00 -1.35 2.94 3.38 -0.99 -1.07 115.31 119.23 1vpx h LEU 192 Ca 0.37 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.28 1vpx h LEU 192 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1vpx h LEU 192 CO -0.13 0.02 -0.32 -0.26 0.09 0.00 0.00 178.44 177.84 1vpx h PHE 193 N 0.00 0.01 -3.08 1.13 -1.00 -1.54 -3.46 116.94 109.00 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 0.04 -0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.55 1vpx h PHE 193 CO 0.00 0.33 -0.17 0.15 -1.61 0.00 0.00 178.31 177.01 1vpx s LYS 194 N -4.32 4.00 -0.21 1.51 3.01 -0.41 -5.08 119.74 118.24 1vpx s LYS 194 Ca -0.03 0.48 -0.17 0.00 -1.01 0.00 0.00 55.97 55.24 1vpx s LYS 194 Cb 0.15 -3.24 0.06 0.00 -1.01 0.00 0.00 37.83 33.79 1vpx s LYS 194 CO 0.72 0.64 0.55 -1.58 0.51 0.00 0.00 175.35 176.19 1vpx s HIS 195 N -0.96 -0.68 0.47 3.18 2.46 -1.26 -5.05 115.29 113.45 1vpx s HIS 195 Ca 0.25 1.56 0.12 0.00 0.47 0.00 0.00 55.06 57.46 1vpx s HIS 195 Cb -0.17 0.29 1.10 0.00 -0.13 0.00 0.00 32.58 33.67 1vpx s HIS 195 CO 0.14 -0.34 2.11 -1.00 -2.47 0.00 0.00 174.74 173.18 1vpx h PRO 196 N 5.92 0.22 0.00 2.88 0.13 -2.00 -2.05 132.00 137.10 1vpx h PRO 196 Ca -0.30 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.67 1vpx h PRO 196 Cb 1.18 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1vpx h PRO 196 CO 0.18 0.15 -0.71 0.52 -0.23 0.00 0.00 178.00 177.92 1vpx h MET 197 N 0.23 0.00 -0.36 0.86 2.86 -1.99 -1.83 114.93 114.70 1vpx h MET 197 Ca 0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1vpx h MET 197 Cb -0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1vpx h MET 197 CO -0.01 0.71 0.18 1.15 1.06 0.00 0.00 176.91 179.99 1vpx h THR 198 N 0.00 1.16 -0.72 2.22 2.02 -1.80 -0.22 112.91 115.58 1vpx h THR 198 Ca -0.01 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 1vpx h THR 198 Cb 1.26 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1vpx h THR 198 CO 0.09 0.17 0.28 0.44 0.37 0.00 0.00 175.52 176.88 1vpx h ASP 199 N 0.45 1.00 -0.54 4.18 3.32 -1.29 -1.21 116.42 122.33 1vpx h ASP 199 Ca 0.13 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 1vpx h ASP 199 Cb 0.11 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1vpx h ASP 199 CO -0.02 0.90 0.00 -0.07 -1.72 0.00 0.00 179.24 178.33 1vpx h LEU 200 N 1.03 0.94 -0.76 1.55 3.38 -1.27 -1.92 115.31 118.26 1vpx h LEU 200 Ca 0.24 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1vpx h LEU 200 Cb 0.22 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1vpx h LEU 200 CO -0.02 1.02 0.49 1.23 0.09 0.00 0.00 178.44 181.25 1vpx h GLY 201 N 0.84 1.09 1.00 0.83 0.00 -0.71 -0.22 103.07 105.90 1vpx h GLY 201 Ca 0.15 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1vpx h GLY 201 CO 0.03 0.35 0.15 -2.22 0.00 0.00 0.00 176.54 174.85 1vpx h ILE 202 N 0.99 1.25 -0.81 2.60 2.04 -1.07 -2.48 117.51 120.01 1vpx h ILE 202 Ca 0.29 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1vpx h ILE 202 Cb -0.05 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1vpx h ILE 202 CO -0.09 0.32 0.44 -0.33 0.00 0.00 0.00 178.15 178.50 1vpx h GLU 203 N 0.82 1.14 0.00 2.37 5.08 -0.99 -2.14 114.58 120.86 1vpx h GLU 203 Ca 0.18 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1vpx h GLU 203 Cb 0.33 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1vpx h GLU 203 CO -0.00 0.84 0.00 -2.13 -1.00 0.00 0.00 179.01 176.72 1vpx n ARG 204 N -4.40 0.07 0.00 2.33 3.00 -0.12 -1.86 116.66 115.68 1vpx n ARG 204 Ca 0.08 0.27 0.00 0.00 -0.00 0.00 0.00 57.85 58.20 1vpx n ARG 204 Cb 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.06 1vpx n ARG 204 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1vpx n PHE 205 N -1.37 0.00 0.00 -0.14 7.35 -0.80 -5.09 117.46 117.41 1vpx n PHE 205 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 1vpx n PHE 205 Cb 0.08 -0.33 0.00 0.00 0.35 0.00 0.00 39.48 39.58 1vpx n PHE 205 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67