#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vnx s LYS 3 N 0.00 3.99 -0.41 1.61 -0.14 -1.26 -4.60 119.74 118.93 2vnx s LYS 3 Ca 0.00 -0.10 0.02 0.00 -1.36 0.00 0.00 55.97 54.53 2vnx s LYS 3 Cb 0.00 -3.35 0.12 0.00 -1.68 0.00 0.00 37.83 32.92 2vnx s LYS 3 CO 0.00 0.43 0.17 0.45 -0.76 0.00 0.00 175.35 175.64 2vnx s SER 4 N -0.06 4.15 0.29 2.83 0.15 -0.48 -5.05 113.70 115.52 2vnx s SER 4 Ca 0.12 -2.40 -0.29 0.00 0.70 0.00 0.00 55.95 54.08 2vnx s SER 4 Cb -0.12 -1.28 -0.10 0.00 -1.71 0.00 0.00 66.02 62.82 2vnx s SER 4 CO 0.01 -0.32 1.17 -0.31 1.20 0.00 0.00 173.24 175.00 2vnx s TYR 5 N 0.60 3.42 0.68 3.44 2.02 -1.26 -4.65 117.35 121.60 2vnx s TYR 5 Ca 0.14 1.59 -0.14 0.00 -0.37 0.00 0.00 57.07 58.30 2vnx s TYR 5 Cb -0.22 -3.41 0.01 0.00 -0.40 0.00 0.00 41.96 37.94 2vnx s TYR 5 CO -0.07 -0.98 1.10 -1.25 -1.57 0.00 0.00 175.55 172.78 2vnx s PRO 6 N -1.43 2.75 0.10 -1.71 0.04 -1.26 -5.01 135.00 128.48 2vnx s PRO 6 Ca 0.46 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 2vnx s PRO 6 Cb -0.34 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 2vnx s PRO 6 CO 0.44 -1.28 1.08 0.99 0.04 0.00 0.00 177.00 178.27 2vnx s THR 7 N -2.50 4.22 0.19 1.26 2.01 -1.26 -4.89 115.64 114.67 2vnx s THR 7 Ca 0.65 1.74 0.11 0.00 0.31 0.00 0.00 61.69 64.50 2vnx s THR 7 Cb -0.19 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2vnx s THR 7 CO 0.45 0.22 -0.23 0.68 -0.69 0.00 0.00 174.62 175.05 2vnx s VAL 8 N 0.41 2.25 0.87 3.82 -7.23 -1.26 -5.04 120.40 114.22 2vnx s VAL 8 Ca 0.52 -2.03 -0.10 0.00 -1.81 0.00 0.00 61.98 58.56 2vnx s VAL 8 Cb -0.27 -2.08 0.12 0.00 0.56 0.00 0.00 36.38 34.71 2vnx s VAL 8 CO 0.31 -0.17 1.13 -0.94 -0.31 0.00 0.00 175.10 175.12 2vnx s SER 9 N -2.71 3.46 0.29 4.85 1.04 -1.26 -4.80 113.70 114.57 2vnx s SER 9 Ca 0.20 2.07 0.00 0.00 0.48 0.00 0.00 55.95 58.70 2vnx s SER 9 Cb -0.07 -2.55 0.51 0.00 0.10 0.00 0.00 66.02 64.01 2vnx s SER 9 CO 0.09 -2.74 1.88 0.00 0.98 0.00 0.00 173.24 173.45 2vnx h ALA 10 N -1.62 1.50 -0.84 5.32 0.00 -2.00 -1.36 119.26 120.25 2vnx h ALA 10 Ca -0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2vnx h ALA 10 Cb 1.26 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2vnx h ALA 10 CO 0.45 0.32 0.44 -0.44 0.00 0.00 0.00 179.25 180.02 2vnx h ASP 11 N 1.05 1.06 -0.28 0.00 3.32 -1.99 0.15 116.42 119.74 2vnx h ASP 11 Ca 0.44 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.38 2vnx h ASP 11 Cb 0.31 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2vnx h ASP 11 CO -0.20 0.87 0.17 0.22 -1.72 0.00 0.00 179.24 178.59 2vnx h TYR 12 N 1.18 0.36 -0.70 4.55 5.03 -1.67 -2.04 116.97 123.69 2vnx h TYR 12 Ca 0.29 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.61 2vnx h TYR 12 Cb 0.06 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.18 2vnx h TYR 12 CO 0.01 0.25 0.43 0.37 -1.32 0.00 0.00 178.16 177.91 2vnx h GLN 13 N 0.36 0.94 -0.72 1.82 -0.00 -0.82 -1.28 115.11 115.41 2vnx h GLN 13 Ca 0.10 -0.08 0.05 0.00 -0.00 0.00 0.00 58.65 58.72 2vnx h GLN 13 Cb -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 27.48 27.22 2vnx h GLN 13 CO -0.02 0.65 0.43 1.57 0.00 0.00 0.00 178.83 181.46 2vnx h LYS 14 N 0.95 0.80 -0.38 1.69 5.09 -0.85 -1.92 116.57 121.94 2vnx h LYS 14 Ca 0.25 -0.05 -0.10 0.00 0.09 0.00 0.00 60.65 60.84 2vnx h LYS 14 Cb -0.06 -0.18 -0.02 0.00 0.10 0.00 0.00 32.23 32.08 2vnx h LYS 14 CO -0.05 0.53 -0.18 0.00 -2.09 0.00 0.00 179.45 177.66 2vnx h ALA 15 N 1.34 0.98 -0.42 0.07 0.00 -0.77 -1.29 119.26 119.17 2vnx h ALA 15 Ca 0.30 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2vnx h ALA 15 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2vnx h ALA 15 CO -0.15 0.60 0.24 0.28 0.00 0.00 0.00 179.25 180.23 2vnx h VAL 16 N 0.64 1.04 -0.44 0.00 2.07 -0.80 0.16 116.25 118.91 2vnx h VAL 16 Ca 0.10 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 2vnx h VAL 16 Cb 0.65 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2vnx h VAL 16 CO 0.05 0.09 -0.00 -0.33 0.02 0.00 0.00 177.57 177.39 2vnx h GLU 17 N 0.49 0.78 -0.47 1.57 4.39 -0.97 -0.07 114.58 120.29 2vnx h GLU 17 Ca 0.17 -0.25 -0.12 0.00 0.34 0.00 0.00 59.36 59.50 2vnx h GLU 17 Cb 0.01 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2vnx h GLU 17 CO -0.08 0.85 -0.16 -0.22 -1.16 0.00 0.00 179.01 178.24 2vnx h LYS 18 N 0.62 0.95 -0.44 2.33 1.63 -1.12 -2.80 116.57 117.74 2vnx h LYS 18 Ca 0.12 -0.38 -0.07 0.00 -0.85 0.00 0.00 60.65 59.47 2vnx h LYS 18 Cb 0.50 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 2vnx h LYS 18 CO 0.02 1.05 0.00 0.00 -3.45 0.00 0.00 179.45 177.07 2vnx h ALA 19 N 0.87 1.18 -0.40 5.00 0.00 -0.49 -1.78 119.26 123.64 2vnx h ALA 19 Ca 0.11 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2vnx h ALA 19 Cb 0.72 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2vnx h ALA 19 CO 0.06 0.54 0.22 -0.22 0.00 0.00 0.00 179.25 179.85 2vnx h LYS 20 N 0.68 0.44 0.11 0.00 3.64 -0.85 0.22 116.57 120.80 2vnx h LYS 20 Ca 0.14 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2vnx h LYS 20 Cb 0.42 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2vnx h LYS 20 CO 0.02 0.29 -0.05 0.87 -2.27 0.00 0.00 179.45 178.31 2vnx h LYS 21 N 0.45 -0.14 -0.91 1.90 1.57 -1.25 -1.72 116.57 116.48 2vnx h LYS 21 Ca 0.16 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2vnx h LYS 21 Cb 0.03 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2vnx h LYS 21 CO -0.09 -0.09 0.53 0.87 -0.57 0.00 0.00 179.45 180.10 2vnx h LYS 22 N -0.15 1.25 -0.77 3.15 1.79 -1.02 -1.95 116.57 118.88 2vnx h LYS 22 Ca -0.01 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 2vnx h LYS 22 Cb 0.12 -0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 30.47 2vnx h LYS 22 CO 0.02 0.90 0.38 -0.07 -1.08 0.00 0.00 179.45 179.60 2vnx h LEU 23 N 1.27 0.98 0.14 2.94 3.38 -0.44 -1.10 115.31 122.48 2vnx h LEU 23 Ca 0.32 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.21 2vnx h LEU 23 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2vnx h LEU 23 CO -0.06 0.81 -0.26 0.03 0.09 0.00 0.00 178.44 179.06 2vnx h ARG 24 N 1.08 -0.46 -0.51 1.13 3.08 -0.54 0.41 114.38 118.57 2vnx h ARG 24 Ca 0.27 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 2vnx h ARG 24 Cb 0.08 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2vnx h ARG 24 CO -0.04 -0.31 0.31 0.78 -1.07 0.00 0.00 179.97 179.65 2vnx h GLY 25 N -0.48 0.74 0.82 0.04 0.00 -1.28 -1.00 103.07 101.91 2vnx h GLY 25 Ca 0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 2vnx h GLY 25 CO -0.13 0.30 -0.03 -2.75 0.00 0.00 0.00 176.54 173.92 2vnx h PHE 26 N 0.68 0.44 -0.44 5.60 3.57 -1.05 -0.87 116.94 124.87 2vnx h PHE 26 Ca 0.18 -0.09 -0.14 0.00 3.53 0.00 0.00 57.97 61.46 2vnx h PHE 26 Cb -0.02 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2vnx h PHE 26 CO -0.03 0.62 -0.27 0.82 -2.23 0.00 0.00 178.31 177.23 2vnx h ILE 27 N 0.13 1.27 -0.27 1.41 2.04 -0.82 -0.73 117.51 120.54 2vnx h ILE 27 Ca 0.06 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 2vnx h ILE 27 Cb 0.47 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2vnx h ILE 27 CO 0.02 0.49 0.11 0.00 0.00 0.00 0.00 178.15 178.76 2vnx h ALA 28 N 0.89 0.35 -0.51 1.87 0.00 -1.14 -1.86 119.26 118.86 2vnx h ALA 28 Ca 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2vnx h ALA 28 Cb 0.84 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2vnx h ALA 28 CO 0.07 -0.05 0.13 1.49 0.00 0.00 0.00 179.25 180.89 2vnx h GLU 29 N 0.28 0.82 -0.00 0.00 4.22 -0.94 -2.92 114.58 116.04 2vnx h GLU 29 Ca 0.09 -0.19 0.00 0.00 0.08 0.00 0.00 59.36 59.34 2vnx h GLU 29 Cb 0.18 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2vnx h GLU 29 CO -0.01 0.78 -0.05 1.17 -2.18 0.00 0.00 179.01 178.72 2vnx n LYS 30 N -4.45 0.02 -2.76 1.92 3.00 -0.30 -4.92 118.16 110.67 2vnx n LYS 30 Ca 0.02 -0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.12 2vnx n LYS 30 Cb 0.22 -1.50 0.02 0.00 0.00 0.00 0.00 35.03 33.77 2vnx n LYS 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2vnx n ARG 31 N -1.49 -3.52 -0.37 1.64 1.74 -0.72 -4.91 116.66 109.04 2vnx n ARG 31 Ca 0.07 0.88 0.08 0.00 -0.77 0.00 0.00 57.85 58.12 2vnx n ARG 31 Cb 0.34 -5.55 0.23 0.00 -1.02 0.00 0.00 32.46 26.45 2vnx n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vnx h ALA 33 N 1.53 0.68 -0.61 0.00 0.00 -1.91 -1.10 119.26 117.84 2vnx h ALA 33 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2vnx h ALA 33 Cb 1.32 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2vnx h ALA 33 CO 0.17 -0.26 0.29 -1.35 0.00 0.00 0.00 179.25 178.10 2vnx h PRO 34 N 0.31 0.89 -0.33 0.00 0.11 -1.89 0.03 132.00 131.12 2vnx h PRO 34 Ca 0.28 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 2vnx h PRO 34 Cb 0.37 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 2vnx h PRO 34 CO -0.33 0.72 -0.01 1.25 -0.21 0.00 0.00 178.00 179.43 2vnx h LEU 35 N 0.84 0.48 -0.49 2.35 5.85 -1.80 -0.58 115.31 121.97 2vnx h LEU 35 Ca 0.21 -0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.67 2vnx h LEU 35 Cb 0.13 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2vnx h LEU 35 CO -0.03 0.55 -0.59 0.24 -0.34 0.00 0.00 178.44 178.27 2vnx h MET 36 N 0.49 0.52 -0.40 1.25 2.86 -0.56 -0.33 114.93 118.76 2vnx h MET 36 Ca 0.11 -0.35 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 2vnx h MET 36 Cb 0.33 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2vnx h MET 36 CO 0.01 0.96 -0.09 1.25 1.06 0.00 0.00 176.91 180.10 2vnx h LEU 37 N 0.39 0.77 -0.55 1.22 5.85 -0.59 -1.46 115.31 120.94 2vnx h LEU 37 Ca -0.00 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.40 2vnx h LEU 37 Cb 1.14 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 2vnx h LEU 37 CO 0.11 0.95 0.29 -0.09 -0.34 0.00 0.00 178.44 179.36 2vnx h ARG 38 N 0.58 0.55 -0.44 1.25 2.43 -0.95 -1.23 114.38 116.55 2vnx h ARG 38 Ca 0.10 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2vnx h ARG 38 Cb 0.61 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 2vnx h ARG 38 CO 0.04 0.36 0.19 1.25 -1.51 0.00 0.00 179.97 180.30 2vnx h LEU 39 N 0.56 0.25 -0.30 3.80 5.85 -0.80 -1.04 115.31 123.63 2vnx h LEU 39 Ca 0.24 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2vnx h LEU 39 Cb 0.13 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2vnx h LEU 39 CO -0.15 0.18 0.19 0.00 -0.34 0.00 0.00 178.44 178.32 2vnx h ALA 40 N 1.26 0.39 -0.35 1.25 0.00 -0.89 -0.33 119.26 120.59 2vnx h ALA 40 Ca 0.20 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2vnx h ALA 40 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2vnx h ALA 40 CO -0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 179.25 178.89 2vnx h ALA 41 N 1.08 1.23 0.00 0.00 0.00 -0.97 -2.58 119.26 118.02 2vnx h ALA 41 Ca 0.11 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 2vnx h ALA 41 Cb -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2vnx h ALA 41 CO -0.02 0.51 -0.93 0.45 0.00 0.00 0.00 179.25 179.25 2vnx h HIS 42 N 0.54 0.00 -0.41 0.00 -0.00 -0.91 0.40 115.15 114.77 2vnx h HIS 42 Ca 0.10 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.50 2vnx h HIS 42 Cb 0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.84 2vnx h HIS 42 CO 0.02 0.93 0.22 1.03 -0.00 0.00 0.00 177.93 180.13 2vnx h SER 43 N 0.00 0.33 0.68 2.45 0.87 -0.91 -3.29 113.55 113.69 2vnx h SER 43 Ca -0.01 0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.30 2vnx h SER 43 Cb 1.65 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.55 2vnx h SER 43 CO 0.12 0.24 -1.30 0.00 -0.53 0.00 0.00 176.83 175.36 2vnx h ALA 44 N 1.20 0.30 0.00 6.23 0.00 -1.22 -2.94 119.26 122.83 2vnx h ALA 44 Ca 0.17 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2vnx h ALA 44 Cb 0.05 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2vnx h ALA 44 CO -0.10 1.17 0.00 0.78 0.00 0.00 0.00 179.25 181.10 2vnx h GLY 45 N 2.25 0.00 0.77 0.00 0.00 -0.27 -2.61 103.07 103.21 2vnx h GLY 45 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2vnx h GLY 45 CO 0.16 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.40 2vnx n THR 46 N -2.74 0.00 -2.03 4.70 -2.24 -1.26 -4.73 114.28 105.98 2vnx n THR 46 Ca -0.02 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 2vnx n THR 46 Cb 0.08 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 67.91 2vnx n THR 46 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2vnx s PHE 47 N -2.00 3.11 -0.25 4.78 5.36 -0.98 -3.82 117.98 124.18 2vnx s PHE 47 Ca 0.42 0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 57.25 2vnx s PHE 47 Cb 0.19 -3.81 0.03 0.00 -0.34 0.00 0.00 43.02 39.09 2vnx s PHE 47 CO 0.32 -2.84 -0.08 0.34 -1.46 0.00 0.00 175.22 171.51 2vnx s ASP 48 N 0.84 4.28 0.28 6.13 2.15 -0.07 -3.38 116.67 126.90 2vnx s ASP 48 Ca 0.65 -0.98 0.02 0.00 0.43 0.00 0.00 52.55 52.67 2vnx s ASP 48 Cb -0.41 -1.63 0.40 0.00 -0.30 0.00 0.00 42.92 40.97 2vnx s ASP 48 CO 0.35 -0.14 1.72 0.07 -0.17 0.00 0.00 175.17 177.00 2vnx h LYS 49 N 7.96 0.51 -0.64 4.34 2.10 -0.53 0.13 116.57 130.45 2vnx h LYS 49 Ca -0.31 -0.19 -0.04 0.00 -2.00 0.00 0.00 60.65 58.12 2vnx h LYS 49 Cb 1.09 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 32.36 2vnx h LYS 49 CO 0.56 0.71 0.26 0.78 -2.00 0.00 0.00 179.45 179.76 2vnx h GLY 50 N 1.01 1.00 0.00 0.07 0.00 -1.84 -3.12 103.07 100.19 2vnx h GLY 50 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2vnx h GLY 50 CO 0.05 0.49 -0.93 -1.30 0.00 0.00 0.00 176.54 174.85 2vnx n THR 51 N -4.31 0.00 -3.47 4.70 -2.24 -1.16 -5.00 114.28 102.80 2vnx n THR 51 Ca 0.06 -0.16 -0.22 0.00 -2.27 0.00 0.00 64.05 61.45 2vnx n THR 51 Cb 0.17 0.86 0.07 0.00 -2.10 0.00 0.00 70.33 69.33 2vnx n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2vnx n LYS 52 N -1.50 -7.18 -4.38 -0.78 5.02 0.45 -5.02 118.16 104.78 2vnx n LYS 52 Ca 0.02 0.78 -0.24 0.00 -2.02 0.00 0.00 58.31 56.84 2vnx n LYS 52 Cb 0.28 -5.64 -0.09 0.00 -0.02 0.00 0.00 35.03 29.56 2vnx n LYS 52 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2vnx s THR 53 N -3.28 2.93 0.00 -0.18 -4.23 -1.11 -4.96 115.64 104.81 2vnx s THR 53 Ca 0.52 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 2vnx s THR 53 Cb -0.23 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2vnx s THR 53 CO 0.65 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 2vnx n GLY 54 N -0.55 0.07 0.53 3.99 0.00 -1.26 -0.89 105.19 107.07 2vnx n GLY 54 Ca -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2vnx n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vnx n GLY 55 N 0.00 -2.82 2.48 -0.02 0.00 -1.25 -4.61 105.19 98.97 2vnx n GLY 55 Ca 0.00 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 2vnx n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vnx n PRO 56 N -0.06 2.78 -0.66 1.61 -0.04 -1.11 -4.40 135.00 133.12 2vnx n PRO 56 Ca 0.00 -1.77 0.03 0.00 -0.04 0.00 0.00 63.50 61.72 2vnx n PRO 56 Cb 0.00 -2.59 0.21 0.00 -0.04 0.00 0.00 33.50 31.07 2vnx n PRO 56 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2vnx n PHE 57 N 3.91 0.27 -0.95 0.54 3.72 -1.26 -4.75 117.46 118.94 2vnx n PHE 57 Ca 0.59 -1.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.46 2vnx n PHE 57 Cb 0.18 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 2vnx n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vnx n GLY 58 N -1.12 0.54 0.27 1.37 0.00 -1.26 -1.87 105.19 103.12 2vnx n GLY 58 Ca 0.23 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.41 2vnx n GLY 58 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2vnx h THR 59 N 0.00 0.00 0.00 2.61 1.35 -1.86 -2.82 112.91 112.20 2vnx h THR 59 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2vnx h THR 59 Cb 0.14 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2vnx h THR 59 CO 0.00 0.00 0.00 -0.29 -0.25 0.00 0.00 175.52 174.98 2vnx h ILE 60 N 0.00 0.00 -0.20 6.82 6.09 -1.92 0.18 117.51 128.49 2vnx h ILE 60 Ca -0.00 -0.14 -0.02 0.00 -1.37 0.00 0.00 64.86 63.33 2vnx h ILE 60 Cb 0.57 0.94 -0.01 0.00 0.47 0.00 0.00 36.82 38.79 2vnx h ILE 60 CO 0.00 0.00 0.03 0.50 -3.07 0.00 0.00 178.15 175.61 2vnx h LYS 61 N 0.00 0.28 -6.46 2.19 3.64 -1.92 -3.38 116.57 110.92 2vnx h LYS 61 Ca 0.00 -0.03 -0.53 0.00 -1.27 0.00 0.00 60.65 58.81 2vnx h LYS 61 Cb 0.16 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2vnx h LYS 61 CO 0.00 0.27 0.88 -1.01 -2.27 0.00 0.00 179.45 177.33 2vnx s HIS 62 N -5.07 2.78 0.39 1.91 3.76 0.05 -4.90 115.29 114.22 2vnx s HIS 62 Ca -0.06 0.63 0.20 0.00 -0.15 0.00 0.00 55.06 55.68 2vnx s HIS 62 Cb 0.16 -3.81 1.19 0.00 1.11 0.00 0.00 32.58 31.23 2vnx s HIS 62 CO 0.72 -3.10 1.69 -1.35 -0.85 0.00 0.00 174.74 171.84 2vnx h PRO 63 N 7.71 0.27 -0.56 8.40 0.11 -1.87 -0.51 132.00 145.55 2vnx h PRO 63 Ca -0.41 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 2vnx h PRO 63 Cb 1.20 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2vnx h PRO 63 CO 0.91 0.18 0.31 0.00 -0.21 0.00 0.00 178.00 179.19 2vnx h ALA 64 N 1.70 1.49 0.14 -0.75 0.00 -1.92 -0.60 119.26 119.31 2vnx h ALA 64 Ca 0.71 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 55.24 2vnx h ALA 64 Cb 1.89 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2vnx h ALA 64 CO -0.45 0.43 -1.42 1.49 0.00 0.00 0.00 179.25 179.30 2vnx h GLU 65 N 0.78 0.29 0.00 0.00 4.81 -1.39 -3.26 114.58 115.80 2vnx h GLU 65 Ca 0.20 -0.49 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 2vnx h GLU 65 Cb 0.02 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2vnx h GLU 65 CO -0.03 1.19 -0.08 -0.07 -0.73 0.00 0.00 179.01 179.29 2vnx h LEU 66 N 0.08 0.00 -0.37 1.64 3.38 -0.93 -2.58 115.31 116.53 2vnx h LEU 66 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2vnx h LEU 66 Cb 2.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 2vnx h LEU 66 CO 0.19 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.79 2vnx h ALA 67 N 1.92 1.00 -2.18 1.53 0.00 -1.16 -3.40 119.26 116.97 2vnx h ALA 67 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 2vnx h ALA 67 Cb 0.15 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.00 2vnx h ALA 67 CO 0.01 0.00 0.71 0.72 0.00 0.00 0.00 179.25 180.69 2vnx n HIS 68 N -2.66 2.12 0.02 0.00 8.25 -0.97 -4.85 115.22 117.12 2vnx n HIS 68 Ca 0.04 0.36 0.11 0.00 -0.26 0.00 0.00 57.72 57.97 2vnx n HIS 68 Cb 0.41 -2.49 0.55 0.00 1.12 0.00 0.00 29.99 29.57 2vnx n HIS 68 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2vnx h SER 69 N 5.43 0.24 0.16 0.41 4.64 -1.90 0.32 113.55 122.86 2vnx h SER 69 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 2vnx h SER 69 Cb 1.27 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2vnx h SER 69 CO 0.85 0.16 -0.07 0.00 -0.87 0.00 0.00 176.83 176.89 2vnx h ALA 70 N 1.78 1.49 -0.51 5.18 0.00 -1.93 -2.62 119.26 122.65 2vnx h ALA 70 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2vnx h ALA 70 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2vnx h ALA 70 CO -0.04 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.39 2vnx n ASN 71 N -3.89 3.65 -4.65 0.00 3.02 0.10 -4.97 115.26 108.53 2vnx n ASN 71 Ca -0.02 -2.29 -0.53 0.00 -0.03 0.00 0.00 54.58 51.70 2vnx n ASN 71 Cb 0.16 -0.49 -0.06 0.00 -0.61 0.00 0.00 39.78 38.79 2vnx n ASN 71 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2vnx n ASN 72 N 0.86 2.25 0.00 6.41 5.03 -0.99 -1.25 115.26 127.57 2vnx n ASN 72 Ca 0.20 1.08 0.00 0.00 0.87 0.00 0.00 54.58 56.73 2vnx n ASN 72 Cb 0.68 -1.21 0.00 0.00 -1.02 0.00 0.00 39.78 38.23 2vnx n ASN 72 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2vnx n GLY 73 N 3.43 3.38 0.23 7.41 0.00 -1.26 -4.78 105.19 113.60 2vnx n GLY 73 Ca 0.22 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.40 2vnx n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2vnx h LEU 74 N 0.00 0.00 -1.58 0.99 3.38 -1.52 -2.24 115.31 114.34 2vnx h LEU 74 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2vnx h LEU 74 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2vnx h LEU 74 CO 0.00 0.00 0.30 -2.24 0.09 0.00 0.00 178.44 176.59 2vnx h ASP 75 N 0.00 0.48 -0.29 -0.43 2.03 -1.89 -1.39 116.42 114.94 2vnx h ASP 75 Ca 0.00 -0.01 0.01 0.00 -0.73 0.00 0.00 57.03 56.30 2vnx h ASP 75 Cb 0.38 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 38.74 2vnx h ASP 75 CO 0.00 0.34 0.18 0.40 -1.03 0.00 0.00 179.24 179.14 2vnx h ILE 76 N 0.57 1.06 -0.29 4.15 2.04 -1.80 -0.73 117.51 122.50 2vnx h ILE 76 Ca 0.17 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2vnx h ILE 76 Cb -0.01 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2vnx h ILE 76 CO -0.04 0.07 0.18 0.00 0.00 0.00 0.00 178.15 178.36 2vnx h ALA 77 N 1.12 0.37 -0.47 1.87 0.00 -1.45 0.51 119.26 121.20 2vnx h ALA 77 Ca 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2vnx h ALA 77 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2vnx h ALA 77 CO -0.04 -0.19 0.25 0.28 0.00 0.00 0.00 179.25 179.56 2vnx h VAL 78 N 0.37 1.17 -0.47 0.00 2.07 -1.15 -2.29 116.25 115.95 2vnx h VAL 78 Ca 0.11 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2vnx h VAL 78 Cb -0.02 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2vnx h VAL 78 CO -0.04 0.18 0.22 -0.09 0.02 0.00 0.00 177.57 177.87 2vnx h ARG 79 N 0.62 0.68 -0.74 1.57 2.43 -0.85 -2.67 114.38 115.42 2vnx h ARG 79 Ca 0.16 -0.10 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 2vnx h ARG 79 Cb 0.07 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 2vnx h ARG 79 CO -0.02 0.57 0.48 -0.07 -1.51 0.00 0.00 179.97 179.42 2vnx h LEU 80 N 0.62 0.67 0.00 3.80 3.38 -0.63 -2.68 115.31 120.46 2vnx h LEU 80 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2vnx h LEU 80 Cb 0.12 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2vnx h LEU 80 CO -0.02 0.43 -0.25 -0.07 0.09 0.00 0.00 178.44 178.62 2vnx h LEU 81 N 0.76 0.00 -0.30 1.67 3.38 -1.11 -3.39 115.31 116.32 2vnx h LEU 81 Ca 0.32 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.25 2vnx h LEU 81 Cb 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2vnx h LEU 81 CO -0.11 0.03 0.15 -0.33 0.09 0.00 0.00 178.44 178.27 2vnx h GLU 82 N 0.00 0.30 -0.70 1.13 4.39 -1.15 -0.22 114.58 118.33 2vnx h GLU 82 Ca 0.00 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.71 2vnx h GLU 82 Cb 0.82 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 2vnx h GLU 82 CO 0.00 0.20 0.43 -1.35 -1.16 0.00 0.00 179.01 177.13 2vnx h PRO 83 N 0.31 0.82 -0.27 2.33 0.11 -1.76 -1.59 132.00 131.94 2vnx h PRO 83 Ca 0.13 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.04 2vnx h PRO 83 Cb 0.05 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 2vnx h PRO 83 CO -0.09 0.54 -0.43 1.25 -0.21 0.00 0.00 178.00 179.07 2vnx h LEU 84 N 0.85 0.72 -1.17 2.35 5.85 -1.75 -2.92 115.31 119.22 2vnx h LEU 84 Ca 0.28 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2vnx h LEU 84 Cb 0.03 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 2vnx h LEU 84 CO -0.11 1.05 0.56 0.50 -0.34 0.00 0.00 178.44 180.10 2vnx h LYS 85 N 0.54 1.07 0.00 1.25 1.63 -0.71 -1.49 116.57 118.86 2vnx h LYS 85 Ca 0.04 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2vnx h LYS 85 Cb 0.96 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 32.35 2vnx h LYS 85 CO 0.09 0.71 -0.03 0.00 -3.45 0.00 0.00 179.45 176.77 2vnx h ALA 86 N 1.49 1.14 0.00 5.00 0.00 -1.10 0.66 119.26 126.45 2vnx h ALA 86 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2vnx h ALA 86 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2vnx h ALA 86 CO -0.09 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.59 2vnx n GLU 87 N -3.32 0.12 -3.14 0.00 1.02 -0.56 -4.06 120.64 110.70 2vnx n GLU 87 Ca -0.02 0.18 -0.23 0.00 -0.02 0.00 0.00 57.16 57.06 2vnx n GLU 87 Cb 0.15 -1.66 -0.05 0.00 -0.02 0.00 0.00 31.44 29.86 2vnx n GLU 87 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2vnx n PHE 88 N -1.87 1.97 0.21 -0.32 3.72 0.22 -4.94 117.46 116.45 2vnx n PHE 88 Ca 0.05 -3.89 0.13 0.00 -0.05 0.00 0.00 57.45 53.68 2vnx n PHE 88 Cb 0.33 -0.45 0.71 0.00 -0.94 0.00 0.00 39.48 39.12 2vnx n PHE 88 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2vnx h PRO 89 N 3.34 0.00 0.00 -1.08 0.13 -1.70 -2.21 132.00 130.48 2vnx h PRO 89 Ca 0.12 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 2vnx h PRO 89 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 2vnx h PRO 89 CO 0.66 0.00 -0.27 0.97 -0.23 0.00 0.00 178.00 179.13 2vnx h ILE 90 N 0.00 0.91 -3.83 -3.56 2.10 -1.92 -3.44 117.51 107.77 2vnx h ILE 90 Ca 0.06 -1.04 -0.49 0.00 1.08 0.00 0.00 64.86 64.48 2vnx h ILE 90 Cb 0.26 1.61 -0.00 0.00 -1.09 0.00 0.00 36.82 37.60 2vnx h ILE 90 CO -0.00 0.26 0.40 -0.76 -1.08 0.00 0.00 178.15 176.97 2vnx s LEU 91 N -7.60 4.48 0.55 2.19 1.43 -0.83 -5.03 118.68 113.86 2vnx s LEU 91 Ca -0.02 2.04 -0.19 0.00 -1.03 0.00 0.00 54.13 54.93 2vnx s LEU 91 Cb 0.13 -3.78 -0.06 0.00 0.03 0.00 0.00 46.19 42.51 2vnx s LEU 91 CO 0.66 -0.07 1.13 -0.94 0.23 0.00 0.00 176.35 177.36 2vnx s SER 92 N -1.23 5.69 0.28 2.29 1.04 -1.26 -4.91 113.70 115.60 2vnx s SER 92 Ca 0.46 2.19 -0.01 0.00 0.48 0.00 0.00 55.95 59.07 2vnx s SER 92 Cb -0.26 -2.58 0.45 0.00 0.10 0.00 0.00 66.02 63.73 2vnx s SER 92 CO 0.33 -1.24 1.90 1.88 0.98 0.00 0.00 173.24 177.09 2vnx h TYR 93 N 1.18 1.14 -0.11 5.02 -1.99 -1.95 -0.48 116.97 119.78 2vnx h TYR 93 Ca -0.50 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.30 2vnx h TYR 93 Cb 1.26 -0.38 -0.05 0.00 2.00 0.00 0.00 36.73 39.57 2vnx h TYR 93 CO 0.51 0.60 -0.17 0.00 -0.00 0.00 0.00 178.16 179.10 2vnx h ALA 94 N 1.47 -0.12 -0.44 3.88 0.00 -1.86 0.70 119.26 122.90 2vnx h ALA 94 Ca 0.41 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 2vnx h ALA 94 Cb 0.16 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2vnx h ALA 94 CO -0.16 -0.63 0.18 -0.44 0.00 0.00 0.00 179.25 178.21 2vnx h ASP 95 N -0.23 0.60 -0.49 0.00 3.32 -1.74 -2.78 116.42 115.10 2vnx h ASP 95 Ca 0.09 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.02 2vnx h ASP 95 Cb 0.36 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2vnx h ASP 95 CO -0.25 0.59 0.26 0.15 -1.72 0.00 0.00 179.24 178.28 2vnx h PHE 96 N 0.57 0.49 -0.46 4.55 3.57 -0.35 0.10 116.94 125.41 2vnx h PHE 96 Ca 0.15 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.55 2vnx h PHE 96 Cb 0.17 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2vnx h PHE 96 CO -0.00 0.25 -0.19 1.88 -2.23 0.00 0.00 178.31 178.02 2vnx h TYR 97 N 0.52 1.03 -0.29 0.41 0.05 -0.88 -0.42 116.97 117.38 2vnx h TYR 97 Ca 0.21 -0.23 -0.12 0.00 0.05 0.00 0.00 58.73 58.64 2vnx h TYR 97 Cb 0.09 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 2vnx h TYR 97 CO -0.09 1.02 -0.31 1.96 -1.05 0.00 0.00 178.16 179.68 2vnx h GLN 98 N 0.80 0.62 -0.60 4.88 1.08 -1.17 -1.93 115.11 118.78 2vnx h GLN 98 Ca 0.11 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 2vnx h GLN 98 Cb 0.74 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.12 2vnx h GLN 98 CO 0.06 0.85 0.29 1.25 -0.95 0.00 0.00 178.83 180.33 2vnx h LEU 99 N 0.53 0.79 -0.99 1.46 5.85 -0.57 -1.33 115.31 121.04 2vnx h LEU 99 Ca 0.06 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2vnx h LEU 99 Cb 0.80 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 2vnx h LEU 99 CO 0.07 0.70 0.64 0.00 -0.34 0.00 0.00 178.44 179.51 2vnx h ALA 100 N 1.12 1.33 -0.47 1.25 0.00 -0.82 0.22 119.26 121.90 2vnx h ALA 100 Ca 0.21 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2vnx h ALA 100 Cb 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2vnx h ALA 100 CO -0.03 0.51 0.11 0.78 0.00 0.00 0.00 179.25 180.62 2vnx h GLY 101 N 1.22 0.80 0.99 0.00 0.00 -0.89 0.11 103.07 105.31 2vnx h GLY 101 Ca 0.40 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2vnx h GLY 101 CO -0.14 0.47 0.29 -2.08 0.00 0.00 0.00 176.54 175.08 2vnx h VAL 102 N 0.63 1.14 -0.58 4.60 2.07 -0.71 -2.69 116.25 120.70 2vnx h VAL 102 Ca 0.15 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 2vnx h VAL 102 Cb 0.32 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2vnx h VAL 102 CO 0.00 0.14 0.02 0.58 0.02 0.00 0.00 177.57 178.32 2vnx h VAL 103 N 0.62 1.26 -0.82 2.57 2.07 -0.77 -1.81 116.25 119.37 2vnx h VAL 103 Ca 0.17 -1.10 0.09 0.00 0.82 0.00 0.00 66.70 66.68 2vnx h VAL 103 Cb -0.03 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 2vnx h VAL 103 CO -0.03 0.40 0.47 0.00 0.02 0.00 0.00 177.57 178.42 2vnx h ALA 104 N 1.09 1.16 -0.29 1.67 0.00 -0.58 0.13 119.26 122.44 2vnx h ALA 104 Ca 0.17 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2vnx h ALA 104 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2vnx h ALA 104 CO 0.02 0.10 -0.11 0.28 0.00 0.00 0.00 179.25 179.55 2vnx h VAL 105 N 0.79 1.29 -0.05 0.00 2.07 -1.19 -3.07 116.25 116.10 2vnx h VAL 105 Ca 0.39 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 2vnx h VAL 105 Cb 0.34 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2vnx h VAL 105 CO -0.24 0.38 0.02 -0.08 0.02 0.00 0.00 177.57 177.67 2vnx h GLU 106 N 0.35 0.07 0.00 1.57 4.81 -0.51 0.16 114.58 121.03 2vnx h GLU 106 Ca 0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2vnx h GLU 106 Cb 0.62 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2vnx h GLU 106 CO 0.04 0.22 0.00 -0.39 -0.73 0.00 0.00 179.01 178.15 2vnx h VAL 107 N -0.09 0.00 -0.19 0.32 -1.51 -0.83 -1.29 116.25 112.66 2vnx h VAL 107 Ca 0.02 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 2vnx h VAL 107 Cb 0.18 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2vnx h VAL 107 CO -0.00 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 176.69 2vnx n THR 108 N -2.95 0.24 -0.05 7.19 -2.24 -1.16 -4.92 114.28 110.39 2vnx n THR 108 Ca 0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2vnx n THR 108 Cb 0.28 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 2vnx n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vnx n GLY 109 N 1.15 0.89 2.40 3.38 0.00 -0.49 -0.44 105.19 112.07 2vnx n GLY 109 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 2vnx n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vnx n GLY 110 N -2.04 -1.06 3.73 -0.02 0.00 0.56 -4.80 105.19 101.56 2vnx n GLY 110 Ca 0.00 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 2vnx n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2vnx s PRO 111 N -4.70 1.57 -0.54 1.61 0.04 -1.26 -4.56 135.00 127.16 2vnx s PRO 111 Ca 0.46 1.03 -0.24 0.00 0.04 0.00 0.00 61.00 62.29 2vnx s PRO 111 Cb -0.01 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.74 2vnx s PRO 111 CO 0.32 -2.08 0.93 -1.21 0.04 0.00 0.00 177.00 175.00 2vnx s GLU 112 N -4.88 3.35 -0.18 4.56 2.02 -1.26 -4.30 118.70 118.01 2vnx s GLU 112 Ca 0.63 -0.23 -0.25 0.00 0.02 0.00 0.00 54.97 55.14 2vnx s GLU 112 Cb -0.18 -4.04 -0.01 0.00 0.10 0.00 0.00 34.13 30.00 2vnx s GLU 112 CO 0.57 -1.45 0.85 0.08 0.02 0.00 0.00 175.26 175.33 2vnx s VAL 113 N 3.89 4.86 0.38 2.63 1.01 -1.26 -5.00 120.40 126.91 2vnx s VAL 113 Ca 0.31 1.66 -0.27 0.00 0.00 0.00 0.00 61.98 63.68 2vnx s VAL 113 Cb -0.12 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 2vnx s VAL 113 CO 0.20 0.01 1.24 -2.65 0.00 0.00 0.00 175.10 173.90 2vnx n PRO 114 N 5.35 1.93 -4.67 2.72 -0.02 -1.26 -5.00 135.00 134.05 2vnx n PRO 114 Ca 0.05 0.68 -0.27 0.00 -2.02 0.00 0.00 63.50 61.94 2vnx n PRO 114 Cb 0.49 -2.30 -0.17 0.00 -0.02 0.00 0.00 33.50 31.50 2vnx n PRO 114 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2vnx s PHE 115 N -1.16 1.79 -0.11 6.00 5.36 -1.26 -4.81 117.98 123.79 2vnx s PHE 115 Ca 0.59 -0.73 0.03 0.00 -0.96 0.00 0.00 56.93 55.86 2vnx s PHE 115 Cb -0.55 -1.28 0.01 0.00 -0.34 0.00 0.00 43.02 40.86 2vnx s PHE 115 CO 0.60 -0.35 -0.20 -1.01 -1.46 0.00 0.00 175.22 172.79 2vnx s HIS 116 N 0.69 2.36 0.73 10.12 3.76 -1.26 -5.14 115.29 126.56 2vnx s HIS 116 Ca -0.13 -1.06 -0.12 0.00 -0.15 0.00 0.00 55.06 53.60 2vnx s HIS 116 Cb -0.16 -1.62 0.03 0.00 1.11 0.00 0.00 32.58 31.95 2vnx s HIS 116 CO 0.03 -0.48 1.12 -1.25 -0.85 0.00 0.00 174.74 173.31 2vnx s PRO 117 N 0.66 2.61 0.00 8.40 0.04 -1.26 -4.76 135.00 140.68 2vnx s PRO 117 Ca -0.12 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.30 2vnx s PRO 117 Cb -0.16 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2vnx s PRO 117 CO 0.03 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.28 2vnx n GLY 118 N -3.04 0.62 3.76 0.56 0.00 -1.26 -4.60 105.19 101.22 2vnx n GLY 118 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2vnx n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vnx s ARG 119 N 0.00 4.22 0.06 1.61 0.52 -1.26 -4.94 118.95 119.15 2vnx s ARG 119 Ca 0.00 2.40 -0.04 0.00 -0.52 0.00 0.00 55.73 57.57 2vnx s ARG 119 Cb 0.00 -3.06 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 2vnx s ARG 119 CO 0.00 -0.45 0.28 -1.21 0.02 0.00 0.00 175.30 173.94 2vnx s GLU 120 N -0.93 3.55 -0.19 3.54 2.02 -1.26 -4.50 118.70 120.92 2vnx s GLU 120 Ca 0.57 -0.19 -0.29 0.00 0.02 0.00 0.00 54.97 55.09 2vnx s GLU 120 Cb -0.44 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 30.78 2vnx s GLU 120 CO 0.49 0.59 1.20 -0.51 0.02 0.00 0.00 175.26 177.05 2vnx s ASP 121 N -2.14 6.98 0.15 -0.19 1.01 -1.26 -4.74 116.67 116.47 2vnx s ASP 121 Ca 0.33 1.59 -0.08 0.00 0.71 0.00 0.00 52.55 55.10 2vnx s ASP 121 Cb -0.13 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.20 2vnx s ASP 121 CO 0.22 -0.75 0.45 -0.54 0.21 0.00 0.00 175.17 174.76 2vnx s LYS 122 N 3.44 3.74 0.20 8.23 1.02 -0.78 -5.02 119.74 130.56 2vnx s LYS 122 Ca 0.52 0.14 0.05 0.00 0.02 0.00 0.00 55.97 56.70 2vnx s LYS 122 Cb -0.20 -2.85 0.10 0.00 -0.52 0.00 0.00 37.83 34.37 2vnx s LYS 122 CO 0.12 0.46 1.45 -1.00 -0.92 0.00 0.00 175.35 175.46 2vnx h PRO 123 N 3.09 0.15 -5.05 -1.68 0.13 -1.95 -3.42 132.00 123.27 2vnx h PRO 123 Ca -0.47 -0.14 -0.67 0.00 -0.87 0.00 0.00 66.00 63.85 2vnx h PRO 123 Cb 1.18 0.04 -0.33 0.00 0.13 0.00 0.00 31.00 32.01 2vnx h PRO 123 CO 0.69 0.85 -0.83 -1.21 -0.23 0.00 0.00 178.00 177.27 2vnx s GLU 124 N -3.36 3.08 0.63 0.86 8.01 -1.26 -5.07 118.70 121.58 2vnx s GLU 124 Ca -0.02 -0.78 -0.19 0.00 0.01 0.00 0.00 54.97 53.99 2vnx s GLU 124 Cb 0.11 -2.67 -0.02 0.00 -4.31 0.00 0.00 34.13 27.24 2vnx s GLU 124 CO 0.81 -0.20 1.25 -2.30 0.01 0.00 0.00 175.26 174.83 2vnx n PRO 125 N 4.65 1.17 -1.16 0.39 -0.02 -1.26 -4.87 135.00 133.89 2vnx n PRO 125 Ca -0.20 0.45 -0.30 0.00 -2.02 0.00 0.00 63.50 61.43 2vnx n PRO 125 Cb 0.50 -2.48 0.13 0.00 -0.02 0.00 0.00 33.50 31.63 2vnx n PRO 125 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2vnx s PRO 126 N -3.20 1.38 0.51 0.52 0.04 -1.26 -4.99 135.00 128.00 2vnx s PRO 126 Ca 0.80 0.95 -0.22 0.00 0.04 0.00 0.00 61.00 62.57 2vnx s PRO 126 Cb -0.39 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 2vnx s PRO 126 CO 0.43 -2.19 1.24 -1.25 0.04 0.00 0.00 177.00 175.27 2vnx s PRO 127 N -4.89 3.43 0.49 0.56 0.04 -1.26 -4.99 135.00 128.38 2vnx s PRO 127 Ca 0.63 1.95 -0.23 0.00 0.04 0.00 0.00 61.00 63.39 2vnx s PRO 127 Cb -0.18 -2.29 -0.08 0.00 0.04 0.00 0.00 34.50 31.99 2vnx s PRO 127 CO 0.57 -0.87 1.23 -1.91 0.04 0.00 0.00 177.00 176.06 2vnx n GLU 128 N -0.82 1.66 0.00 4.56 2.13 -1.26 -4.27 120.64 122.64 2vnx n GLU 128 Ca 0.09 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.51 2vnx n GLU 128 Cb 0.47 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.79 2vnx n GLU 128 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vnx n GLY 129 N 0.89 1.09 0.12 8.31 0.00 -1.26 -5.00 105.19 109.34 2vnx n GLY 129 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 2vnx n GLY 129 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2vnx h ARG 130 N 2.19 0.00 -7.07 1.61 3.08 -1.95 -3.48 114.38 108.76 2vnx h ARG 130 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 2vnx h ARG 130 Cb 0.00 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.11 2vnx h ARG 130 CO 0.00 0.00 0.43 -0.51 -1.07 0.00 0.00 179.97 178.82 2vnx s LEU 131 N -5.29 3.81 0.29 3.04 1.43 -1.26 -4.86 118.68 115.83 2vnx s LEU 131 Ca 0.01 2.13 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 2vnx s LEU 131 Cb 0.10 -4.53 -0.13 0.00 0.03 0.00 0.00 46.19 41.65 2vnx s LEU 131 CO 0.77 -1.07 1.35 -2.65 0.23 0.00 0.00 176.35 174.98 2vnx n PRO 132 N -1.11 2.08 -3.54 1.29 -0.02 -1.26 -4.97 135.00 127.47 2vnx n PRO 132 Ca 0.11 0.74 -0.40 0.00 -2.02 0.00 0.00 63.50 61.92 2vnx n PRO 132 Cb 0.51 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.53 2vnx n PRO 132 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2vnx s ASP 133 N 0.01 6.03 0.58 2.55 -1.08 -1.26 -4.98 116.67 118.52 2vnx s ASP 133 Ca 0.62 -0.42 0.37 0.00 -0.52 0.00 0.00 52.55 52.60 2vnx s ASP 133 Cb -0.61 -2.13 2.01 0.00 -1.46 0.00 0.00 42.92 40.73 2vnx s ASP 133 CO 0.55 -0.23 2.13 0.00 0.52 0.00 0.00 175.17 178.14 2vnx h ALA 134 N 8.48 1.04 -0.00 3.66 0.00 -2.00 -1.80 119.26 128.64 2vnx h ALA 134 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2vnx h ALA 134 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2vnx h ALA 134 CO 0.63 -0.04 -0.43 0.25 0.00 0.00 0.00 179.25 179.66 2vnx n THR 135 N -2.84 0.00 -2.99 0.00 -2.24 -1.26 -1.42 114.28 103.53 2vnx n THR 135 Ca -0.02 -0.03 -0.16 0.00 -2.27 0.00 0.00 64.05 61.56 2vnx n THR 135 Cb 0.11 0.25 0.06 0.00 -2.10 0.00 0.00 70.33 68.65 2vnx n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2vnx n LYS 136 N -1.31 0.61 0.00 -0.78 5.02 -0.68 -4.80 118.16 116.23 2vnx n LYS 136 Ca 0.07 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.78 2vnx n LYS 136 Cb 0.34 -0.23 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 2vnx n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vnx n GLY 137 N -0.95 6.03 0.31 0.72 0.00 -1.26 -3.31 105.19 106.73 2vnx n GLY 137 Ca 0.14 -1.86 -0.06 0.00 0.00 0.00 0.00 46.02 44.23 2vnx n GLY 137 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2vnx h SER 138 N 0.00 0.99 -0.50 1.61 0.02 -1.93 -0.84 113.55 112.90 2vnx h SER 138 Ca 0.00 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2vnx h SER 138 Cb 0.00 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 2vnx h SER 138 CO 0.00 0.89 0.33 0.44 -1.14 0.00 0.00 176.83 177.35 2vnx h ASP 139 N 1.04 0.57 -0.56 3.07 3.32 -1.98 -1.77 116.42 120.11 2vnx h ASP 139 Ca 0.24 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 2vnx h ASP 139 Cb 0.19 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2vnx h ASP 139 CO -0.02 0.41 0.24 -0.74 -1.72 0.00 0.00 179.24 177.41 2vnx h HIS 140 N 0.68 0.83 -0.90 4.55 2.76 -1.84 -1.36 115.15 119.88 2vnx h HIS 140 Ca 0.18 -0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.34 2vnx h HIS 140 Cb -0.07 -0.25 -0.06 0.00 1.55 0.00 0.00 27.41 28.58 2vnx h HIS 140 CO -0.04 0.67 0.57 -0.07 -1.30 0.00 0.00 177.93 177.76 2vnx h LEU 141 N 0.76 0.94 -0.74 0.26 3.38 -0.90 -1.52 115.31 117.48 2vnx h LEU 141 Ca 0.19 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 2vnx h LEU 141 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2vnx h LEU 141 CO -0.02 0.62 -0.41 0.03 0.09 0.00 0.00 178.44 178.76 2vnx h ARG 142 N 1.09 0.48 -0.55 1.13 3.08 -1.07 0.07 114.38 118.60 2vnx h ARG 142 Ca 0.37 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 60.21 2vnx h ARG 142 Cb 0.07 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 2vnx h ARG 142 CO -0.14 0.80 0.33 -0.44 -1.07 0.00 0.00 179.97 179.45 2vnx h ASP 143 N 0.39 0.54 0.00 7.04 3.32 -0.51 0.49 116.42 127.69 2vnx h ASP 143 Ca 0.03 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 2vnx h ASP 143 Cb 0.88 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2vnx h ASP 143 CO 0.07 0.38 -0.65 -0.37 -1.72 0.00 0.00 179.24 176.95 2vnx h VAL 144 N 0.66 1.00 -0.08 -1.35 -1.51 -1.18 -1.77 116.25 112.02 2vnx h VAL 144 Ca 0.22 -1.98 -0.16 0.00 -1.23 0.00 0.00 66.70 63.55 2vnx h VAL 144 Cb 0.02 2.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 2vnx h VAL 144 CO -0.10 0.34 -0.63 -0.26 -1.23 0.00 0.00 177.57 175.69 2vnx h PHE 145 N -1.00 0.40 0.00 5.19 -1.00 -1.10 -0.54 116.94 118.89 2vnx h PHE 145 Ca -0.16 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.46 2vnx h PHE 145 Cb 0.99 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.48 2vnx h PHE 145 CO 0.11 0.85 -0.28 0.41 -1.61 0.00 0.00 178.31 177.79 2vnx n GLY 146 N 0.34 -0.68 0.27 -1.45 0.00 0.00 -0.33 105.19 103.35 2vnx n GLY 146 Ca -0.03 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 2vnx n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vnx h LYS 147 N -0.46 0.94 0.00 1.61 6.56 -0.96 -1.19 116.57 123.08 2vnx h LYS 147 Ca 0.00 -0.30 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 2vnx h LYS 147 Cb 0.28 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 2vnx h LYS 147 CO 0.00 0.96 -0.15 0.00 -2.06 0.00 0.00 179.45 178.20 2vnx h ALA 148 N 0.95 0.00 -0.08 3.86 0.00 -1.31 -3.42 119.26 119.25 2vnx h ALA 148 Ca 0.15 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2vnx h ALA 148 Cb 0.53 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2vnx h ALA 148 CO 0.03 0.15 -0.58 0.52 0.00 0.00 0.00 179.25 179.36 2vnx h MET 149 N -0.66 0.27 0.00 0.00 2.07 -1.10 0.36 114.93 115.86 2vnx h MET 149 Ca 0.00 -0.18 0.00 0.00 -2.07 0.00 0.00 59.70 57.45 2vnx h MET 149 Cb 0.15 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.90 2vnx h MET 149 CO 0.00 0.78 0.00 0.41 1.07 0.00 0.00 176.91 179.17 2vnx n GLY 150 N 0.23 0.74 3.96 8.32 0.00 -0.45 -4.68 105.19 113.31 2vnx n GLY 150 Ca -0.02 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 2vnx n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vnx s LEU 151 N 0.00 3.83 0.59 0.99 1.43 0.54 -4.97 118.68 121.09 2vnx s LEU 151 Ca 0.00 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2vnx s LEU 151 Cb 0.00 -3.05 0.05 0.00 0.03 0.00 0.00 46.19 43.22 2vnx s LEU 151 CO 0.00 -0.54 0.83 0.42 0.23 0.00 0.00 176.35 177.30 2vnx s THR 152 N -2.38 2.54 0.21 5.49 -4.23 -1.26 -4.11 115.64 111.89 2vnx s THR 152 Ca 0.45 -0.62 -0.08 0.00 -1.18 0.00 0.00 61.69 60.27 2vnx s THR 152 Cb -0.10 -2.92 0.16 0.00 1.34 0.00 0.00 72.50 70.98 2vnx s THR 152 CO 0.35 0.00 1.79 0.44 -0.54 0.00 0.00 174.62 176.67 2vnx h ASP 153 N -0.09 1.06 -0.41 3.99 5.19 -2.00 -1.31 116.42 122.85 2vnx h ASP 153 Ca -0.41 -0.15 0.06 0.00 -0.62 0.00 0.00 57.03 55.91 2vnx h ASP 153 Cb 1.29 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 40.48 2vnx h ASP 153 CO 0.51 0.92 0.11 -0.61 -3.12 0.00 0.00 179.24 177.05 2vnx h GLN 154 N 1.14 0.24 -0.79 3.56 4.15 -1.94 -2.48 115.11 118.98 2vnx h GLN 154 Ca 0.27 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.72 2vnx h GLN 154 Cb 0.16 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 2vnx h GLN 154 CO -0.03 0.16 0.50 -0.44 -1.93 0.00 0.00 178.83 177.09 2vnx h ASP 155 N 0.25 0.81 -0.30 -0.69 3.32 -1.73 -1.07 116.42 117.01 2vnx h ASP 155 Ca 0.20 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.30 2vnx h ASP 155 Cb 0.22 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 2vnx h ASP 155 CO -0.24 0.55 -0.00 0.40 -1.72 0.00 0.00 179.24 178.23 2vnx h ILE 156 N 0.96 0.77 -0.14 0.35 2.04 -0.83 0.80 117.51 121.46 2vnx h ILE 156 Ca 0.33 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 66.08 2vnx h ILE 156 Cb 0.06 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2vnx h ILE 156 CO -0.13 0.02 -0.20 0.58 0.00 0.00 0.00 178.15 178.42 2vnx h VAL 157 N 0.09 1.36 -0.22 1.67 2.07 -1.10 -1.47 116.25 118.64 2vnx h VAL 157 Ca 0.15 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.27 2vnx h VAL 157 Cb 0.20 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2vnx h VAL 157 CO -0.25 0.41 0.11 0.00 0.02 0.00 0.00 177.57 177.86 2vnx h ALA 158 N 0.58 0.26 -0.17 1.67 0.00 -1.11 -2.63 119.26 117.85 2vnx h ALA 158 Ca 0.02 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2vnx h ALA 158 Cb 0.76 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2vnx h ALA 158 CO 0.05 -0.30 -0.16 -0.07 0.00 0.00 0.00 179.25 178.76 2vnx h LEU 159 N 0.23 0.28 -1.92 0.00 3.38 -0.84 -1.11 115.31 115.32 2vnx h LEU 159 Ca 0.09 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.10 2vnx h LEU 159 Cb 0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2vnx h LEU 159 CO -0.06 0.47 0.29 0.28 0.09 0.00 0.00 178.44 179.51 2vnx h SER 160 N 0.27 0.08 0.22 -0.43 0.02 -0.90 0.21 113.55 113.02 2vnx h SER 160 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2vnx h SER 160 Cb 0.46 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.98 2vnx h SER 160 CO 0.03 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.38 2vnx n GLY 161 N -1.59 -0.69 0.31 -3.77 0.00 -0.42 -2.06 105.19 96.96 2vnx n GLY 161 Ca 0.07 -0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.22 2vnx n GLY 161 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2vnx h GLY 162 N 1.18 0.00 1.08 -0.02 0.00 -1.06 -0.92 103.07 103.33 2vnx h GLY 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2vnx h GLY 162 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 2vnx n HIS 163 N -3.81 0.00 0.30 5.60 8.25 -0.88 -2.45 115.22 122.24 2vnx n HIS 163 Ca -0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.59 2vnx n HIS 163 Cb 0.12 -0.04 0.71 0.00 1.12 0.00 0.00 29.99 31.89 2vnx n HIS 163 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2vnx h THR 164 N 0.00 0.00 -3.92 1.59 1.03 -1.40 -3.40 112.91 106.80 2vnx h THR 164 Ca 0.00 -0.20 -0.68 0.00 -0.01 0.00 0.00 66.41 65.51 2vnx h THR 164 Cb 0.02 0.99 -0.21 0.00 -1.07 0.00 0.00 68.15 67.88 2vnx h THR 164 CO 0.00 0.00 -0.80 0.27 -0.01 0.00 0.00 175.52 174.98 2vnx s ILE 165 N -3.62 2.85 0.00 0.00 -4.36 -1.02 -4.57 121.20 110.47 2vnx s ILE 165 Ca 0.00 -1.19 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 2vnx s ILE 165 Cb 0.09 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.59 2vnx s ILE 165 CO 0.39 0.32 0.00 0.61 0.24 0.00 0.00 174.94 176.49 2vnx n GLY 166 N 1.47 -1.80 3.46 6.27 0.00 0.34 -4.90 105.19 110.03 2vnx n GLY 166 Ca -0.16 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 2vnx n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vnx s ALA 167 N -1.58 -1.65 0.49 4.61 0.00 -1.26 -3.76 121.76 118.61 2vnx s ALA 167 Ca 0.00 0.81 -0.05 0.00 0.00 0.00 0.00 51.96 52.71 2vnx s ALA 167 Cb 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 2vnx s ALA 167 CO 0.00 -0.61 0.79 0.00 0.00 0.00 0.00 175.76 175.95 2vnx s ALA 168 N -2.73 3.40 -0.04 0.00 0.00 -0.23 -4.88 121.76 117.29 2vnx s ALA 168 Ca -0.04 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2vnx s ALA 168 Cb -0.01 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.56 2vnx s ALA 168 CO -0.04 -0.40 -0.07 -1.01 0.00 0.00 0.00 175.76 174.24 2vnx s HIS 169 N -2.76 0.88 0.56 0.00 3.76 -0.76 -1.04 115.29 115.94 2vnx s HIS 169 Ca 0.48 -0.25 0.28 0.00 -0.15 0.00 0.00 55.06 55.41 2vnx s HIS 169 Cb -0.10 -0.71 1.71 0.00 1.11 0.00 0.00 32.58 34.59 2vnx s HIS 169 CO 0.45 -0.17 2.22 1.57 -0.85 0.00 0.00 174.74 177.96 2vnx h LYS 170 N 6.89 0.00 0.00 1.40 2.10 -1.50 -0.11 116.57 125.36 2vnx h LYS 170 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2vnx h LYS 170 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2vnx h LYS 170 CO 0.48 0.02 -0.33 -0.85 -2.00 0.00 0.00 179.45 176.77 2vnx n GLU 171 N -3.92 0.16 0.00 0.07 0.00 -1.26 -3.05 120.64 112.64 2vnx n GLU 171 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2vnx n GLU 171 Cb 0.10 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 29.90 2vnx n GLU 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2vnx n ARG 172 N -1.90 0.00 0.08 3.44 1.74 -0.10 -4.82 116.66 115.11 2vnx n ARG 172 Ca 0.05 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.04 2vnx n ARG 172 Cb 0.40 -0.01 -0.01 0.00 -1.02 0.00 0.00 32.46 31.82 2vnx n ARG 172 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2vnx h SER 173 N 0.00 0.32 0.00 0.55 4.64 -1.72 -3.46 113.55 113.88 2vnx h SER 173 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2vnx h SER 173 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2vnx h SER 173 CO 0.00 1.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 2vnx n GLY 174 N 0.85 1.75 3.75 -0.77 0.00 -0.92 -5.01 105.19 104.84 2vnx n GLY 174 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2vnx n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vnx s PHE 175 N -1.99 2.48 -0.18 1.61 0.40 -1.26 -4.33 117.98 114.72 2vnx s PHE 175 Ca 0.00 1.25 -0.08 0.00 -0.60 0.00 0.00 56.93 57.50 2vnx s PHE 175 Cb 0.00 -3.14 0.07 0.00 0.51 0.00 0.00 43.02 40.46 2vnx s PHE 175 CO 0.00 -2.17 0.41 -2.00 0.70 0.00 0.00 175.22 172.16 2vnx s GLU 176 N -4.99 0.36 0.00 0.44 2.56 -1.26 -1.62 118.70 114.18 2vnx s GLU 176 Ca 0.62 0.86 0.00 0.00 0.00 0.00 0.00 54.97 56.46 2vnx s GLU 176 Cb -0.17 0.08 0.00 0.00 2.00 0.00 0.00 34.13 36.04 2vnx s GLU 176 CO 0.56 -0.19 0.00 0.41 -0.56 0.00 0.00 175.26 175.48 2vnx n GLY 177 N 4.66 2.20 3.85 -1.50 0.00 -0.20 -4.73 105.19 109.46 2vnx n GLY 177 Ca -0.18 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 2vnx n GLY 177 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2vnx s PRO 178 N -2.22 3.92 0.29 1.61 0.04 -1.26 -1.07 135.00 136.30 2vnx s PRO 178 Ca 0.00 0.89 0.15 0.00 0.04 0.00 0.00 61.00 62.08 2vnx s PRO 178 Cb 0.00 -2.17 0.17 0.00 0.04 0.00 0.00 34.50 32.54 2vnx s PRO 178 CO 0.00 -0.25 1.49 -1.49 0.04 0.00 0.00 177.00 176.79 2vnx h TRP 179 N 0.92 0.00 -3.66 0.56 6.55 -1.77 0.79 115.95 119.34 2vnx h TRP 179 Ca -0.47 0.00 -0.35 0.00 0.95 0.00 0.00 58.89 59.03 2vnx h TRP 179 Cb 1.18 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 29.34 2vnx h TRP 179 CO 0.63 0.50 -0.63 0.95 -1.05 0.00 0.00 178.44 178.85 2vnx s THR 180 N -3.06 0.68 -0.86 1.49 -4.23 -1.26 -4.54 115.64 103.86 2vnx s THR 180 Ca 0.03 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.78 2vnx s THR 180 Cb 0.08 -2.50 0.23 0.00 1.34 0.00 0.00 72.50 71.65 2vnx s THR 180 CO 0.74 -0.15 1.76 -1.20 -0.54 0.00 0.00 174.62 175.23 2vnx n SER 181 N -0.42 0.29 -3.39 3.99 7.64 -1.26 -4.11 113.62 116.36 2vnx n SER 181 Ca -0.02 0.54 -0.26 0.00 1.01 0.00 0.00 58.87 60.14 2vnx n SER 181 Cb 0.65 -0.61 -0.08 0.00 -1.01 0.00 0.00 64.21 63.15 2vnx n SER 181 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2vnx n ASN 182 N -1.79 1.56 0.00 6.43 3.02 -1.26 -4.97 115.26 118.25 2vnx n ASN 182 Ca 0.05 -2.94 0.09 0.00 -0.03 0.00 0.00 54.58 51.75 2vnx n ASN 182 Cb 0.31 -0.65 0.54 0.00 -0.61 0.00 0.00 39.78 39.37 2vnx n ASN 182 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2vnx n PRO 183 N 1.53 0.51 -0.18 3.52 -0.04 -1.26 -1.60 135.00 137.49 2vnx n PRO 183 Ca 0.25 0.03 0.05 0.00 -0.04 0.00 0.00 63.50 63.79 2vnx n PRO 183 Cb 0.46 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.56 2vnx n PRO 183 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2vnx n LEU 184 N -1.07 2.89 -4.25 1.53 4.77 -1.26 -0.50 117.00 119.11 2vnx n LEU 184 Ca 0.13 -2.17 -0.33 0.00 -0.03 0.00 0.00 56.01 53.61 2vnx n LEU 184 Cb 0.09 -0.24 -0.15 0.00 -2.33 0.00 0.00 43.42 40.78 2vnx n LEU 184 CO 0.11 0.69 -0.49 -0.63 -1.33 0.00 0.00 177.39 175.74 2vnx s ILE 185 N -1.30 2.58 -0.45 -0.08 -1.09 -0.63 -4.64 121.20 115.60 2vnx s ILE 185 Ca 0.22 -0.80 -0.24 0.00 -2.23 0.00 0.00 60.65 57.60 2vnx s ILE 185 Cb 0.14 -2.08 0.03 0.00 -1.58 0.00 0.00 42.46 38.96 2vnx s ILE 185 CO 0.12 0.52 0.86 0.12 -1.23 0.00 0.00 174.94 175.33 2vnx s PHE 186 N 0.82 2.97 0.02 3.97 2.19 0.41 -4.54 117.98 123.82 2vnx s PHE 186 Ca -0.05 0.31 -0.00 0.00 0.33 0.00 0.00 56.93 57.51 2vnx s PHE 186 Cb -0.15 -3.80 0.00 0.00 -1.31 0.00 0.00 43.02 37.76 2vnx s PHE 186 CO -0.00 -1.02 0.03 -0.40 1.83 0.00 0.00 175.22 175.65 2vnx n ASP 187 N 6.92 -0.08 -0.85 6.13 5.68 -1.26 -4.22 116.55 128.86 2vnx n ASP 187 Ca 0.04 -1.08 0.05 0.00 -0.50 0.00 0.00 54.79 53.31 2vnx n ASP 187 Cb 0.48 0.15 0.18 0.00 -1.14 0.00 0.00 41.12 40.79 2vnx n ASP 187 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2vnx n ASN 188 N -1.50 2.45 0.26 -1.12 6.94 -1.26 -4.40 115.26 116.62 2vnx n ASN 188 Ca -0.00 -2.15 0.13 0.00 -0.02 0.00 0.00 54.58 52.54 2vnx n ASN 188 Cb 0.03 -0.36 0.67 0.00 -2.36 0.00 0.00 39.78 37.76 2vnx n ASN 188 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2vnx h SER 189 N 2.15 0.00 -0.71 0.53 4.64 -1.93 -1.70 113.55 116.52 2vnx h SER 189 Ca 0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 2vnx h SER 189 Cb 0.74 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.73 2vnx h SER 189 CO 0.08 0.14 0.25 0.22 -0.87 0.00 0.00 176.83 176.65 2vnx h TYR 190 N 0.00 0.43 -0.12 4.77 3.20 -1.89 0.92 116.97 124.28 2vnx h TYR 190 Ca -0.00 0.04 -0.23 0.00 3.14 0.00 0.00 58.73 61.67 2vnx h TYR 190 Cb 0.44 -0.08 0.01 0.00 1.54 0.00 0.00 36.73 38.65 2vnx h TYR 190 CO 0.00 0.04 -0.84 0.74 -1.64 0.00 0.00 178.16 176.46 2vnx h PHE 191 N 0.39 1.06 -0.53 -3.82 0.04 -1.67 -1.85 116.94 110.56 2vnx h PHE 191 Ca 0.39 -0.50 -0.04 0.00 2.80 0.00 0.00 57.97 60.62 2vnx h PHE 191 Cb 0.58 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 2vnx h PHE 191 CO -0.19 1.33 0.16 1.79 -0.60 0.00 0.00 178.31 180.80 2vnx h THR 192 N 0.49 1.21 -0.32 -1.55 1.35 -1.29 -1.63 112.91 111.17 2vnx h THR 192 Ca -0.07 -0.74 -0.15 0.00 -0.55 0.00 0.00 66.41 64.90 2vnx h THR 192 Cb 1.47 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2vnx h THR 192 CO 0.17 0.28 -0.39 -0.33 -0.25 0.00 0.00 175.52 175.00 2vnx h GLU 193 N 0.78 0.83 -0.55 4.72 4.39 -0.78 -2.22 114.58 121.74 2vnx h GLU 193 Ca 0.18 -0.47 0.08 0.00 0.34 0.00 0.00 59.36 59.50 2vnx h GLU 193 Cb 0.24 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.85 2vnx h GLU 193 CO -0.01 1.10 0.18 -0.07 -1.16 0.00 0.00 179.01 179.06 2vnx h LEU 194 N 0.61 0.16 -0.36 1.33 3.38 -1.05 -2.87 115.31 116.50 2vnx h LEU 194 Ca 0.04 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2vnx h LEU 194 Cb 0.99 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2vnx h LEU 194 CO 0.09 0.11 -0.10 -0.07 0.09 0.00 0.00 178.44 178.57 2vnx h LEU 195 N 0.35 0.71 0.00 1.67 3.38 -1.22 -3.27 115.31 116.94 2vnx h LEU 195 Ca 0.27 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2vnx h LEU 195 Cb 0.33 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2vnx h LEU 195 CO -0.29 0.92 0.00 -1.54 0.09 0.00 0.00 178.44 177.61 2vnx n SER 196 N -4.38 0.00 0.00 -0.43 3.41 -0.84 -4.98 113.62 106.39 2vnx n SER 196 Ca -0.02 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2vnx n SER 196 Cb 0.35 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2vnx n SER 196 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vnx n GLY 197 N -0.10 -3.25 3.50 5.00 0.00 -1.19 -4.87 105.19 104.28 2vnx n GLY 197 Ca 0.04 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 2vnx n GLY 197 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2vnx s GLU 198 N -0.62 3.44 0.34 1.61 2.12 -1.26 -4.71 118.70 119.62 2vnx s GLU 198 Ca 0.00 -1.19 -0.26 0.00 0.36 0.00 0.00 54.97 53.88 2vnx s GLU 198 Cb 0.00 -4.81 -0.10 0.00 0.26 0.00 0.00 34.13 29.48 2vnx s GLU 198 CO 0.00 -1.96 0.99 0.21 -0.54 0.00 0.00 175.26 173.97 2vnx s LYS 199 N 4.03 4.45 0.28 4.30 2.20 -1.26 -5.00 119.74 128.73 2vnx s LYS 199 Ca 0.35 1.44 -0.30 0.00 -0.36 0.00 0.00 55.97 57.09 2vnx s LYS 199 Cb -0.06 -2.75 -0.11 0.00 -1.51 0.00 0.00 37.83 33.39 2vnx s LYS 199 CO -0.03 0.13 1.59 -2.00 -0.36 0.00 0.00 175.35 174.69 2vnx s GLU 200 N -2.14 4.14 0.00 4.03 2.56 -1.26 -2.54 118.70 123.49 2vnx s GLU 200 Ca 0.52 2.55 0.00 0.00 0.00 0.00 0.00 54.97 58.04 2vnx s GLU 200 Cb -0.21 -3.04 0.00 0.00 2.00 0.00 0.00 34.13 32.88 2vnx s GLU 200 CO 0.27 -0.62 0.00 0.41 -0.56 0.00 0.00 175.26 174.76 2vnx n GLY 201 N 2.37 1.50 3.65 -1.50 0.00 -1.26 -5.04 105.19 104.91 2vnx n GLY 201 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2vnx n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vnx s LEU 202 N 0.00 3.29 -0.10 0.99 1.43 -1.05 -4.43 118.68 118.81 2vnx s LEU 202 Ca 0.00 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2vnx s LEU 202 Cb 0.00 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2vnx s LEU 202 CO 0.00 0.15 0.07 -0.22 0.23 0.00 0.00 176.35 176.58 2vnx s LEU 203 N -2.47 3.96 -0.10 1.79 2.96 0.27 -4.77 118.68 120.33 2vnx s LEU 203 Ca 0.25 0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 2vnx s LEU 203 Cb -0.11 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.67 2vnx s LEU 203 CO 0.17 0.39 -0.03 -1.10 -1.32 0.00 0.00 176.35 174.46 2vnx s GLN 204 N -0.97 1.02 0.58 1.98 -0.21 -1.26 -4.42 119.66 116.37 2vnx s GLN 204 Ca 0.14 -0.09 -0.16 0.00 0.02 0.00 0.00 55.36 55.27 2vnx s GLN 204 Cb -0.12 -1.32 -0.04 0.00 1.00 0.00 0.00 33.01 32.53 2vnx s GLN 204 CO 0.03 -0.31 1.05 -0.51 -2.12 0.00 0.00 175.29 173.43 2vnx s LEU 205 N 1.85 3.53 0.36 2.90 1.43 -1.26 -4.90 118.68 122.59 2vnx s LEU 205 Ca 0.05 1.78 0.12 0.00 -1.03 0.00 0.00 54.13 55.05 2vnx s LEU 205 Cb -0.13 -4.53 0.93 0.00 0.03 0.00 0.00 46.19 42.49 2vnx s LEU 205 CO -0.07 -1.06 1.81 -0.65 0.23 0.00 0.00 176.35 176.61 2vnx h PRO 206 N 0.55 0.56 -0.05 1.29 0.11 -1.86 -0.61 132.00 131.99 2vnx h PRO 206 Ca -0.47 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2vnx h PRO 206 Cb 1.21 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2vnx h PRO 206 CO 0.58 0.37 -0.22 0.66 -0.21 0.00 0.00 178.00 179.18 2vnx h SER 207 N 0.57 0.07 -0.10 -2.05 4.64 -1.23 -0.87 113.55 114.59 2vnx h SER 207 Ca 0.53 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.79 2vnx h SER 207 Cb 1.08 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2vnx h SER 207 CO -0.28 0.30 -0.12 0.44 -0.87 0.00 0.00 176.83 176.30 2vnx h ASP 208 N 0.07 0.28 -0.09 4.97 3.32 -1.45 -3.25 116.42 120.26 2vnx h ASP 208 Ca 0.01 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 2vnx h ASP 208 Cb 0.43 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2vnx h ASP 208 CO 0.03 0.72 0.05 0.11 -1.72 0.00 0.00 179.24 178.43 2vnx h LYS 209 N -0.16 0.14 -0.21 3.56 1.57 -0.83 -2.06 116.57 118.57 2vnx h LYS 209 Ca 0.01 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2vnx h LYS 209 Cb 0.65 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2vnx h LYS 209 CO 0.03 0.11 0.16 0.00 -0.57 0.00 0.00 179.45 179.19 2vnx h ALA 210 N 1.91 2.11 0.00 3.86 0.00 -1.21 -1.23 119.26 124.71 2vnx h ALA 210 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2vnx h ALA 210 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2vnx h ALA 210 CO -0.01 -0.27 -0.21 -0.07 0.00 0.00 0.00 179.25 178.69 2vnx h LEU 211 N 0.00 0.00 -0.53 0.00 3.38 -1.50 -3.05 115.31 113.60 2vnx h LEU 211 Ca 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 2vnx h LEU 211 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2vnx h LEU 211 CO -0.00 0.21 -0.71 -0.07 0.09 0.00 0.00 178.44 177.96 2vnx h LEU 212 N 0.00 0.00 -0.17 1.67 3.38 -1.38 -2.64 115.31 116.17 2vnx h LEU 212 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2vnx h LEU 212 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2vnx h LEU 212 CO 0.03 0.71 -0.89 -1.54 0.09 0.00 0.00 178.44 176.83 2vnx n SER 213 N -3.64 1.15 -4.73 -0.43 3.41 -1.16 -4.67 113.62 103.56 2vnx n SER 213 Ca -0.01 -1.08 -0.40 0.00 -0.26 0.00 0.00 58.87 57.13 2vnx n SER 213 Cb 0.71 0.91 -0.05 0.00 -0.26 0.00 0.00 64.21 65.52 2vnx n SER 213 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2vnx s ASP 214 N -2.87 7.14 0.45 4.04 -1.08 -1.18 -4.98 116.67 118.19 2vnx s ASP 214 Ca 0.10 1.37 0.17 0.00 -0.52 0.00 0.00 52.55 53.67 2vnx s ASP 214 Cb 0.16 -2.46 1.11 0.00 -1.46 0.00 0.00 42.92 40.27 2vnx s ASP 214 CO 0.80 -0.07 1.96 -0.65 0.52 0.00 0.00 175.17 177.73 2vnx h PRO 215 N 6.26 0.32 0.11 4.34 0.11 -1.91 -0.83 132.00 140.40 2vnx h PRO 215 Ca -0.42 -0.02 -0.34 0.00 0.11 0.00 0.00 66.00 65.33 2vnx h PRO 215 Cb 1.20 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2vnx h PRO 215 CO 0.73 0.21 -1.83 0.28 -0.21 0.00 0.00 178.00 177.19 2vnx h VAL 216 N 0.33 0.73 -0.49 3.15 2.07 -1.94 -3.40 116.25 116.70 2vnx h VAL 216 Ca 0.31 -2.34 -0.09 0.00 0.82 0.00 0.00 66.70 65.40 2vnx h VAL 216 Cb 0.75 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 2vnx h VAL 216 CO -0.08 0.80 -0.02 -0.26 0.02 0.00 0.00 177.57 178.03 2vnx h PHE 217 N -0.11 0.98 -0.13 1.57 0.04 -1.77 -3.33 116.94 114.19 2vnx h PHE 217 Ca -0.40 -0.18 0.02 0.00 2.80 0.00 0.00 57.97 60.22 2vnx h PHE 217 Cb 1.92 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 39.79 2vnx h PHE 217 CO 0.09 0.92 -0.01 -0.09 -0.60 0.00 0.00 178.31 178.62 2vnx h ARG 218 N 0.75 0.03 -0.84 1.51 9.65 -0.76 -1.32 114.38 123.40 2vnx h ARG 218 Ca 0.14 -0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.21 2vnx h ARG 218 Cb 0.55 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.07 2vnx h ARG 218 CO 0.03 0.02 0.56 -1.35 2.80 0.00 0.00 179.97 182.03 2vnx h PRO 219 N 0.03 0.33 -0.17 0.20 0.11 -1.77 0.06 132.00 130.80 2vnx h PRO 219 Ca 0.06 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 2vnx h PRO 219 Cb 0.08 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.12 2vnx h PRO 219 CO -0.12 0.22 -0.29 -0.07 -0.21 0.00 0.00 178.00 177.53 2vnx h LEU 220 N 0.34 0.54 -0.49 2.35 3.38 -1.40 -0.90 115.31 119.13 2vnx h LEU 220 Ca 0.42 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2vnx h LEU 220 Cb 1.12 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 2vnx h LEU 220 CO -0.13 0.98 0.17 0.58 0.09 0.00 0.00 178.44 180.13 2vnx h VAL 221 N 0.13 0.83 -0.61 1.22 2.07 -0.29 -0.19 116.25 119.41 2vnx h VAL 221 Ca 0.01 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2vnx h VAL 221 Cb 0.87 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2vnx h VAL 221 CO 0.07 0.06 0.36 0.44 0.02 0.00 0.00 177.57 178.52 2vnx h ASP 222 N 0.35 0.73 0.06 0.57 3.32 -0.91 -3.65 116.42 116.89 2vnx h ASP 222 Ca 0.24 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.23 2vnx h ASP 222 Cb 0.25 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2vnx h ASP 222 CO -0.24 0.58 -0.10 0.50 -1.72 0.00 0.00 179.24 178.26 2vnx h LYS 223 N 0.82 -0.20 -0.40 3.56 3.64 -0.56 -1.83 116.57 121.61 2vnx h LYS 223 Ca 0.22 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 2vnx h LYS 223 Cb -0.02 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2vnx h LYS 223 CO -0.04 -0.13 -0.08 1.88 -2.27 0.00 0.00 179.45 178.80 2vnx h TYR 224 N -0.21 0.75 -0.30 1.91 0.05 -1.28 0.47 116.97 118.36 2vnx h TYR 224 Ca 0.02 -0.12 -0.07 0.00 0.05 0.00 0.00 58.73 58.60 2vnx h TYR 224 Cb 0.22 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 2vnx h TYR 224 CO -0.13 0.75 -0.12 0.00 -1.05 0.00 0.00 178.16 177.61 2vnx h ALA 225 N 1.27 1.23 0.00 3.88 0.00 -1.77 -3.14 119.26 120.74 2vnx h ALA 225 Ca 0.12 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2vnx h ALA 225 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2vnx h ALA 225 CO 0.03 0.50 -0.84 0.00 0.00 0.00 0.00 179.25 178.94 2vnx h ALA 226 N 1.40 0.65 -2.32 0.00 0.00 -0.83 -3.45 119.26 114.71 2vnx h ALA 226 Ca 0.09 -0.61 -0.47 0.00 0.00 0.00 0.00 54.91 53.92 2vnx h ALA 226 Cb 0.49 0.04 -0.35 0.00 0.00 0.00 0.00 17.79 17.96 2vnx h ALA 226 CO 0.03 0.75 -0.76 0.34 0.00 0.00 0.00 179.25 179.61 2vnx s ASP 227 N -6.23 2.20 0.34 0.00 3.68 0.11 -5.00 116.67 111.77 2vnx s ASP 227 Ca 0.01 -1.75 0.04 0.00 2.13 0.00 0.00 52.55 52.98 2vnx s ASP 227 Cb 0.08 0.06 0.60 0.00 -1.45 0.00 0.00 42.92 42.21 2vnx s ASP 227 CO 0.77 -0.31 1.88 -0.08 0.13 0.00 0.00 175.17 177.57 2vnx h GLU 228 N 7.26 0.56 -0.68 4.34 4.81 -1.84 -1.88 114.58 127.15 2vnx h GLU 228 Ca 0.02 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2vnx h GLU 228 Cb 1.02 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 2vnx h GLU 228 CO 0.26 0.56 0.44 -0.44 -0.73 0.00 0.00 179.01 179.10 2vnx h ASP 229 N 0.54 0.78 -0.67 1.04 3.32 -1.94 0.91 116.42 120.40 2vnx h ASP 229 Ca 0.12 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2vnx h ASP 229 Cb 0.30 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2vnx h ASP 229 CO 0.01 0.57 0.18 0.00 -1.72 0.00 0.00 179.24 178.28 2vnx h ALA 230 N 1.24 0.88 0.00 3.45 0.00 -1.81 -1.07 119.26 121.94 2vnx h ALA 230 Ca 0.25 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2vnx h ALA 230 Cb -0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2vnx h ALA 230 CO -0.05 0.58 -0.06 0.35 0.00 0.00 0.00 179.25 180.08 2vnx h PHE 231 N 0.99 -0.14 -0.73 0.00 3.57 -0.98 -1.57 116.94 118.08 2vnx h PHE 231 Ca 0.21 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.77 2vnx h PHE 231 Cb 0.34 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 2vnx h PHE 231 CO 0.03 -0.09 0.44 0.74 -2.23 0.00 0.00 178.31 177.19 2vnx h PHE 232 N -0.10 0.81 0.34 0.41 -1.00 -0.49 0.31 116.94 117.22 2vnx h PHE 232 Ca 0.02 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 2vnx h PHE 232 Cb 0.13 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 39.43 2vnx h PHE 232 CO -0.13 0.41 -0.16 0.00 -1.61 0.00 0.00 178.31 176.82 2vnx h ALA 233 N 1.35 -0.46 -0.57 2.45 0.00 -1.07 -0.78 119.26 120.18 2vnx h ALA 233 Ca 0.32 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2vnx h ALA 233 Cb 0.14 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2vnx h ALA 233 CO -0.16 -0.73 0.14 -0.44 0.00 0.00 0.00 179.25 178.06 2vnx h ASP 234 N -0.51 0.81 0.06 0.00 5.19 -1.04 -2.29 116.42 118.64 2vnx h ASP 234 Ca -0.05 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.22 2vnx h ASP 234 Cb 0.39 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.69 2vnx h ASP 234 CO 0.08 0.79 -0.03 0.22 -3.12 0.00 0.00 179.24 177.17 2vnx h TYR 235 N 0.84 -0.08 -0.97 4.55 5.03 -0.31 -1.10 116.97 124.92 2vnx h TYR 235 Ca 0.18 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.53 2vnx h TYR 235 Cb 0.29 0.03 -0.06 0.00 1.55 0.00 0.00 36.73 38.54 2vnx h TYR 235 CO 0.02 -0.01 0.63 0.00 -1.32 0.00 0.00 178.16 177.48 2vnx h ALA 236 N 0.80 1.29 -0.24 1.82 0.00 -0.96 0.20 119.26 122.18 2vnx h ALA 236 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2vnx h ALA 236 Cb 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2vnx h ALA 236 CO 0.01 0.50 0.11 1.49 0.00 0.00 0.00 179.25 181.36 2vnx h GLU 237 N 1.21 0.35 -0.27 0.00 4.81 -1.29 -1.82 114.58 117.57 2vnx h GLU 237 Ca 0.39 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.46 2vnx h GLU 237 Cb 0.03 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2vnx h GLU 237 CO -0.13 0.36 -0.24 0.00 -0.73 0.00 0.00 179.01 178.27 2vnx h ALA 238 N 0.97 0.40 -0.54 2.92 0.00 -0.47 -2.24 119.26 120.30 2vnx h ALA 238 Ca 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2vnx h ALA 238 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2vnx h ALA 238 CO -0.01 0.37 0.30 1.25 0.00 0.00 0.00 179.25 181.16 2vnx h HIS 239 N 0.38 0.74 -0.25 0.00 -0.00 -0.65 0.62 115.15 115.99 2vnx h HIS 239 Ca 0.05 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.43 2vnx h HIS 239 Cb 0.80 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.94 2vnx h HIS 239 CO 0.07 0.54 0.07 0.37 -0.00 0.00 0.00 177.93 178.98 2vnx h GLN 240 N 0.73 0.17 -0.40 5.26 4.15 -1.23 0.36 115.11 124.15 2vnx h GLN 240 Ca 0.19 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.62 2vnx h GLN 240 Cb 0.04 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 2vnx h GLN 240 CO -0.03 0.11 0.23 0.87 -1.93 0.00 0.00 178.83 178.08 2vnx h LYS 241 N 0.17 0.46 -0.51 1.69 1.57 -1.03 -2.09 116.57 116.83 2vnx h LYS 241 Ca 0.11 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2vnx h LYS 241 Cb 0.09 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2vnx h LYS 241 CO -0.13 0.30 0.33 1.25 -0.57 0.00 0.00 179.45 180.64 2vnx h LEU 242 N 0.47 0.56 -0.68 2.94 5.85 -0.48 -1.59 115.31 122.38 2vnx h LEU 242 Ca 0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2vnx h LEU 242 Cb 0.01 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2vnx h LEU 242 CO -0.08 0.41 0.00 -1.54 -0.34 0.00 0.00 178.44 176.89 2vnx n SER 243 N -4.75 0.53 -0.45 1.25 3.41 0.08 -2.51 113.62 111.18 2vnx n SER 243 Ca 0.03 0.65 0.04 0.00 -0.26 0.00 0.00 58.87 59.33 2vnx n SER 243 Cb 0.03 -0.75 0.10 0.00 -0.26 0.00 0.00 64.21 63.33 2vnx n SER 243 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2vnx n GLU 244 N -2.10 2.63 -1.67 4.33 1.02 -0.66 -4.84 120.64 119.35 2vnx n GLU 244 Ca 0.02 -1.81 -0.46 0.00 -0.02 0.00 0.00 57.16 54.89 2vnx n GLU 244 Cb 0.18 -1.19 -0.04 0.00 -0.02 0.00 0.00 31.44 30.37 2vnx n GLU 244 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2vnx n LEU 245 N 0.26 3.14 0.00 -4.62 4.77 -0.85 -1.17 117.00 118.53 2vnx n LEU 245 Ca 0.08 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 2vnx n LEU 245 Cb 0.36 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 2vnx n LEU 245 CO 0.06 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 2vnx n GLY 246 N 3.33 0.44 3.37 -0.72 0.00 -1.26 -4.34 105.19 106.01 2vnx n GLY 246 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2vnx n GLY 246 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2vnx s PHE 247 N -2.22 2.71 -1.46 1.61 5.36 -0.32 -4.56 117.98 119.11 2vnx s PHE 247 Ca 0.00 -0.58 -0.07 0.00 -0.96 0.00 0.00 56.93 55.32 2vnx s PHE 247 Cb 0.00 -1.75 0.03 0.00 -0.34 0.00 0.00 43.02 40.96 2vnx s PHE 247 CO 0.00 -0.14 0.67 0.00 -1.46 0.00 0.00 175.22 174.29 2vnx n ALA 248 N 3.17 -1.06 -0.01 11.12 0.00 -1.26 -4.90 120.51 127.56 2vnx n ALA 248 Ca -0.18 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2vnx n ALA 248 Cb 0.53 -3.80 0.00 0.00 0.00 0.00 0.00 19.45 16.17 2vnx n ALA 248 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25