#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxx s LEU 6 N 0.00 4.34 0.79 0.00 1.43 -1.26 -5.11 118.68 118.87 2vxx s LEU 6 Ca 0.00 0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 2vxx s LEU 6 Cb 0.00 -3.04 0.07 0.00 0.03 0.00 0.00 46.19 43.25 2vxx s LEU 6 CO 0.00 0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.65 2vxx s PRO 7 N -2.53 2.12 0.43 1.29 0.04 -1.26 -4.96 135.00 130.13 2vxx s PRO 7 Ca 0.36 1.01 0.26 0.00 0.04 0.00 0.00 61.00 62.66 2vxx s PRO 7 Cb -0.13 -1.89 0.62 0.00 0.04 0.00 0.00 34.50 33.14 2vxx s PRO 7 CO 0.27 -1.70 1.71 0.07 0.04 0.00 0.00 177.00 177.39 2vxx h ARG 8 N -1.16 0.00 -3.25 4.56 0.11 -2.08 -3.41 114.38 109.15 2vxx h ARG 8 Ca -0.45 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.24 2vxx h ARG 8 Cb 1.24 0.00 -0.39 0.00 1.11 0.00 0.00 29.97 31.93 2vxx h ARG 8 CO 0.54 0.00 -0.74 -1.14 0.10 0.00 0.00 179.97 178.73 2vxx s GLN 9 N -3.30 -0.05 0.70 0.08 0.74 -1.26 -5.15 119.66 111.42 2vxx s GLN 9 Ca 0.06 0.29 -0.13 0.00 0.05 0.00 0.00 55.36 55.63 2vxx s GLN 9 Cb 0.07 -0.77 0.02 0.00 1.10 0.00 0.00 33.01 33.42 2vxx s GLN 9 CO 0.63 -0.40 1.09 0.00 -0.55 0.00 0.00 175.29 176.06 2vxx s ALA 10 N 2.17 2.45 0.39 1.58 0.00 -1.26 -4.97 121.76 122.12 2vxx s ALA 10 Ca 0.04 0.36 -0.27 0.00 0.00 0.00 0.00 51.96 52.10 2vxx s ALA 10 Cb -0.13 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 2vxx s ALA 10 CO -0.04 -1.40 1.33 0.12 0.00 0.00 0.00 175.76 175.76 2vxx s PHE 11 N -2.66 2.81 0.00 0.00 2.19 -1.26 -2.18 117.98 116.89 2vxx s PHE 11 Ca 0.63 1.38 0.00 0.00 0.33 0.00 0.00 56.93 59.27 2vxx s PHE 11 Cb -0.18 -3.72 0.00 0.00 -1.31 0.00 0.00 43.02 37.81 2vxx s PHE 11 CO 0.48 -2.19 0.00 0.41 1.83 0.00 0.00 175.22 175.75 2vxx n GLY 12 N 0.67 2.76 3.78 13.12 0.00 -1.26 -5.02 105.19 119.23 2vxx n GLY 12 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2vxx n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vxx s GLU 13 N -0.23 4.54 -0.15 1.61 2.12 -0.93 -5.04 118.70 120.63 2vxx s GLU 13 Ca 0.00 1.16 -0.04 0.00 0.36 0.00 0.00 54.97 56.44 2vxx s GLU 13 Cb 0.00 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 2vxx s GLU 13 CO 0.00 0.50 -0.00 -1.64 -0.54 0.00 0.00 175.26 173.58 2vxx s MET 14 N -1.42 3.63 0.41 4.30 -1.94 -1.26 -4.23 119.30 118.80 2vxx s MET 14 Ca 0.39 -0.45 0.08 0.00 -1.71 0.00 0.00 55.69 54.00 2vxx s MET 14 Cb -0.22 -2.98 -0.00 0.00 2.01 0.00 0.00 34.83 33.65 2vxx s MET 14 CO 0.26 0.34 0.50 0.00 -0.01 0.00 0.00 175.02 176.11 2vxx s ALA 15 N 0.13 4.36 0.49 3.03 0.00 0.16 -5.02 121.76 124.91 2vxx s ALA 15 Ca 0.01 -1.72 -0.21 0.00 0.00 0.00 0.00 51.96 50.04 2vxx s ALA 15 Cb -0.13 -1.45 -0.07 0.00 0.00 0.00 0.00 23.12 21.47 2vxx s ALA 15 CO 0.02 -0.24 1.10 -0.51 0.00 0.00 0.00 175.76 176.12 2vxx s ASP 16 N -4.27 6.14 0.04 0.00 1.01 -1.26 -4.53 116.67 113.80 2vxx s ASP 16 Ca 0.52 2.11 0.02 0.00 0.71 0.00 0.00 52.55 55.91 2vxx s ASP 16 Cb -0.08 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 2vxx s ASP 16 CO 0.31 -0.93 0.05 0.28 0.21 0.00 0.00 175.17 175.09 2vxx s THR 17 N -1.77 4.40 -1.45 -1.27 -1.32 -1.26 -4.64 115.64 108.33 2vxx s THR 17 Ca 0.67 -0.68 0.30 0.00 -1.21 0.00 0.00 61.69 60.77 2vxx s THR 17 Cb -0.22 -3.06 0.54 0.00 -1.51 0.00 0.00 72.50 68.25 2vxx s THR 17 CO 0.26 0.23 2.05 1.33 -2.21 0.00 0.00 174.62 176.29 2vxx n VAL 18 N 0.86 0.01 -0.19 5.08 0.24 -1.26 -3.92 118.33 119.15 2vxx n VAL 18 Ca -0.11 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.20 2vxx n VAL 18 Cb 0.52 -0.51 0.23 0.00 -1.47 0.00 0.00 33.84 32.61 2vxx n VAL 18 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2vxx n ILE 19 N -1.27 1.79 -3.61 1.34 -5.35 -1.26 -4.92 119.36 106.08 2vxx n ILE 19 Ca 0.15 -0.90 -0.23 0.00 -0.27 0.00 0.00 62.75 61.49 2vxx n ILE 19 Cb 0.23 -0.42 0.07 0.00 -1.74 0.00 0.00 39.64 37.79 2vxx n ILE 19 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2vxx n LEU 20 N 0.24 -3.41 -4.37 7.28 4.77 -1.25 -5.02 117.00 115.24 2vxx n LEU 20 Ca 0.20 -0.59 -0.32 0.00 -0.03 0.00 0.00 56.01 55.27 2vxx n LEU 20 Cb 0.89 -2.98 -0.15 0.00 -2.33 0.00 0.00 43.42 38.85 2vxx n LEU 20 CO 0.23 0.58 -0.51 -0.76 -1.33 0.00 0.00 177.39 175.59 2vxx s LEU 21 N -7.12 2.39 0.64 2.23 1.43 -1.26 -5.13 118.68 111.86 2vxx s LEU 21 Ca 0.47 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 2vxx s LEU 21 Cb -0.21 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 2vxx s LEU 21 CO 0.75 0.29 1.05 -1.61 0.23 0.00 0.00 176.35 177.05 2vxx s GLU 22 N -0.41 3.40 0.29 1.70 2.02 -1.26 -4.63 118.70 119.81 2vxx s GLU 22 Ca 0.04 0.71 0.05 0.00 0.02 0.00 0.00 54.97 55.79 2vxx s GLU 22 Cb -0.12 -2.06 0.73 0.00 0.10 0.00 0.00 34.13 32.78 2vxx s GLU 22 CO 0.02 -0.71 1.73 0.87 0.02 0.00 0.00 175.26 177.20 2vxx h LYS 23 N -0.42 0.55 0.00 1.61 1.79 -1.97 0.05 116.57 118.18 2vxx h LYS 23 Ca -0.44 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 2vxx h LYS 23 Cb 1.20 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2vxx h LYS 23 CO 0.62 0.37 -0.04 0.00 -1.08 0.00 0.00 179.45 179.32 2vxx h ALA 24 N 1.67 1.26 0.00 3.86 0.00 -2.00 0.14 119.26 124.18 2vxx h ALA 24 Ca 0.56 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 55.13 2vxx h ALA 24 Cb 0.98 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2vxx h ALA 24 CO -0.45 0.05 -1.68 2.41 0.00 0.00 0.00 179.25 179.58 2vxx n THR 25 N -3.50 1.54 -0.04 0.00 -1.04 -0.29 -4.56 114.28 106.39 2vxx n THR 25 Ca -0.02 -0.15 -0.04 0.00 -2.04 0.00 0.00 64.05 61.80 2vxx n THR 25 Cb 0.14 -1.98 0.19 0.00 -1.82 0.00 0.00 70.33 66.86 2vxx n THR 25 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2vxx h THR 26 N -0.98 1.24 0.87 12.58 1.35 -0.70 -3.08 112.91 124.19 2vxx h THR 26 Ca -0.46 -1.08 -0.04 0.00 -0.55 0.00 0.00 66.41 64.28 2vxx h THR 26 Cb 1.42 1.08 0.01 0.00 -1.73 0.00 0.00 68.15 68.92 2vxx h THR 26 CO -0.27 0.36 -0.42 0.74 -0.25 0.00 0.00 175.52 175.68 2vxx h THR 27 N 0.58 0.04 0.00 6.82 2.02 -0.98 0.11 112.91 121.50 2vxx h THR 27 Ca 0.11 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 2vxx h THR 27 Cb 0.52 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2vxx h THR 27 CO 0.03 0.00 -0.23 1.55 0.37 0.00 0.00 175.52 177.24 2vxx h PRO 28 N -1.28 0.00 -0.03 6.66 0.13 -1.79 -1.45 132.00 134.23 2vxx h PRO 28 Ca -0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2vxx h PRO 28 Cb 0.90 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 2vxx h PRO 28 CO 0.20 0.23 0.00 0.82 -0.23 0.00 0.00 178.00 179.02 2vxx h ILE 29 N 0.00 1.22 -0.77 -3.56 2.04 -1.43 -2.11 117.51 112.90 2vxx h ILE 29 Ca -0.00 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2vxx h ILE 29 Cb 0.44 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 2vxx h ILE 29 CO 0.03 0.18 0.34 0.00 0.00 0.00 0.00 178.15 178.70 2vxx h GLU 31 N 1.10 0.99 -0.48 0.00 5.08 -1.26 0.17 114.58 120.17 2vxx h GLU 31 Ca 0.26 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 2vxx h GLU 31 Cb 0.15 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2vxx h GLU 31 CO -0.03 0.81 -0.17 0.78 -1.00 0.00 0.00 179.01 179.40 2vxx h GLY 32 N 0.94 1.06 1.26 -3.84 0.00 -1.03 -2.77 103.07 98.69 2vxx h GLY 32 Ca 0.23 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 2vxx h GLY 32 CO -0.02 0.83 0.39 1.98 0.00 0.00 0.00 176.54 179.72 2vxx h MET 33 N 0.83 0.98 -0.66 4.80 -1.53 -0.45 -1.45 114.93 117.45 2vxx h MET 33 Ca 0.12 -0.10 -0.06 0.00 -3.44 0.00 0.00 59.70 56.21 2vxx h MET 33 Cb 0.75 -0.20 -0.03 0.00 -0.55 0.00 0.00 31.60 31.57 2vxx h MET 33 CO 0.06 0.71 0.17 -0.91 0.14 0.00 0.00 176.91 177.08 2vxx h ASN 34 N 0.99 0.99 -0.78 1.39 2.35 -0.92 0.47 115.58 120.07 2vxx h ASN 34 Ca 0.25 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2vxx h ASN 34 Cb 0.01 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 2vxx h ASN 34 CO -0.04 0.96 0.46 0.03 -1.65 0.00 0.00 177.43 177.19 2vxx h ARG 35 N 0.97 1.06 -0.30 0.81 3.08 -1.15 0.46 114.38 119.32 2vxx h ARG 35 Ca 0.21 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 2vxx h ARG 35 Cb 0.35 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2vxx h ARG 35 CO 0.00 0.75 -0.22 -0.07 -1.07 0.00 0.00 179.97 179.36 2vxx h LEU 36 N 1.07 0.71 -0.16 3.04 3.38 -1.06 -1.66 115.31 120.63 2vxx h LEU 36 Ca 0.28 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.82 2vxx h LEU 36 Cb -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2vxx h LEU 36 CO -0.05 1.00 0.05 0.25 0.09 0.00 0.00 178.44 179.78 2vxx h LEU 37 N 0.42 0.05 -0.55 1.67 5.85 0.16 -0.29 115.31 122.62 2vxx h LEU 37 Ca 0.06 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.85 2vxx h LEU 37 Cb 0.77 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 2vxx h LEU 37 CO 0.06 0.05 0.27 0.00 -0.34 0.00 0.00 178.44 178.48 2vxx h ALA 38 N 1.10 0.71 -0.45 1.25 0.00 -0.88 -0.19 119.26 120.80 2vxx h ALA 38 Ca 0.07 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2vxx h ALA 38 Cb 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2vxx h ALA 38 CO -0.08 -0.08 -0.02 0.77 0.00 0.00 0.00 179.25 179.84 2vxx h SER 39 N 0.52 0.81 -0.67 0.00 0.02 -1.01 0.91 113.55 114.13 2vxx h SER 39 Ca 0.25 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 2vxx h SER 39 Cb 0.18 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2vxx h SER 39 CO -0.18 0.93 0.19 -0.26 -1.14 0.00 0.00 176.83 176.37 2vxx h PHE 40 N 0.66 1.09 -0.58 3.45 0.04 -0.92 0.12 116.94 120.80 2vxx h PHE 40 Ca 0.13 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 2vxx h PHE 40 Cb 0.53 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 2vxx h PHE 40 CO 0.04 0.89 0.29 0.37 -0.60 0.00 0.00 178.31 179.30 2vxx h GLN 41 N 0.98 0.83 -0.39 1.51 5.75 -0.74 0.22 115.11 123.27 2vxx h GLN 41 Ca 0.21 -0.11 -0.09 0.00 -0.15 0.00 0.00 58.65 58.51 2vxx h GLN 41 Cb 0.32 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 2vxx h GLN 41 CO -0.00 0.66 -0.11 0.00 -2.65 0.00 0.00 178.83 176.72 2vxx h ALA 42 N 1.12 1.08 -0.23 3.38 0.00 -0.60 -2.57 119.26 121.44 2vxx h ALA 42 Ca 0.20 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2vxx h ALA 42 Cb 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2vxx h ALA 42 CO -0.03 0.57 -0.56 1.25 0.00 0.00 0.00 179.25 180.48 2vxx h LEU 43 N 0.62 0.80 -0.52 0.00 5.85 -0.27 -2.22 115.31 119.57 2vxx h LEU 43 Ca 0.11 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.46 2vxx h LEU 43 Cb 0.56 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 2vxx h LEU 43 CO 0.03 1.19 0.21 0.22 -0.34 0.00 0.00 178.44 179.75 2vxx h TYR 44 N 0.55 0.37 -0.67 1.25 5.03 -0.43 -0.71 116.97 122.37 2vxx h TYR 44 Ca 0.01 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 2vxx h TYR 44 Cb 1.13 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 39.29 2vxx h TYR 44 CO 0.06 0.14 0.38 -0.07 -1.32 0.00 0.00 178.16 177.34 2vxx h LEU 45 N 0.41 0.82 0.09 2.82 3.38 -1.33 -1.42 115.31 120.07 2vxx h LEU 45 Ca 0.25 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2vxx h LEU 45 Cb 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2vxx h LEU 45 CO -0.23 0.67 -0.04 -0.61 0.09 0.00 0.00 178.44 178.32 2vxx h GLN 46 N 0.91 -0.11 -0.82 1.13 4.15 -1.04 -1.13 115.11 118.20 2vxx h GLN 46 Ca 0.24 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.72 2vxx h GLN 46 Cb 0.02 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.68 2vxx h GLN 46 CO -0.04 0.15 0.50 1.88 -1.93 0.00 0.00 178.83 179.39 2vxx h TYR 47 N -0.37 0.93 -0.38 3.99 0.05 -1.09 -0.54 116.97 119.55 2vxx h TYR 47 Ca -0.01 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 2vxx h TYR 47 Cb 0.32 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 2vxx h TYR 47 CO 0.01 0.47 0.15 0.37 -1.05 0.00 0.00 178.16 178.11 2vxx h GLN 48 N 0.92 0.58 -0.41 4.88 4.15 -1.18 0.12 115.11 124.17 2vxx h GLN 48 Ca 0.36 -0.10 0.07 0.00 0.77 0.00 0.00 58.65 59.74 2vxx h GLN 48 Cb 0.16 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.70 2vxx h GLN 48 CO -0.17 0.55 0.02 -0.22 -1.93 0.00 0.00 178.83 177.08 2vxx h LYS 49 N 0.48 0.13 -0.86 1.69 3.64 -0.77 -0.39 116.57 120.48 2vxx h LYS 49 Ca 0.13 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2vxx h LYS 49 Cb 0.19 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 2vxx h LYS 49 CO -0.01 0.08 0.55 0.45 -2.27 0.00 0.00 179.45 178.25 2vxx h HIS 50 N 0.13 1.11 -0.55 1.91 3.86 -0.67 -0.25 115.15 120.70 2vxx h HIS 50 Ca 0.20 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.47 2vxx h HIS 50 Cb 0.28 -0.37 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 2vxx h HIS 50 CO -0.26 0.72 0.30 1.25 0.86 0.00 0.00 177.93 180.80 2vxx h HIS 51 N 1.18 0.55 -0.70 2.45 -0.00 -0.27 -1.56 115.15 116.81 2vxx h HIS 51 Ca 0.31 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.65 2vxx h HIS 51 Cb -0.10 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.12 2vxx h HIS 51 CO -0.01 0.28 0.21 0.74 -0.00 0.00 0.00 177.93 179.16 2vxx h PHE 52 N 0.58 1.13 -0.00 5.26 0.04 0.04 -3.37 116.94 120.62 2vxx h PHE 52 Ca 0.24 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2vxx h PHE 52 Cb 0.11 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 37.94 2vxx h PHE 52 CO -0.09 0.91 -0.50 1.33 -0.60 0.00 0.00 178.31 179.35 2vxx n VAL 53 N -4.30 0.00 -1.97 -0.55 0.24 -0.21 -5.01 118.33 106.53 2vxx n VAL 53 Ca 0.05 -0.25 -0.38 0.00 -2.04 0.00 0.00 64.34 61.72 2vxx n VAL 53 Cb 0.23 1.02 0.02 0.00 -1.47 0.00 0.00 33.84 33.64 2vxx n VAL 53 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2vxx s VAL 54 N -2.02 2.47 0.31 3.34 0.11 -0.60 -5.00 120.40 119.01 2vxx s VAL 54 Ca 0.05 0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 59.33 2vxx s VAL 54 Cb 0.09 -3.20 0.02 0.00 -1.53 0.00 0.00 36.38 31.76 2vxx s VAL 54 CO 0.45 0.01 0.65 -1.83 -3.33 0.00 0.00 175.10 171.06 2vxx s GLU 55 N -2.67 1.88 0.00 1.54 -1.05 -1.26 -4.96 118.70 112.18 2vxx s GLU 55 Ca 0.65 -1.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 2vxx s GLU 55 Cb -0.37 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 2vxx s GLU 55 CO 0.45 -0.84 0.00 0.41 0.95 0.00 0.00 175.26 176.23 2vxx n GLY 56 N -0.48 -1.04 0.33 -3.83 0.00 -1.26 -4.57 105.19 94.34 2vxx n GLY 56 Ca -0.04 -2.13 0.15 0.00 0.00 0.00 0.00 46.02 44.00 2vxx n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vxx h ALA 57 N 0.00 2.23 -0.48 4.61 0.00 -2.07 -1.40 119.26 122.15 2vxx h ALA 57 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 2vxx h ALA 57 Cb 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.65 2vxx h ALA 57 CO 0.00 -0.36 -0.01 0.39 0.00 0.00 0.00 179.25 179.27 2vxx n GLU 58 N -4.38 2.03 -0.04 0.00 4.71 -1.26 -4.81 120.64 116.89 2vxx n GLU 58 Ca 0.04 -3.25 -0.09 0.00 -0.01 0.00 0.00 57.16 53.85 2vxx n GLU 58 Cb 0.38 -1.91 -0.02 0.00 -1.01 0.00 0.00 31.44 28.87 2vxx n GLU 58 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2vxx h PHE 59 N 1.13 -0.70 -0.23 -0.32 3.57 -1.50 -2.31 116.94 116.59 2vxx h PHE 59 Ca 0.30 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.77 2vxx h PHE 59 Cb 1.74 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.82 2vxx h PHE 59 CO 1.12 -0.34 -0.12 -0.92 -2.23 0.00 0.00 178.31 175.82 2vxx h TYR 60 N -0.28 0.56 -0.33 0.41 -0.00 -1.87 0.04 116.97 115.49 2vxx h TYR 60 Ca 0.13 -0.14 -0.01 0.00 -0.00 0.00 0.00 58.73 58.70 2vxx h TYR 60 Cb 0.48 -0.13 -0.02 0.00 -0.00 0.00 0.00 36.73 37.07 2vxx h TYR 60 CO -0.40 0.77 0.15 -1.35 -0.00 0.00 0.00 178.16 177.33 2vxx h PRO 61 N 0.19 0.49 -0.40 1.82 0.11 -1.94 -2.11 132.00 130.16 2vxx h PRO 61 Ca 0.05 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 2vxx h PRO 61 Cb 0.63 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 2vxx h PRO 61 CO 0.04 0.46 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.21 2vxx h LEU 62 N 0.40 0.69 -0.42 2.35 3.38 -1.38 0.19 115.31 120.52 2vxx h LEU 62 Ca 0.11 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.85 2vxx h LEU 62 Cb 0.13 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.61 2vxx h LEU 62 CO -0.01 0.83 -0.44 -0.74 0.09 0.00 0.00 178.44 178.17 2vxx h HIS 63 N 0.53 -1.28 -0.50 1.13 2.76 -0.95 0.22 115.15 117.05 2vxx h HIS 63 Ca 0.11 0.07 -0.12 0.00 -2.20 0.00 0.00 60.37 58.23 2vxx h HIS 63 Cb 0.48 0.62 -0.02 0.00 1.55 0.00 0.00 27.41 30.04 2vxx h HIS 63 CO 0.04 -0.44 -0.16 0.37 -1.30 0.00 0.00 177.93 176.43 2vxx h GLN 64 N -0.32 0.98 -0.60 5.26 5.75 -1.23 -2.97 115.11 121.97 2vxx h GLN 64 Ca 0.14 -0.38 -0.00 0.00 -0.15 0.00 0.00 58.65 58.25 2vxx h GLN 64 Cb 0.58 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 2vxx h GLN 64 CO -0.59 1.06 0.38 0.35 -2.65 0.00 0.00 178.83 177.38 2vxx h PHE 65 N 0.86 0.79 -0.58 3.99 3.04 0.07 -1.50 116.94 123.60 2vxx h PHE 65 Ca 0.12 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.02 2vxx h PHE 65 Cb 0.73 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.95 2vxx h PHE 65 CO 0.05 0.52 0.14 0.74 -2.02 0.00 0.00 178.31 177.75 2vxx h PHE 66 N 0.82 0.92 -0.22 0.41 0.04 -0.57 -1.47 116.94 116.87 2vxx h PHE 66 Ca 0.22 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 2vxx h PHE 66 Cb -0.04 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.83 2vxx h PHE 66 CO -0.02 0.77 -0.02 0.37 -0.60 0.00 0.00 178.31 178.81 2vxx h GLN 67 N 0.86 0.40 -0.58 1.51 4.15 -1.32 -1.32 115.11 118.80 2vxx h GLN 67 Ca 0.19 -0.14 0.08 0.00 0.77 0.00 0.00 58.65 59.55 2vxx h GLN 67 Cb 0.30 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.90 2vxx h GLN 67 CO -0.00 0.61 0.24 -0.44 -1.93 0.00 0.00 178.83 177.30 2vxx h ASP 68 N 0.15 0.27 0.22 -0.69 3.32 -1.12 -0.81 116.42 117.77 2vxx h ASP 68 Ca 0.06 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2vxx h ASP 68 Cb 0.44 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2vxx h ASP 68 CO 0.01 0.17 -0.11 0.00 -1.72 0.00 0.00 179.24 177.60 2vxx h TYR 70 N -0.32 0.00 -0.39 0.00 -0.00 -1.00 -0.53 116.97 114.73 2vxx h TYR 70 Ca -0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.55 2vxx h TYR 70 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.97 2vxx h TYR 70 CO -0.06 0.42 -0.33 0.93 -0.00 0.00 0.00 178.16 179.12 2vxx h GLU 71 N 0.00 0.89 -0.59 0.10 5.08 -1.05 0.60 114.58 119.60 2vxx h GLU 71 Ca -0.00 -0.43 -0.10 0.00 -1.00 0.00 0.00 59.36 57.83 2vxx h GLU 71 Cb 0.78 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2vxx h GLU 71 CO 0.05 1.08 -0.01 0.37 -1.00 0.00 0.00 179.01 179.50 2vxx h GLN 72 N 0.74 1.05 -0.60 2.33 4.15 -0.88 -2.78 115.11 119.12 2vxx h GLN 72 Ca 0.07 -0.34 -0.07 0.00 0.77 0.00 0.00 58.65 59.09 2vxx h GLN 72 Cb 0.90 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.47 2vxx h GLN 72 CO 0.08 1.03 0.09 0.28 -1.93 0.00 0.00 178.83 178.38 2vxx h VAL 73 N 0.96 1.25 -0.81 2.39 2.07 -0.92 -2.45 116.25 118.74 2vxx h VAL 73 Ca 0.17 -0.99 0.14 0.00 0.82 0.00 0.00 66.70 66.83 2vxx h VAL 73 Cb 0.57 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2vxx h VAL 73 CO 0.03 0.37 0.53 1.56 0.02 0.00 0.00 177.57 180.08 2vxx h GLN 74 N 0.92 0.55 -0.60 1.57 4.20 -0.68 -1.07 115.11 120.00 2vxx h GLN 74 Ca 0.19 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 2vxx h GLN 74 Cb 0.41 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2vxx h GLN 74 CO 0.01 0.37 -0.00 -0.44 -0.67 0.00 0.00 178.83 178.10 2vxx h ASP 75 N 0.57 1.04 -0.47 1.46 3.32 -1.17 -2.29 116.42 118.88 2vxx h ASP 75 Ca 0.39 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 2vxx h ASP 75 Cb 0.72 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2vxx h ASP 75 CO -0.15 1.10 -0.02 0.45 -1.72 0.00 0.00 179.24 178.89 2vxx h HIS 76 N 0.96 0.93 -0.18 4.55 3.86 -1.12 -2.08 115.15 122.08 2vxx h HIS 76 Ca 0.17 -0.17 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2vxx h HIS 76 Cb 0.56 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.75 2vxx h HIS 76 CO 0.04 0.90 -0.11 0.28 0.86 0.00 0.00 177.93 179.90 2vxx h VAL 77 N 0.70 0.68 -0.12 2.45 2.07 -1.17 0.90 116.25 121.75 2vxx h VAL 77 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2vxx h VAL 77 Cb 0.54 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2vxx h VAL 77 CO 0.03 0.00 -0.04 -0.74 0.02 0.00 0.00 177.57 176.84 2vxx h HIS 78 N -0.10 -0.09 -0.37 1.57 6.17 -1.32 0.25 115.15 121.26 2vxx h HIS 78 Ca 0.10 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.20 2vxx h HIS 78 Cb 0.25 0.06 -0.02 0.00 2.52 0.00 0.00 27.41 30.22 2vxx h HIS 78 CO -0.25 -0.07 0.23 0.00 0.71 0.00 0.00 177.93 178.55 2vxx h ALA 79 N 1.11 0.47 -0.10 5.26 0.00 -1.07 -2.07 119.26 122.85 2vxx h ALA 79 Ca 0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2vxx h ALA 79 Cb 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2vxx h ALA 79 CO -0.14 -0.05 -0.28 -0.07 0.00 0.00 0.00 179.25 178.71 2vxx h LEU 80 N 0.49 0.41 -0.59 0.00 3.38 -0.58 -2.13 115.31 116.29 2vxx h LEU 80 Ca 0.13 -0.60 0.10 0.00 0.09 0.00 0.00 57.88 57.60 2vxx h LEU 80 Cb -0.02 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.53 2vxx h LEU 80 CO -0.03 0.94 0.18 1.23 0.09 0.00 0.00 178.44 180.86 2vxx h GLY 81 N -0.09 0.80 1.27 0.83 0.00 -0.50 0.00 103.07 105.38 2vxx h GLY 81 Ca -0.01 -0.08 -0.26 0.00 0.00 0.00 0.00 47.33 46.98 2vxx h GLY 81 CO 0.06 -0.06 -1.02 -2.09 0.00 0.00 0.00 176.54 173.43 2vxx h GLU 82 N 0.34 0.66 -0.22 4.80 4.81 -1.40 -2.96 114.58 120.61 2vxx h GLU 82 Ca 0.30 -0.70 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2vxx h GLU 82 Cb 0.41 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2vxx h GLU 82 CO -0.34 1.29 0.13 -0.09 -0.73 0.00 0.00 179.01 179.27 2vxx h ARG 83 N 0.37 0.29 -0.31 1.92 9.65 -1.23 -1.57 114.38 123.51 2vxx h ARG 83 Ca -0.12 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 58.80 2vxx h ARG 83 Cb 1.67 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 30.13 2vxx h ARG 83 CO 0.20 0.23 -0.09 1.25 2.80 0.00 0.00 179.97 184.35 2vxx h LEU 84 N 0.27 -0.33 -0.72 3.80 6.46 -1.03 0.13 115.31 123.89 2vxx h LEU 84 Ca 0.08 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 2vxx h LEU 84 Cb 0.01 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.12 2vxx h LEU 84 CO -0.02 -0.12 0.40 -1.13 -0.62 0.00 0.00 178.44 176.95 2vxx h ASN 85 N -0.03 0.89 -0.80 1.25 -0.73 -1.47 -2.17 115.58 112.52 2vxx h ASN 85 Ca 0.15 -0.09 0.07 0.00 1.87 0.00 0.00 56.30 58.30 2vxx h ASN 85 Cb 0.25 -0.23 -0.05 0.00 0.27 0.00 0.00 38.32 38.56 2vxx h ASN 85 CO -0.33 0.72 0.53 1.23 -0.37 0.00 0.00 177.43 179.21 2vxx h GLY 86 N 0.98 1.10 1.78 1.57 0.00 -0.22 -0.95 103.07 107.34 2vxx h GLY 86 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2vxx h GLY 86 CO -0.04 0.23 0.00 1.04 0.00 0.00 0.00 176.54 177.77 2vxx n LEU 87 N -4.49 0.00 0.00 3.11 4.77 0.34 -4.56 117.00 116.17 2vxx n LEU 87 Ca 0.12 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2vxx n LEU 87 Cb 0.25 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2vxx n LEU 87 CO 0.33 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2vxx n GLY 88 N 0.80 1.06 1.77 -0.72 0.00 -0.36 -4.34 105.19 103.40 2vxx n GLY 88 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 2vxx n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vxx n GLY 89 N -1.85 2.35 3.13 -0.02 0.00 -0.85 0.38 105.19 108.33 2vxx n GLY 89 Ca 0.00 -2.20 -0.33 0.00 0.00 0.00 0.00 46.02 43.49 2vxx n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vxx s VAL 90 N -0.90 2.29 0.27 1.61 1.01 -1.26 -4.19 120.40 119.24 2vxx s VAL 90 Ca 0.22 -1.11 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 2vxx s VAL 90 Cb -0.02 -2.10 -0.10 0.00 0.00 0.00 0.00 36.38 34.16 2vxx s VAL 90 CO 0.14 0.33 1.23 -2.16 0.00 0.00 0.00 175.10 174.64 2vxx s PRO 91 N 1.26 4.47 0.50 2.72 0.04 -1.26 -4.78 135.00 137.94 2vxx s PRO 91 Ca 0.01 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 62.83 2vxx s PRO 91 Cb -0.15 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 2vxx s PRO 91 CO -0.09 -0.06 1.31 1.55 0.04 0.00 0.00 177.00 179.75 2vxx n VAL 92 N 1.46 3.28 0.10 -0.36 3.14 -1.26 -4.96 118.33 119.73 2vxx n VAL 92 Ca 0.01 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 2vxx n VAL 92 Cb 0.43 -1.61 0.00 0.00 -1.06 0.00 0.00 33.84 31.60 2vxx n VAL 92 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2vxx n ALA 93 N -0.73 3.00 -1.97 1.55 0.00 -1.26 -4.95 120.51 116.14 2vxx n ALA 93 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 2vxx n ALA 93 Cb 0.43 0.12 0.03 0.00 0.00 0.00 0.00 19.45 20.03 2vxx n ALA 93 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2vxx s GLY 94 N -4.52 1.62 0.19 0.00 0.00 -1.26 -4.84 107.32 98.50 2vxx s GLY 94 Ca 0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 44.72 44.08 2vxx s GLY 94 CO 0.00 -0.13 1.60 0.74 0.00 0.00 0.00 173.10 175.31 2vxx h PHE 95 N -0.41 -0.75 -0.28 1.90 0.04 -2.00 -0.93 116.94 114.52 2vxx h PHE 95 Ca -0.45 0.06 -0.12 0.00 2.80 0.00 0.00 57.97 60.26 2vxx h PHE 95 Cb 1.24 0.41 -0.01 0.00 2.20 0.00 0.00 35.95 39.79 2vxx h PHE 95 CO 0.51 -0.35 -0.32 1.96 -0.60 0.00 0.00 178.31 179.51 2vxx h GLN 96 N -0.14 0.60 -0.08 1.51 7.50 -1.99 -0.82 115.11 121.68 2vxx h GLN 96 Ca 0.24 -0.27 -0.20 0.00 0.50 0.00 0.00 58.65 58.91 2vxx h GLN 96 Cb 0.52 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.04 2vxx h GLN 96 CO -0.63 0.85 -0.79 0.37 -1.50 0.00 0.00 178.83 177.12 2vxx h GLN 97 N 0.51 0.52 -0.43 1.46 5.75 -1.87 -2.52 115.11 118.52 2vxx h GLN 97 Ca 0.06 -0.45 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 2vxx h GLN 97 Cb 0.81 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.44 2vxx h GLN 97 CO 0.07 1.08 0.27 -0.07 -2.65 0.00 0.00 178.83 177.53 2vxx h LEU 98 N 0.34 0.51 -1.12 -2.39 3.38 -0.98 -2.45 115.31 112.61 2vxx h LEU 98 Ca -0.05 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 57.97 2vxx h LEU 98 Cb 1.39 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.95 2vxx h LEU 98 CO 0.14 0.40 0.60 0.00 0.09 0.00 0.00 178.44 179.68 2vxx h ALA 99 N 1.13 1.55 -0.17 1.53 0.00 -1.07 -1.13 119.26 121.10 2vxx h ALA 99 Ca 0.16 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2vxx h ALA 99 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2vxx h ALA 99 CO -0.03 0.26 -0.30 0.00 0.00 0.00 0.00 179.25 179.19 2vxx h ALA 100 N 1.53 1.18 -0.01 0.00 0.00 -1.01 -3.29 119.26 117.67 2vxx h ALA 100 Ca 0.43 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2vxx h ALA 100 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2vxx h ALA 100 CO -0.19 0.53 -0.37 1.28 0.00 0.00 0.00 179.25 180.50 2vxx n LEU 101 N -4.11 1.46 -4.72 0.00 4.77 -0.90 -5.00 117.00 108.51 2vxx n LEU 101 Ca -0.01 -0.73 -0.42 0.00 -0.03 0.00 0.00 56.01 54.82 2vxx n LEU 101 Cb 0.41 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2vxx n LEU 101 CO 0.41 0.29 1.28 0.00 -1.33 0.00 0.00 177.39 178.03 2vxx s PHE 104 N -2.23 2.08 -0.39 0.00 -0.12 -1.26 -4.90 117.98 111.16 2vxx s PHE 104 Ca 0.33 -0.91 -0.22 0.00 -0.05 0.00 0.00 56.93 56.09 2vxx s PHE 104 Cb 0.20 -1.39 0.01 0.00 -0.63 0.00 0.00 43.02 41.21 2vxx s PHE 104 CO 0.42 0.10 0.70 0.99 -0.05 0.00 0.00 175.22 177.37 2vxx s THR 105 N -3.16 4.80 0.58 -4.49 2.01 -1.26 -5.05 115.64 109.06 2vxx s THR 105 Ca 0.35 0.55 -0.20 0.00 0.31 0.00 0.00 61.69 62.70 2vxx s THR 105 Cb 0.09 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2vxx s THR 105 CO 0.16 -0.47 1.23 -2.84 -0.69 0.00 0.00 174.62 172.02 2vxx s PRO 106 N 2.93 3.05 0.33 4.92 0.02 -1.26 -4.95 135.00 140.04 2vxx s PRO 106 Ca 0.27 1.90 -0.29 0.00 0.02 0.00 0.00 61.00 62.90 2vxx s PRO 106 Cb -0.14 -2.02 -0.12 0.00 0.02 0.00 0.00 34.50 32.24 2vxx s PRO 106 CO 0.17 -1.16 1.47 -1.91 -0.33 0.00 0.00 177.00 175.24 2vxx n GLU 107 N -1.41 2.52 -0.90 5.54 2.13 -1.26 -4.98 120.64 122.28 2vxx n GLU 107 Ca 0.13 0.89 -0.30 0.00 0.66 0.00 0.00 57.16 58.53 2vxx n GLU 107 Cb 0.49 -2.60 0.17 0.00 0.27 0.00 0.00 31.44 29.77 2vxx n GLU 107 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2vxx s PRO 108 N -1.47 0.78 0.81 5.31 0.02 -1.26 -4.99 135.00 134.20 2vxx s PRO 108 Ca 0.58 1.09 -0.13 0.00 0.02 0.00 0.00 61.00 62.56 2vxx s PRO 108 Cb -0.52 -1.73 0.09 0.00 0.02 0.00 0.00 34.50 32.36 2vxx s PRO 108 CO 0.58 -2.65 1.19 -1.21 -0.33 0.00 0.00 177.00 174.58 2vxx s GLU 109 N -4.73 1.63 0.00 5.54 0.41 -1.26 -4.88 118.70 115.41 2vxx s GLU 109 Ca 0.65 1.69 0.00 0.00 -0.41 0.00 0.00 54.97 56.91 2vxx s GLU 109 Cb -0.21 -1.78 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 2vxx s GLU 109 CO 0.59 -2.21 0.00 0.41 -0.49 0.00 0.00 175.26 173.56 2vxx n GLY 110 N 0.35 2.59 3.61 -1.39 0.00 -1.26 -5.00 105.19 104.09 2vxx n GLY 110 Ca 0.13 -1.83 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 2vxx n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vxx s ALA 111 N -2.45 3.58 0.42 4.61 0.00 -1.26 -5.07 121.76 121.59 2vxx s ALA 111 Ca 0.00 -0.70 0.08 0.00 0.00 0.00 0.00 51.96 51.34 2vxx s ALA 111 Cb 0.00 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.33 2vxx s ALA 111 CO 0.00 -0.68 0.56 -0.06 0.00 0.00 0.00 175.76 175.58 2vxx s PHE 112 N 2.16 2.76 0.83 0.00 0.08 -1.26 -5.12 117.98 117.43 2vxx s PHE 112 Ca 0.18 -0.42 -0.12 0.00 0.12 0.00 0.00 56.93 56.70 2vxx s PHE 112 Cb -0.16 -2.36 0.09 0.00 -0.57 0.00 0.00 43.02 40.02 2vxx s PHE 112 CO 0.09 -0.42 1.11 0.54 -0.10 0.00 0.00 175.22 176.45 2vxx s ASN 113 N -4.34 4.25 0.34 1.36 6.03 -1.26 -4.80 114.94 116.51 2vxx s ASN 113 Ca 0.55 1.18 0.10 0.00 -1.03 0.00 0.00 52.86 53.66 2vxx s ASN 113 Cb -0.09 -1.86 0.62 0.00 -3.03 0.00 0.00 41.25 36.89 2vxx s ASN 113 CO 0.33 -2.11 1.79 0.00 -2.03 0.00 0.00 177.10 175.08 2vxx h ARG 115 N 0.09 0.93 -0.41 0.00 2.43 -1.99 -2.09 114.38 113.33 2vxx h ARG 115 Ca 0.01 -0.48 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 2vxx h ARG 115 Cb 0.70 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 2vxx h ARG 115 CO 0.05 1.13 0.13 1.96 -1.51 0.00 0.00 179.97 181.73 2vxx h GLN 116 N 0.75 0.65 -0.18 0.20 4.20 -1.83 -1.52 115.11 117.38 2vxx h GLN 116 Ca 0.07 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 58.65 2vxx h GLN 116 Cb 0.95 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 2vxx h GLN 116 CO 0.09 0.64 0.06 0.52 -0.67 0.00 0.00 178.83 179.47 2vxx h MET 117 N 0.53 0.15 -0.83 1.46 2.86 -1.25 -0.09 114.93 117.76 2vxx h MET 117 Ca 0.13 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 2vxx h MET 117 Cb 0.26 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 2vxx h MET 117 CO -0.00 0.10 0.38 -0.07 1.06 0.00 0.00 176.91 178.37 2vxx h LEU 118 N 0.15 1.11 -0.55 1.22 3.38 -1.32 -0.81 115.31 118.50 2vxx h LEU 118 Ca 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2vxx h LEU 118 Cb 0.05 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2vxx h LEU 118 CO -0.08 0.95 0.26 0.28 0.09 0.00 0.00 178.44 179.95 2vxx h SER 119 N 1.20 0.72 -0.77 -0.43 0.02 -0.96 0.79 113.55 114.12 2vxx h SER 119 Ca 0.28 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2vxx h SER 119 Cb 0.15 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 2vxx h SER 119 CO -0.03 0.65 0.48 0.78 -1.14 0.00 0.00 176.83 177.57 2vxx h ASN 120 N 0.74 0.91 -0.54 3.07 2.35 -0.71 -1.22 115.58 120.18 2vxx h ASN 120 Ca 0.19 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2vxx h ASN 120 Cb 0.12 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2vxx h ASN 120 CO -0.02 0.69 0.14 0.44 -1.65 0.00 0.00 177.43 177.03 2vxx h ASP 121 N 1.05 0.82 -0.22 5.81 3.32 -0.78 -1.31 116.42 125.12 2vxx h ASP 121 Ca 0.28 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2vxx h ASP 121 Cb -0.06 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 2vxx h ASP 121 CO -0.05 0.84 0.13 0.25 -1.72 0.00 0.00 179.24 178.68 2vxx h LEU 122 N 0.77 0.27 -0.70 1.55 5.85 -0.57 0.18 115.31 122.66 2vxx h LEU 122 Ca 0.17 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2vxx h LEU 122 Cb 0.34 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2vxx h LEU 122 CO 0.00 0.27 0.46 1.56 -0.34 0.00 0.00 178.44 180.39 2vxx h GLN 123 N 0.26 0.94 -0.23 1.25 4.20 -1.15 0.23 115.11 120.61 2vxx h GLN 123 Ca 0.08 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.76 2vxx h GLN 123 Cb 0.05 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 2vxx h GLN 123 CO -0.01 0.63 0.02 0.00 -0.67 0.00 0.00 178.83 178.80 2vxx h ALA 124 N 1.25 0.21 -0.70 3.87 0.00 -0.96 -0.77 119.26 122.16 2vxx h ALA 124 Ca 0.26 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2vxx h ALA 124 Cb -0.09 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2vxx h ALA 124 CO -0.05 -0.41 0.28 0.93 0.00 0.00 0.00 179.25 180.01 2vxx h GLU 125 N 0.10 1.04 -0.34 0.00 4.39 -0.51 -2.03 114.58 117.22 2vxx h GLU 125 Ca 0.11 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 2vxx h GLU 125 Cb 0.12 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2vxx h GLU 125 CO -0.16 0.84 0.02 1.96 -1.16 0.00 0.00 179.01 180.51 2vxx h GLN 126 N 1.02 0.58 -0.43 2.33 4.20 -0.61 0.40 115.11 122.61 2vxx h GLN 126 Ca 0.24 -0.17 0.03 0.00 0.06 0.00 0.00 58.65 58.81 2vxx h GLN 126 Cb 0.19 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 2vxx h GLN 126 CO -0.02 0.69 0.22 0.00 -0.67 0.00 0.00 178.83 179.04 2vxx h ALA 127 N 0.87 0.53 -0.46 3.87 0.00 -1.05 -0.33 119.26 122.69 2vxx h ALA 127 Ca 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2vxx h ALA 127 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2vxx h ALA 127 CO 0.01 -0.14 0.17 0.82 0.00 0.00 0.00 179.25 180.11 2vxx h ILE 128 N 0.43 1.21 -0.53 0.00 2.04 -1.08 -2.40 117.51 117.18 2vxx h ILE 128 Ca 0.18 -0.69 0.08 0.00 1.00 0.00 0.00 64.86 65.43 2vxx h ILE 128 Cb 0.08 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 2vxx h ILE 128 CO -0.13 0.25 0.18 0.40 0.00 0.00 0.00 178.15 178.86 2vxx h ILE 129 N 0.61 0.79 -0.40 -0.67 2.04 0.12 0.15 117.51 120.14 2vxx h ILE 129 Ca 0.15 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.98 2vxx h ILE 129 Cb 0.23 0.41 -0.09 0.00 -0.74 0.00 0.00 36.82 36.63 2vxx h ILE 129 CO -0.01 0.06 -0.19 1.23 0.00 0.00 0.00 178.15 179.24 2vxx h GLY 130 N 0.35 0.10 1.01 5.37 0.00 -0.76 -1.94 103.07 107.20 2vxx h GLY 130 Ca 0.26 0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.69 2vxx h GLY 130 CO -0.28 -0.20 -0.45 -2.08 0.00 0.00 0.00 176.54 173.54 2vxx h VAL 131 N -0.12 1.31 -0.35 4.60 2.07 -0.92 -3.05 116.25 119.78 2vxx h VAL 131 Ca 0.20 -1.66 0.07 0.00 0.82 0.00 0.00 66.70 66.14 2vxx h VAL 131 Cb 0.42 1.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 2vxx h VAL 131 CO -0.48 0.52 -0.13 -0.07 0.02 0.00 0.00 177.57 177.43 2vxx h LEU 132 N 0.43 -0.46 -0.02 2.57 3.38 -0.49 0.54 115.31 121.26 2vxx h LEU 132 Ca 0.01 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2vxx h LEU 132 Cb 1.05 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 2vxx h LEU 132 CO 0.10 -0.17 0.01 0.03 0.09 0.00 0.00 178.44 178.51 2vxx h ARG 133 N -0.06 0.03 -0.85 1.13 3.08 -1.36 0.31 114.38 116.65 2vxx h ARG 133 Ca 0.18 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 2vxx h ARG 133 Cb 0.33 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 2vxx h ARG 133 CO -0.40 0.05 0.44 0.37 -1.07 0.00 0.00 179.97 179.36 2vxx h GLN 134 N -0.01 1.21 -0.29 0.04 4.15 -1.39 0.03 115.11 118.85 2vxx h GLN 134 Ca 0.01 -0.16 -0.18 0.00 0.77 0.00 0.00 58.65 59.09 2vxx h GLN 134 Cb 0.03 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 2vxx h GLN 134 CO -0.00 0.91 -0.52 1.96 -1.93 0.00 0.00 178.83 179.25 2vxx h GLN 135 N 1.20 0.84 -0.70 1.69 1.08 -0.69 -1.07 115.11 117.47 2vxx h GLN 135 Ca 0.30 -0.52 -0.03 0.00 -1.45 0.00 0.00 58.65 56.95 2vxx h GLN 135 Cb 0.08 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 2vxx h GLN 135 CO -0.04 1.15 0.31 0.00 -0.95 0.00 0.00 178.83 179.29 2vxx h ALA 136 N 0.75 0.90 -0.20 3.87 0.00 -0.73 -1.04 119.26 122.81 2vxx h ALA 136 Ca 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2vxx h ALA 136 Cb 1.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2vxx h ALA 136 CO 0.12 0.50 0.11 1.15 0.00 0.00 0.00 179.25 181.13 2vxx h THR 137 N 0.98 1.10 -0.59 0.00 2.02 -0.87 -1.42 112.91 114.13 2vxx h THR 137 Ca 0.24 -0.25 0.07 0.00 0.77 0.00 0.00 66.41 67.23 2vxx h THR 137 Cb 0.17 0.91 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 2vxx h THR 137 CO -0.02 0.09 0.28 -0.61 0.37 0.00 0.00 175.52 175.63 2vxx h GLN 138 N 0.23 0.50 -0.42 6.66 4.15 -1.03 -1.01 115.11 124.18 2vxx h GLN 138 Ca 0.07 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 2vxx h GLN 138 Cb 0.05 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 2vxx h GLN 138 CO -0.01 0.33 0.11 0.00 -1.93 0.00 0.00 178.83 177.33 2vxx h ALA 139 N 1.35 0.56 -0.17 3.38 0.00 -0.89 -0.06 119.26 123.44 2vxx h ALA 139 Ca 0.28 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2vxx h ALA 139 Cb 0.25 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2vxx h ALA 139 CO -0.22 0.23 -0.09 0.93 0.00 0.00 0.00 179.25 180.10 2vxx h GLU 140 N 0.55 -0.07 -0.79 0.00 5.08 -1.03 -0.85 114.58 117.46 2vxx h GLU 140 Ca 0.13 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 2vxx h GLU 140 Cb 0.30 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 2vxx h GLU 140 CO 0.00 -0.05 0.52 1.03 -1.00 0.00 0.00 179.01 179.51 2vxx h SER 141 N -0.07 0.81 0.66 1.42 0.87 -0.84 -2.20 113.55 114.20 2vxx h SER 141 Ca 0.09 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2vxx h SER 141 Cb 0.21 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2vxx h SER 141 CO -0.21 0.55 -0.36 0.18 -0.53 0.00 0.00 176.83 176.45 2vxx n LEU 142 N -4.46 0.36 0.00 2.23 4.77 -0.06 -4.95 117.00 114.88 2vxx n LEU 142 Ca 0.11 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2vxx n LEU 142 Cb 0.15 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2vxx n LEU 142 CO 0.34 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2vxx n GLY 143 N 1.50 0.77 3.56 -0.72 0.00 -0.57 -4.99 105.19 104.73 2vxx n GLY 143 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2vxx n GLY 143 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vxx s ASP 144 N -2.43 6.75 0.23 1.61 -1.08 -0.43 -4.83 116.67 116.50 2vxx s ASP 144 Ca 0.00 -2.18 -0.04 0.00 -0.52 0.00 0.00 52.55 49.81 2vxx s ASP 144 Cb 0.00 -2.55 0.25 0.00 -1.46 0.00 0.00 42.92 39.16 2vxx s ASP 144 CO 0.00 -1.22 1.70 0.03 0.52 0.00 0.00 175.17 176.20 2vxx h ARG 145 N 8.26 0.83 -0.12 4.34 3.08 -1.91 -2.77 114.38 126.09 2vxx h ARG 145 Ca 0.35 -0.26 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 2vxx h ARG 145 Cb 0.92 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 2vxx h ARG 145 CO 1.41 0.88 -0.66 0.00 -1.07 0.00 0.00 179.97 180.53 2vxx h ALA 146 N 1.16 0.62 -0.28 0.04 0.00 -1.95 -2.00 119.26 116.86 2vxx h ALA 146 Ca 0.13 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2vxx h ALA 146 Cb 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2vxx h ALA 146 CO 0.03 0.73 0.08 1.15 0.00 0.00 0.00 179.25 181.23 2vxx h THR 147 N 0.35 1.21 -0.64 0.00 2.02 -1.93 -0.33 112.91 113.58 2vxx h THR 147 Ca -0.02 -0.68 0.06 0.00 0.77 0.00 0.00 66.41 66.54 2vxx h THR 147 Cb 1.23 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.71 2vxx h THR 147 CO 0.12 0.22 0.35 0.00 0.37 0.00 0.00 175.52 176.59 2vxx h ALA 148 N 0.90 0.86 0.08 6.16 0.00 -1.43 0.61 119.26 126.44 2vxx h ALA 148 Ca 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2vxx h ALA 148 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2vxx h ALA 148 CO -0.00 0.03 -0.04 -0.92 0.00 0.00 0.00 179.25 178.32 2vxx h TYR 149 N 0.66 -0.10 -0.53 0.00 5.03 -1.25 -1.17 116.97 119.61 2vxx h TYR 149 Ca 0.29 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.62 2vxx h TYR 149 Cb 0.18 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.45 2vxx h TYR 149 CO -0.08 -0.01 0.32 1.25 -1.32 0.00 0.00 178.16 178.32 2vxx h LEU 150 N -0.17 0.52 -0.70 2.82 5.85 -0.63 -0.59 115.31 122.42 2vxx h LEU 150 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2vxx h LEU 150 Cb 0.14 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2vxx h LEU 150 CO 0.02 0.37 0.45 1.88 -0.34 0.00 0.00 178.44 180.82 2vxx h TYR 151 N 0.64 0.89 -0.46 1.25 0.05 -0.81 -0.70 116.97 117.83 2vxx h TYR 151 Ca 0.21 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.01 2vxx h TYR 151 Cb 0.01 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 2vxx h TYR 151 CO -0.06 0.57 0.29 -0.44 -1.05 0.00 0.00 178.16 177.47 2vxx h ASP 152 N 0.95 0.53 -0.47 3.88 3.32 -0.71 0.59 116.42 124.52 2vxx h ASP 152 Ca 0.25 -0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.34 2vxx h ASP 152 Cb -0.09 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.27 2vxx h ASP 152 CO -0.05 0.40 0.15 -0.61 -1.72 0.00 0.00 179.24 177.40 2vxx h GLN 153 N 0.62 0.30 -0.31 3.56 4.15 -0.76 -1.00 115.11 121.67 2vxx h GLN 153 Ca 0.17 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.43 2vxx h GLN 153 Cb -0.05 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 2vxx h GLN 153 CO -0.03 0.20 -0.36 0.82 -1.93 0.00 0.00 178.83 177.52 2vxx h ILE 154 N 0.31 1.29 -0.51 2.39 2.04 -0.60 -3.13 117.51 119.29 2vxx h ILE 154 Ca 0.22 -1.52 0.03 0.00 1.00 0.00 0.00 64.86 64.59 2vxx h ILE 154 Cb 0.25 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 2vxx h ILE 154 CO -0.25 0.49 0.30 0.25 0.00 0.00 0.00 178.15 178.94 2vxx h LEU 155 N 0.59 0.48 -0.64 1.44 6.46 0.67 -1.09 115.31 123.23 2vxx h LEU 155 Ca 0.06 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.89 2vxx h LEU 155 Cb 0.89 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.67 2vxx h LEU 155 CO 0.08 0.34 0.33 0.25 -0.62 0.00 0.00 178.44 178.81 2vxx h LEU 156 N 0.59 0.46 -0.63 2.25 5.85 -1.14 0.10 115.31 122.79 2vxx h LEU 156 Ca 0.21 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.82 2vxx h LEU 156 Cb 0.04 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2vxx h LEU 156 CO -0.10 0.29 -0.53 0.11 -0.34 0.00 0.00 178.44 177.87 2vxx h LYS 157 N 0.60 0.41 -0.18 1.25 1.79 -1.51 -2.55 116.57 116.38 2vxx h LYS 157 Ca 0.29 -0.25 -0.13 0.00 -2.18 0.00 0.00 60.65 58.38 2vxx h LYS 157 Cb 0.23 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2vxx h LYS 157 CO -0.21 0.85 -0.39 1.15 -1.08 0.00 0.00 179.45 179.77 2vxx h THR 158 N 0.32 1.34 -0.80 -0.16 2.02 -0.32 -0.82 112.91 114.50 2vxx h THR 158 Ca 0.01 -1.63 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 2vxx h THR 158 Cb 1.04 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 69.33 2vxx h THR 158 CO 0.09 0.50 0.47 -0.33 0.37 0.00 0.00 175.52 176.62 2vxx h GLU 159 N 0.24 1.09 -0.59 6.66 5.08 -0.90 -1.43 114.58 124.74 2vxx h GLU 159 Ca 0.00 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2vxx h GLU 159 Cb 0.99 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2vxx h GLU 159 CO 0.09 0.78 0.35 1.49 -1.00 0.00 0.00 179.01 180.72 2vxx h GLU 160 N 1.10 0.80 -0.30 2.33 4.81 -1.21 -0.65 114.58 121.46 2vxx h GLU 160 Ca 0.29 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2vxx h GLU 160 Cb -0.02 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 2vxx h GLU 160 CO -0.05 0.58 0.19 0.00 -0.73 0.00 0.00 179.01 179.00 2vxx h ARG 161 N 0.80 0.41 -0.08 1.92 3.08 -0.96 -2.08 114.38 117.48 2vxx h ARG 161 Ca 0.21 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.26 2vxx h ARG 161 Cb -0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 2vxx h ARG 161 CO -0.04 0.30 -0.10 0.00 -1.07 0.00 0.00 179.97 179.06 2vxx h ALA 162 N 1.08 -0.05 0.00 0.04 0.00 -0.71 -1.43 119.26 118.19 2vxx h ALA 162 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2vxx h ALA 162 Cb -0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2vxx h ALA 162 CO -0.02 -0.57 0.00 0.10 0.00 0.00 0.00 179.25 178.76 2vxx h TYR 163 N -0.14 0.00 -0.37 0.00 -0.00 -1.13 -1.48 116.97 113.85 2vxx h TYR 163 Ca 0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.64 2vxx h TYR 163 Cb 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.95 2vxx h TYR 163 CO -0.20 0.00 -0.37 0.45 -0.00 0.00 0.00 178.16 178.04 2vxx h HIS 164 N 0.00 1.03 -0.24 0.10 3.86 -0.84 -2.43 115.15 116.63 2vxx h HIS 164 Ca 0.00 -0.30 -0.02 0.00 -1.16 0.00 0.00 60.37 58.90 2vxx h HIS 164 Cb 0.66 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 2vxx h HIS 164 CO 0.00 1.10 0.09 0.82 0.86 0.00 0.00 177.93 180.80 2vxx h ILE 165 N 0.71 1.18 -0.83 2.45 2.04 -0.81 -2.81 117.51 119.44 2vxx h ILE 165 Ca 0.06 -0.55 0.17 0.00 1.00 0.00 0.00 64.86 65.55 2vxx h ILE 165 Cb 0.94 1.10 -0.11 0.00 -0.74 0.00 0.00 36.82 38.01 2vxx h ILE 165 CO 0.09 0.18 0.35 1.23 0.00 0.00 0.00 178.15 180.00 2vxx h GLY 166 N 0.22 1.33 0.98 5.37 0.00 -1.22 -1.60 103.07 108.15 2vxx h GLY 166 Ca 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 2vxx h GLY 166 CO -0.01 -0.16 0.22 0.45 0.00 0.00 0.00 176.54 177.04 2vxx h HIS 167 N 0.45 0.84 -0.89 5.60 3.86 -1.26 -1.28 115.15 122.46 2vxx h HIS 167 Ca 0.48 -0.06 0.09 0.00 -1.16 0.00 0.00 60.37 59.72 2vxx h HIS 167 Cb 0.80 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.96 2vxx h HIS 167 CO -0.15 0.68 0.57 0.74 0.86 0.00 0.00 177.93 180.64 2vxx h PHE 168 N 0.75 0.96 0.00 2.45 0.04 -1.08 -2.50 116.94 117.55 2vxx h PHE 168 Ca 0.18 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.98 2vxx h PHE 168 Cb 0.20 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.04 2vxx h PHE 168 CO 0.01 0.45 -0.11 -0.07 -0.60 0.00 0.00 178.31 177.99 2vxx h LEU 169 N 0.89 0.00 -9.96 1.54 3.38 -0.67 -3.48 115.31 107.01 2vxx h LEU 169 Ca 0.41 -0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.80 2vxx h LEU 169 Cb 0.39 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.30 2vxx h LEU 169 CO -0.17 0.01 0.33 0.00 0.09 0.00 0.00 178.44 178.70 2vxx n ALA 170 N -1.98 0.72 -2.45 1.53 0.00 -0.54 -4.87 120.51 112.91 2vxx n ALA 170 Ca 0.04 0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 2vxx n ALA 170 Cb 0.49 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2vxx n ALA 170 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2vxx n ASN 171 N -1.24 4.77 -3.52 0.00 5.15 -1.26 -4.83 115.26 114.33 2vxx n ASN 171 Ca 0.14 -2.91 -0.16 0.00 -0.60 0.00 0.00 54.58 51.05 2vxx n ASN 171 Cb 0.47 -1.71 -0.05 0.00 -0.53 0.00 0.00 39.78 37.96 2vxx n ASN 171 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2vxx s ASP 172 N 3.84 -0.58 0.20 1.20 2.15 -1.26 -5.19 116.67 117.03 2vxx s ASP 172 Ca 0.51 0.41 -0.22 0.00 0.43 0.00 0.00 52.55 53.68 2vxx s ASP 172 Cb 0.05 0.54 0.07 0.00 -0.30 0.00 0.00 42.92 43.28 2vxx s ASP 172 CO 0.04 -0.72 1.00 -0.94 -0.17 0.00 0.00 175.17 174.39 2vxx s SER 173 N -1.74 -0.02 0.11 -0.34 1.04 -1.26 -5.02 113.70 106.47 2vxx s SER 173 Ca -0.07 -0.69 0.27 0.00 0.48 0.00 0.00 55.95 55.93 2vxx s SER 173 Cb -0.01 0.54 0.82 0.00 0.10 0.00 0.00 66.02 67.48 2vxx s SER 173 CO 0.02 -1.06 1.70 0.18 0.98 0.00 0.00 173.24 175.06 2vxx n LEU 174 N -0.65 0.51 -4.60 2.42 4.77 -1.26 -4.84 117.00 113.35 2vxx n LEU 174 Ca -0.04 0.43 -0.43 0.00 -0.03 0.00 0.00 56.01 55.94 2vxx n LEU 174 Cb 0.60 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2vxx n LEU 174 CO 0.21 -0.07 1.84 -0.75 -1.33 0.00 0.00 177.39 177.29 2vxx s LYS 175 N -3.07 3.12 0.00 3.23 2.47 -1.26 -5.39 119.74 118.84 2vxx s LYS 175 Ca 0.11 1.99 0.16 0.00 -1.56 0.00 0.00 55.97 56.66 2vxx s LYS 175 Cb 0.15 -4.37 0.12 0.00 -1.46 0.00 0.00 37.83 32.28 2vxx s LYS 175 CO 0.61 -2.12 0.99 1.55 0.16 0.00 0.00 175.35 176.54