#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdd n TYR 3 N 0.00 0.00 -1.52 5.58 4.02 -1.26 -4.93 117.16 119.06 1vdd n TYR 3 Ca 0.00 0.00 -0.51 0.00 -0.01 0.00 0.00 57.90 57.38 1vdd n TYR 3 Cb 0.00 -0.53 -0.07 0.00 -0.02 0.00 0.00 39.34 38.73 1vdd n TYR 3 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1vdd n PRO 4 N -3.18 1.27 -0.33 -0.72 -0.04 -1.26 -4.78 135.00 125.96 1vdd n PRO 4 Ca -0.26 0.38 0.28 0.00 -0.04 0.00 0.00 63.50 63.86 1vdd n PRO 4 Cb 0.74 -2.47 0.59 0.00 -0.04 0.00 0.00 33.50 32.32 1vdd n PRO 4 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1vdd h PRO 5 N 11.43 0.24 -0.13 0.54 0.13 -1.99 0.28 132.00 142.50 1vdd h PRO 5 Ca -0.33 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 1vdd h PRO 5 Cb 1.31 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1vdd h PRO 5 CO 1.00 0.16 -0.03 0.66 -0.23 0.00 0.00 178.00 179.56 1vdd h SER 6 N 0.25 0.25 -0.52 1.44 4.64 -1.99 0.79 113.55 118.40 1vdd h SER 6 Ca 0.60 -0.36 0.05 0.00 -0.47 0.00 0.00 61.79 61.61 1vdd h SER 6 Cb 1.82 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.80 1vdd h SER 6 CO -0.22 0.55 0.26 0.25 -0.87 0.00 0.00 176.83 176.81 1vdd h LEU 7 N -0.05 0.37 -0.28 5.97 6.46 -1.35 -1.78 115.31 124.65 1vdd h LEU 7 Ca 0.03 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1vdd h LEU 7 Cb 0.44 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.29 1vdd h LEU 7 CO 0.01 0.26 -0.02 0.58 -0.62 0.00 0.00 178.44 178.65 1vdd h VAL 8 N 0.51 0.78 -0.22 1.05 2.07 -0.99 -2.35 116.25 117.10 1vdd h VAL 8 Ca 0.23 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.76 1vdd h VAL 8 Cb 0.15 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1vdd h VAL 8 CO -0.16 0.01 0.02 0.28 0.02 0.00 0.00 177.57 177.74 1vdd h SER 9 N 0.06 -0.04 -0.50 0.57 0.02 -0.18 -0.81 113.55 112.68 1vdd h SER 9 Ca 0.13 0.04 0.09 0.00 -0.84 0.00 0.00 61.79 61.22 1vdd h SER 9 Cb 0.18 0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.71 1vdd h SER 9 CO -0.24 0.01 0.03 0.25 -1.14 0.00 0.00 176.83 175.75 1vdd h LEU 10 N 0.10 -0.14 0.28 5.07 6.46 -1.04 0.49 115.31 126.52 1vdd h LEU 10 Ca 0.10 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1vdd h LEU 10 Cb 0.11 0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.19 1vdd h LEU 10 CO -0.15 -0.04 -0.51 0.40 -0.62 0.00 0.00 178.44 177.52 1vdd h ILE 11 N 0.15 0.00 -0.97 4.05 1.08 -0.86 0.13 117.51 121.09 1vdd h ILE 11 Ca 0.25 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.80 1vdd h ILE 11 Cb 0.37 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.05 1vdd h ILE 11 CO -0.39 0.00 0.62 -0.09 -0.69 0.00 0.00 178.15 177.60 1vdd h ARG 12 N -0.84 1.06 -0.51 2.37 2.43 -0.40 0.18 114.38 118.67 1vdd h ARG 12 Ca -0.03 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 58.96 1vdd h ARG 12 Cb 0.79 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1vdd h ARG 12 CO -0.19 0.70 -0.15 0.93 -1.51 0.00 0.00 179.97 179.76 1vdd h GLU 13 N 1.10 0.99 -0.24 0.20 4.39 0.31 -2.95 114.58 118.38 1vdd h GLU 13 Ca 0.43 -0.39 -0.15 0.00 0.34 0.00 0.00 59.36 59.60 1vdd h GLU 13 Cb 0.23 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1vdd h GLU 13 CO -0.19 1.06 -0.46 -0.07 -1.16 0.00 0.00 179.01 178.19 1vdd h LEU 14 N 0.87 0.67 0.00 1.33 3.38 -0.17 -2.98 115.31 118.41 1vdd h LEU 14 Ca 0.13 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1vdd h LEU 14 Cb 0.72 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1vdd h LEU 14 CO 0.05 1.03 0.00 -1.20 0.09 0.00 0.00 178.44 178.41 1vdd n SER 15 N -4.01 0.00 0.06 -0.43 7.64 -0.00 -1.42 113.62 115.47 1vdd n SER 15 Ca -0.02 0.37 -0.01 0.00 1.01 0.00 0.00 58.87 60.22 1vdd n SER 15 Cb 0.56 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 63.30 1vdd n SER 15 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1vdd h ARG 16 N 0.00 0.00 -6.71 1.43 3.08 -1.53 -3.45 114.38 107.20 1vdd h ARG 16 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1vdd h ARG 16 Cb 0.03 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.10 1vdd h ARG 16 CO 0.00 0.46 0.51 -0.51 -1.07 0.00 0.00 179.97 179.36 1vdd s LEU 17 N -6.14 4.49 0.86 3.04 1.43 -0.50 -5.01 118.68 116.85 1vdd s LEU 17 Ca -0.00 2.22 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 1vdd s LEU 17 Cb 0.08 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.80 1vdd s LEU 17 CO 0.79 -0.26 1.09 -2.16 0.23 0.00 0.00 176.35 176.05 1vdd s PRO 18 N -0.69 1.56 0.00 1.29 0.04 -1.26 -2.83 135.00 133.11 1vdd s PRO 18 Ca 0.49 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1vdd s PRO 18 Cb -0.32 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1vdd s PRO 18 CO 0.38 -2.02 0.00 0.41 0.04 0.00 0.00 177.00 175.81 1vdd n GLY 19 N -1.47 2.42 3.09 0.56 0.00 -1.26 -4.93 105.19 103.60 1vdd n GLY 19 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1vdd n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vdd s ILE 20 N -2.61 1.46 0.42 -0.61 1.01 -1.13 -5.09 121.20 114.65 1vdd s ILE 20 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1vdd s ILE 20 Cb 0.00 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1vdd s ILE 20 CO 0.00 0.43 0.06 -0.83 0.00 0.00 0.00 174.94 174.60 1vdd s GLY 21 N 0.56 2.61 0.06 6.18 0.00 -1.26 -4.64 107.32 110.83 1vdd s GLY 21 Ca -0.16 -1.28 -0.12 0.00 0.00 0.00 0.00 44.72 43.16 1vdd s GLY 21 CO 0.05 -1.97 1.03 -1.05 0.00 0.00 0.00 173.10 171.17 1vdd n PRO 22 N -0.97 -0.17 -0.02 2.90 -0.02 -1.26 0.54 135.00 135.99 1vdd n PRO 22 Ca -0.09 1.02 0.01 0.00 -2.02 0.00 0.00 63.50 62.42 1vdd n PRO 22 Cb 0.66 -1.51 0.34 0.00 -0.02 0.00 0.00 33.50 32.97 1vdd n PRO 22 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1vdd h LYS 23 N 0.00 0.58 -0.19 -0.52 3.64 -2.00 -2.44 116.57 115.64 1vdd h LYS 23 Ca 0.06 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1vdd h LYS 23 Cb 0.16 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1vdd h LYS 23 CO -0.37 0.49 -0.46 1.03 -2.27 0.00 0.00 179.45 177.88 1vdd h SER 24 N 0.57 0.51 -0.24 4.20 0.87 -1.06 -2.98 113.55 115.42 1vdd h SER 24 Ca 0.14 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1vdd h SER 24 Cb 0.15 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1vdd h SER 24 CO -0.01 0.90 0.12 0.00 -0.53 0.00 0.00 176.83 177.30 1vdd h ALA 25 N 1.12 0.30 -0.12 6.23 0.00 0.55 -2.59 119.26 124.76 1vdd h ALA 25 Ca 0.02 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1vdd h ALA 25 Cb 0.95 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1vdd h ALA 25 CO 0.08 -0.14 -0.35 0.37 0.00 0.00 0.00 179.25 179.21 1vdd h GLN 26 N 0.26 -0.41 -0.42 0.00 4.15 -1.41 -0.71 115.11 116.56 1vdd h GLN 26 Ca 0.08 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.62 1vdd h GLN 26 Cb 0.11 0.09 -0.09 0.00 0.21 0.00 0.00 27.48 27.80 1vdd h GLN 26 CO -0.01 -0.28 -0.24 0.00 -1.93 0.00 0.00 178.83 176.37 1vdd h ARG 27 N -0.43 -0.15 -0.26 1.69 2.47 -1.37 -0.21 114.38 116.11 1vdd h ARG 27 Ca 0.09 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.87 1vdd h ARG 27 Cb 0.57 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.87 1vdd h ARG 27 CO -0.36 -0.10 -0.10 -0.07 0.56 0.00 0.00 179.97 179.89 1vdd h LEU 28 N -0.16 -0.36 -0.67 3.04 3.38 -1.06 -0.17 115.31 119.32 1vdd h LEU 28 Ca 0.20 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.37 1vdd h LEU 28 Cb 0.47 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 1vdd h LEU 28 CO -0.52 -0.13 0.25 0.00 0.09 0.00 0.00 178.44 178.13 1vdd h ALA 29 N 1.17 0.89 0.00 1.53 0.00 0.17 0.38 119.26 123.40 1vdd h ALA 29 Ca 0.13 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1vdd h ALA 29 Cb 0.26 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1vdd h ALA 29 CO -0.30 -0.19 -0.05 0.74 0.00 0.00 0.00 179.25 179.45 1vdd h PHE 30 N 0.43 0.00 0.07 0.00 -1.00 -0.41 -2.12 116.94 113.90 1vdd h PHE 30 Ca 0.35 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.84 1vdd h PHE 30 Cb 0.47 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.05 1vdd h PHE 30 CO -0.17 0.05 -1.15 1.25 -1.61 0.00 0.00 178.31 176.68 1vdd h HIS 31 N 0.00 1.02 0.46 -0.55 2.76 0.14 -3.28 115.15 115.70 1vdd h HIS 31 Ca -0.00 -0.60 -0.02 0.00 -2.20 0.00 0.00 60.37 57.54 1vdd h HIS 31 Cb 0.62 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1vdd h HIS 31 CO 0.00 1.44 -0.22 -0.07 -1.30 0.00 0.00 177.93 177.78 1vdd h LEU 32 N 0.33 -0.52 -0.92 0.26 3.38 -0.29 -2.83 115.31 114.73 1vdd h LEU 32 Ca -0.16 -0.07 0.36 0.00 0.09 0.00 0.00 57.88 58.10 1vdd h LEU 32 Cb 1.82 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 42.56 1vdd h LEU 32 CO 0.22 -0.23 0.53 0.33 0.09 0.00 0.00 178.44 179.38 1vdd n PHE 33 N -5.28 0.88 0.93 1.13 7.35 -0.82 0.21 117.46 121.87 1vdd n PHE 33 Ca -0.11 0.89 0.13 0.00 -0.76 0.00 0.00 57.45 57.60 1vdd n PHE 33 Cb 0.29 -1.31 0.58 0.00 0.35 0.00 0.00 39.48 39.39 1vdd n PHE 33 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1vdd n GLU 34 N -4.77 0.01 -3.23 -4.13 1.02 -1.07 -4.88 120.64 103.59 1vdd n GLU 34 Ca 0.32 0.04 -0.32 0.00 -0.02 0.00 0.00 57.16 57.19 1vdd n GLU 34 Cb 1.14 -1.51 -0.05 0.00 -0.02 0.00 0.00 31.44 31.00 1vdd n GLU 34 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1vdd s GLN 35 N -3.00 3.85 1.06 3.49 -1.52 0.57 -5.06 119.66 119.04 1vdd s GLN 35 Ca 0.13 0.41 -0.12 0.00 -1.95 0.00 0.00 55.36 53.84 1vdd s GLN 35 Cb 0.18 -2.53 0.22 0.00 -0.22 0.00 0.00 33.01 30.66 1vdd s GLN 35 CO 0.50 0.20 1.07 -1.25 -0.25 0.00 0.00 175.29 175.56 1vdd s PRO 36 N -3.10 -0.09 0.43 2.91 0.04 -1.26 -4.85 135.00 129.09 1vdd s PRO 36 Ca 0.50 1.08 0.12 0.00 0.04 0.00 0.00 61.00 62.74 1vdd s PRO 36 Cb -0.11 -1.63 0.94 0.00 0.04 0.00 0.00 34.50 33.74 1vdd s PRO 36 CO 0.22 -3.24 1.99 -0.09 0.04 0.00 0.00 177.00 175.92 1vdd h ARG 37 N -2.28 0.15 -0.17 4.56 2.43 -1.97 -2.84 114.38 114.25 1vdd h ARG 37 Ca -0.54 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 58.46 1vdd h ARG 37 Cb 1.31 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1vdd h ARG 37 CO 0.48 0.25 -0.50 0.93 -1.51 0.00 0.00 179.97 179.62 1vdd h GLU 38 N 0.14 0.46 0.04 0.20 3.07 -1.97 -0.43 114.58 116.10 1vdd h GLU 38 Ca 0.03 -0.27 -0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1vdd h GLU 38 Cb 0.26 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1vdd h GLU 38 CO 0.01 0.86 -0.02 -0.44 -1.40 0.00 0.00 179.01 178.02 1vdd h ASP 39 N 0.37 -0.05 -0.75 1.42 5.19 -1.86 0.34 116.42 121.08 1vdd h ASP 39 Ca 0.02 -0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.22 1vdd h ASP 39 Cb 1.01 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.50 1vdd h ASP 39 CO 0.09 0.13 0.28 0.40 -3.12 0.00 0.00 179.24 177.02 1vdd h ILE 40 N -0.23 1.26 -0.04 0.35 1.08 -1.50 -0.85 117.51 117.58 1vdd h ILE 40 Ca -0.01 -0.85 -0.13 0.00 -0.39 0.00 0.00 64.86 63.49 1vdd h ILE 40 Cb 0.21 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 1vdd h ILE 40 CO 0.01 0.34 -0.57 -0.33 -0.69 0.00 0.00 178.15 176.91 1vdd h GLU 41 N 1.10 0.12 0.00 2.37 5.08 -0.91 -0.90 114.58 121.44 1vdd h GLU 41 Ca 0.25 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1vdd h GLU 41 Cb 0.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1vdd h GLU 41 CO -0.02 0.66 0.00 -0.09 -1.00 0.00 0.00 179.01 178.56 1vdd h ARG 42 N 0.09 0.00 0.12 2.33 2.43 0.12 -1.41 114.38 118.07 1vdd h ARG 42 Ca -0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.85 1vdd h ARG 42 Cb 1.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1vdd h ARG 42 CO 0.08 0.00 -1.65 1.25 -1.51 0.00 0.00 179.97 178.14 1vdd h LEU 43 N 0.00 0.39 0.01 3.80 6.46 -0.88 -3.11 115.31 121.98 1vdd h LEU 43 Ca 0.00 -0.87 -0.00 0.00 -0.12 0.00 0.00 57.88 56.89 1vdd h LEU 43 Cb 0.80 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1vdd h LEU 43 CO 0.00 1.72 -0.01 0.00 -0.62 0.00 0.00 178.44 179.53 1vdd h ALA 44 N -0.03 -0.01 0.00 1.25 0.00 -1.17 -2.35 119.26 116.94 1vdd h ALA 44 Ca -0.36 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1vdd h ALA 44 Cb 1.86 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1vdd h ALA 44 CO 0.06 -0.46 -0.22 0.66 0.00 0.00 0.00 179.25 179.28 1vdd h SER 45 N -0.11 0.00 0.42 0.00 4.64 -1.42 -2.32 113.55 114.76 1vdd h SER 45 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1vdd h SER 45 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1vdd h SER 45 CO 0.00 0.22 -0.48 0.00 -0.87 0.00 0.00 176.83 175.70 1vdd h ALA 46 N 1.78 1.14 0.02 5.18 0.00 -1.36 -0.63 119.26 125.38 1vdd h ALA 46 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1vdd h ALA 46 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1vdd h ALA 46 CO 0.03 0.62 -0.01 -0.07 0.00 0.00 0.00 179.25 179.82 1vdd h LEU 47 N 0.06 -0.02 -1.64 0.00 3.38 -1.04 -2.28 115.31 113.78 1vdd h LEU 47 Ca 0.00 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 1vdd h LEU 47 Cb 0.88 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1vdd h LEU 47 CO 0.07 0.55 -0.15 -0.07 0.09 0.00 0.00 178.44 178.93 1vdd h LEU 48 N -0.62 0.03 -0.23 1.67 3.38 -1.49 -1.98 115.31 116.08 1vdd h LEU 48 Ca -0.00 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1vdd h LEU 48 Cb 0.58 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1vdd h LEU 48 CO 0.00 0.19 -0.91 -0.08 0.09 0.00 0.00 178.44 177.74 1vdd h GLU 49 N 0.04 0.23 -0.04 1.13 4.81 -1.09 -2.08 114.58 117.58 1vdd h GLU 49 Ca 0.01 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1vdd h GLU 49 Cb 0.29 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1vdd h GLU 49 CO 0.02 0.99 -0.00 0.00 -0.73 0.00 0.00 179.01 179.29 1vdd h ALA 50 N 0.91 0.05 0.06 2.92 0.00 -0.78 -0.72 119.26 121.70 1vdd h ALA 50 Ca -0.05 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1vdd h ALA 50 Cb 1.55 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 1vdd h ALA 50 CO 0.14 -0.27 -0.19 -0.22 0.00 0.00 0.00 179.25 178.71 1vdd h LYS 51 N -0.24 -0.33 -0.30 0.00 3.11 -1.43 0.28 116.57 117.67 1vdd h LYS 51 Ca 0.01 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.87 1vdd h LYS 51 Cb 0.34 0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.63 1vdd h LYS 51 CO 0.00 -0.22 0.15 -0.09 -2.81 0.00 0.00 179.45 176.48 1vdd h ARG 52 N -0.34 0.40 0.00 1.90 2.43 -1.34 -3.29 114.38 114.14 1vdd h ARG 52 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1vdd h ARG 52 Cb 0.38 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1vdd h ARG 52 CO -0.14 0.31 -0.68 -0.25 -1.51 0.00 0.00 179.97 177.70 1vdd n ASP 53 N -4.45 0.81 -4.87 -3.80 8.00 -0.28 -5.01 116.55 106.95 1vdd n ASP 53 Ca 0.01 -0.65 -0.34 0.00 0.71 0.00 0.00 54.79 54.53 1vdd n ASP 53 Cb 0.10 1.08 -0.05 0.00 -0.02 0.00 0.00 41.12 42.23 1vdd n ASP 53 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1vdd s LEU 54 N -2.73 4.34 -0.21 0.64 1.02 0.97 -4.09 118.68 118.62 1vdd s LEU 54 Ca 0.03 0.73 -0.30 0.00 0.02 0.00 0.00 54.13 54.61 1vdd s LEU 54 Cb 0.08 -2.99 0.15 0.00 0.02 0.00 0.00 46.19 43.45 1vdd s LEU 54 CO 0.46 0.16 1.16 -1.38 0.02 0.00 0.00 176.35 176.78 1vdd s HIS 55 N -1.42 -0.21 0.33 0.29 -3.43 -0.33 -4.87 115.29 105.65 1vdd s HIS 55 Ca 0.33 0.32 -0.29 0.00 -0.80 0.00 0.00 55.06 54.63 1vdd s HIS 55 Cb -0.14 0.48 -0.10 0.00 -1.43 0.00 0.00 32.58 31.39 1vdd s HIS 55 CO 0.19 -0.21 1.36 0.14 -2.00 0.00 0.00 174.74 174.22 1vdd s VAL 56 N -1.31 2.58 0.01 -5.38 -7.23 -1.26 -1.79 120.40 106.03 1vdd s VAL 56 Ca 0.04 0.57 -0.30 0.00 -1.81 0.00 0.00 61.98 60.49 1vdd s VAL 56 Cb -0.01 -3.37 -0.08 0.00 0.56 0.00 0.00 36.38 33.49 1vdd s VAL 56 CO -0.03 0.13 1.84 0.00 -0.31 0.00 0.00 175.10 176.73 1vdd h PRO 58 N 10.04 0.00 0.02 0.00 0.13 -1.91 0.48 132.00 140.76 1vdd h PRO 58 Ca -0.46 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.28 1vdd h PRO 58 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 1vdd h PRO 58 CO 0.94 0.00 -2.35 -0.89 -0.23 0.00 0.00 178.00 175.47 1vdd n ILE 59 N -2.31 1.55 -0.09 -3.56 5.41 -1.26 -4.76 119.36 114.35 1vdd n ILE 59 Ca -0.01 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.20 1vdd n ILE 59 Cb 0.19 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 1vdd n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vdd n PHE 61 N -0.14 -0.37 -1.92 0.00 3.01 0.17 -0.78 117.46 117.42 1vdd n PHE 61 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 1vdd n PHE 61 Cb 0.02 -3.35 0.02 0.00 -0.01 0.00 0.00 39.48 36.16 1vdd n PHE 61 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1vdd s ASN 62 N -2.53 5.98 0.47 4.37 3.84 -1.26 -4.50 114.94 121.31 1vdd s ASN 62 Ca 0.00 1.29 -0.22 0.00 0.21 0.00 0.00 52.86 54.14 1vdd s ASN 62 Cb 0.00 -2.28 -0.07 0.00 -0.55 0.00 0.00 41.25 38.35 1vdd s ASN 62 CO 0.00 -1.00 1.13 -0.63 -2.79 0.00 0.00 177.10 173.81 1vdd s ILE 63 N -3.21 3.25 0.07 -5.21 -1.09 -1.26 0.01 121.20 113.76 1vdd s ILE 63 Ca 0.56 0.90 -0.27 0.00 -2.23 0.00 0.00 60.65 59.61 1vdd s ILE 63 Cb -0.11 -3.44 0.08 0.00 -1.58 0.00 0.00 42.46 37.42 1vdd s ILE 63 CO 0.53 -0.05 0.92 0.28 -1.23 0.00 0.00 174.94 175.39 1vdd s THR 64 N -1.63 0.00 -0.15 2.92 -1.32 -0.74 -4.77 115.64 109.95 1vdd s THR 64 Ca 0.65 -0.31 0.18 0.00 -1.21 0.00 0.00 61.69 60.99 1vdd s THR 64 Cb -0.26 -1.48 0.32 0.00 -1.51 0.00 0.00 72.50 69.57 1vdd s THR 64 CO 0.31 0.00 1.18 -0.90 -2.21 0.00 0.00 174.62 173.00 1vdd n ASP 65 N -0.36 2.33 -3.69 8.08 3.85 -1.26 -1.18 116.55 124.32 1vdd n ASP 65 Ca -0.08 -3.22 -0.16 0.00 -0.71 0.00 0.00 54.79 50.62 1vdd n ASP 65 Cb 0.61 -0.45 -0.09 0.00 -1.35 0.00 0.00 41.12 39.84 1vdd n ASP 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1vdd s ALA 66 N -2.94 1.58 0.17 2.12 0.00 -1.26 -4.97 121.76 116.47 1vdd s ALA 66 Ca 0.34 -1.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.23 1vdd s ALA 66 Cb 0.30 1.44 0.13 0.00 0.00 0.00 0.00 23.12 24.99 1vdd s ALA 66 CO 0.02 -0.64 1.75 1.49 0.00 0.00 0.00 175.76 178.39 1vdd h GLU 67 N 2.33 0.34 -6.60 0.00 4.81 -1.99 -3.42 114.58 110.05 1vdd h GLU 67 Ca -0.29 -0.02 -0.64 0.00 -0.13 0.00 0.00 59.36 58.28 1vdd h GLU 67 Cb 1.24 -0.08 -0.21 0.00 0.63 0.00 0.00 28.75 30.34 1vdd h GLU 67 CO 0.43 0.22 -0.84 0.15 -0.73 0.00 0.00 179.01 178.24 1vdd s LYS 68 N -6.14 1.37 0.85 1.92 3.01 -1.26 -4.18 119.74 115.30 1vdd s LYS 68 Ca -0.13 -1.37 -0.12 0.00 -1.01 0.00 0.00 55.97 53.35 1vdd s LYS 68 Cb 0.14 -1.73 0.10 0.00 -1.01 0.00 0.00 37.83 35.32 1vdd s LYS 68 CO 0.72 0.40 1.10 0.00 0.51 0.00 0.00 175.35 178.08 1vdd h ASP 70 N -1.29 -1.19 0.48 0.00 3.58 -1.97 -0.61 116.42 115.42 1vdd h ASP 70 Ca -0.48 0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 1vdd h ASP 70 Cb 1.29 0.57 -0.01 0.00 1.72 0.00 0.00 39.33 42.89 1vdd h ASP 70 CO 0.59 -0.32 -0.33 0.58 -2.88 0.00 0.00 179.24 176.88 1vdd h VAL 71 N -0.22 0.32 -0.49 2.25 2.07 -1.95 -1.71 116.25 116.51 1vdd h VAL 71 Ca 0.20 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.84 1vdd h VAL 71 Cb 0.55 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1vdd h VAL 71 CO -0.62 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.32 1vdd n ALA 73 N -2.59 3.15 -2.16 0.00 0.00 -0.27 -4.83 120.51 113.80 1vdd n ALA 73 Ca 0.08 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1vdd n ALA 73 Cb 0.48 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 1vdd n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1vdd s ASP 74 N -3.88 5.90 0.30 0.00 3.68 -0.67 -4.90 116.67 117.09 1vdd s ASP 74 Ca 0.07 0.78 0.06 0.00 2.13 0.00 0.00 52.55 55.59 1vdd s ASP 74 Cb 0.15 -2.53 0.75 0.00 -1.45 0.00 0.00 42.92 39.83 1vdd s ASP 74 CO 0.73 -1.80 1.77 1.55 0.13 0.00 0.00 175.17 177.55 1vdd h PRO 75 N 12.51 0.71 -1.99 4.34 0.13 -1.88 -2.96 132.00 142.87 1vdd h PRO 75 Ca -0.29 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 64.58 1vdd h PRO 75 Cb 1.14 -0.16 -0.08 0.00 0.13 0.00 0.00 31.00 32.03 1vdd h PRO 75 CO 1.11 0.47 -0.21 -1.13 -0.23 0.00 0.00 178.00 178.02 1vdd n SER 76 N -4.79 5.46 -4.29 1.44 3.41 -1.26 -4.87 113.62 108.72 1vdd n SER 76 Ca 0.24 -2.59 -0.25 0.00 -0.26 0.00 0.00 58.87 56.00 1vdd n SER 76 Cb 0.59 -1.35 -0.13 0.00 -0.26 0.00 0.00 64.21 63.06 1vdd n SER 76 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1vdd s ARG 77 N 0.41 1.29 -1.08 4.33 1.81 -1.12 -5.02 118.95 119.58 1vdd s ARG 77 Ca 0.56 -1.10 -0.23 0.00 -1.72 0.00 0.00 55.73 53.24 1vdd s ARG 77 Cb 0.28 -1.52 -0.03 0.00 -0.45 0.00 0.00 34.95 33.23 1vdd s ARG 77 CO -0.03 0.37 1.85 0.34 -0.68 0.00 0.00 175.30 177.15 1vdd s ASP 78 N -1.62 5.50 0.00 0.23 -1.08 0.02 -4.75 116.67 114.97 1vdd s ASP 78 Ca 0.08 -1.39 0.04 0.00 -0.52 0.00 0.00 52.55 50.76 1vdd s ASP 78 Cb -0.10 -2.58 0.24 0.00 -1.46 0.00 0.00 42.92 39.03 1vdd s ASP 78 CO 0.03 -2.51 0.66 0.00 0.52 0.00 0.00 175.17 173.88 1vdd n GLN 79 N 8.58 0.14 0.01 4.34 3.00 -1.26 -2.27 117.38 129.93 1vdd n GLN 79 Ca 0.42 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.32 1vdd n GLN 79 Cb 0.47 -1.43 -0.13 0.00 0.00 0.00 0.00 30.24 29.15 1vdd n GLN 79 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 1vdd h ARG 80 N 0.00 0.03 -6.36 -1.09 2.43 -1.92 -3.47 114.38 104.00 1vdd h ARG 80 Ca 0.00 -0.05 -0.69 0.00 -0.81 0.00 0.00 59.98 58.43 1vdd h ARG 80 Cb 0.00 0.02 -0.21 0.00 -0.42 0.00 0.00 29.97 29.36 1vdd h ARG 80 CO 0.00 0.72 -0.76 0.95 -1.51 0.00 0.00 179.97 179.38 1vdd s THR 81 N -2.63 3.19 -0.15 0.20 -4.23 -0.96 -2.09 115.64 108.97 1vdd s THR 81 Ca -0.04 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1vdd s THR 81 Cb 0.08 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.64 1vdd s THR 81 CO 0.82 0.48 -0.12 -0.63 -0.54 0.00 0.00 174.62 174.64 1vdd s ILE 82 N -0.85 1.47 -0.36 2.99 1.01 -0.06 -1.77 121.20 123.63 1vdd s ILE 82 Ca 0.14 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 1vdd s ILE 82 Cb -0.11 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 1vdd s ILE 82 CO 0.03 0.39 0.31 0.00 0.00 0.00 0.00 174.94 175.67 1vdd s VAL 84 N 1.84 4.89 0.30 0.00 1.01 -0.48 -2.21 120.40 125.75 1vdd s VAL 84 Ca 0.08 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.57 1vdd s VAL 84 Cb -0.17 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1vdd s VAL 84 CO 0.11 0.33 0.11 0.68 0.00 0.00 0.00 175.10 176.33 1vdd s VAL 85 N 0.26 0.65 -0.02 2.92 -7.23 -0.62 -0.56 120.40 115.80 1vdd s VAL 85 Ca 0.37 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1vdd s VAL 85 Cb -0.19 -2.61 -0.00 0.00 0.56 0.00 0.00 36.38 34.14 1vdd s VAL 85 CO 0.20 0.00 -0.01 -0.33 -0.31 0.00 0.00 175.10 174.64 1vdd h GLU 86 N 2.22 0.00 -6.42 4.82 5.08 -1.85 -1.53 114.58 116.90 1vdd h GLU 86 Ca -0.37 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.52 1vdd h GLU 86 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1vdd h GLU 86 CO 0.60 0.00 -0.26 -1.21 -1.00 0.00 0.00 179.01 177.14 1vdd s GLU 87 N -1.14 3.44 0.33 2.33 0.41 -1.26 -0.01 118.70 122.79 1vdd s GLU 87 Ca -0.01 -0.49 0.07 0.00 -0.41 0.00 0.00 54.97 54.13 1vdd s GLU 87 Cb 0.00 -2.73 0.57 0.00 -1.78 0.00 0.00 34.13 30.19 1vdd s GLU 87 CO 0.02 0.21 1.79 -1.00 -0.49 0.00 0.00 175.26 175.78 1vdd h PRO 88 N 0.86 0.29 -0.04 0.39 0.13 -1.93 -1.78 132.00 129.93 1vdd h PRO 88 Ca -0.50 -0.10 0.01 0.00 -0.87 0.00 0.00 66.00 64.54 1vdd h PRO 88 Cb 1.22 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1vdd h PRO 88 CO 0.61 0.54 0.30 0.78 -0.23 0.00 0.00 178.00 180.00 1vdd h GLY 89 N 1.01 0.00 0.91 1.56 0.00 -2.01 0.41 103.07 104.95 1vdd h GLY 89 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 1vdd h GLY 89 CO 0.04 0.00 -0.00 -0.55 0.00 0.00 0.00 176.54 176.03 1vdd h ASP 90 N 0.00 0.59 -0.15 0.19 3.32 -1.71 -2.27 116.42 116.39 1vdd h ASP 90 Ca 0.02 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 56.80 1vdd h ASP 90 Cb 0.61 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1vdd h ASP 90 CO -0.00 0.76 0.11 0.58 -1.72 0.00 0.00 179.24 178.97 1vdd h VAL 91 N 0.41 0.86 -0.49 -1.35 2.07 -1.06 -0.86 116.25 115.83 1vdd h VAL 91 Ca 0.10 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.53 1vdd h VAL 91 Cb 0.46 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1vdd h VAL 91 CO 0.02 0.00 -0.05 0.40 0.02 0.00 0.00 177.57 177.96 1vdd h ILE 92 N 0.00 1.27 0.24 4.57 1.08 -1.38 -1.32 117.51 121.97 1vdd h ILE 92 Ca 0.07 -1.15 -0.01 0.00 -0.39 0.00 0.00 64.86 63.38 1vdd h ILE 92 Cb 0.30 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1vdd h ILE 92 CO -0.00 0.40 -0.12 0.00 -0.69 0.00 0.00 178.15 177.74 1vdd h ALA 93 N 0.91 -0.32 0.00 1.87 0.00 -0.91 0.06 119.26 120.88 1vdd h ALA 93 Ca 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1vdd h ALA 93 Cb 0.58 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1vdd h ALA 93 CO 0.03 -0.42 -0.13 -0.07 0.00 0.00 0.00 179.25 178.66 1vdd h LEU 94 N -0.85 0.00 0.06 0.00 3.38 -1.39 -1.58 115.31 114.95 1vdd h LEU 94 Ca -0.03 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 1vdd h LEU 94 Cb 0.51 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.28 1vdd h LEU 94 CO 0.05 0.13 -0.84 -0.33 0.09 0.00 0.00 178.44 177.55 1vdd h GLU 95 N 0.00 0.45 0.00 1.13 4.39 -1.25 -2.63 114.58 116.68 1vdd h GLU 95 Ca -0.00 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.12 1vdd h GLU 95 Cb 0.26 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1vdd h GLU 95 CO 0.02 1.22 0.00 -2.13 -1.16 0.00 0.00 179.01 176.96 1vdd n ARG 96 N -4.07 0.33 0.01 2.33 0.63 0.01 -0.73 116.66 115.17 1vdd n ARG 96 Ca -0.12 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.84 1vdd n ARG 96 Cb 0.80 -1.35 -0.11 0.00 0.45 0.00 0.00 32.46 32.25 1vdd n ARG 96 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1vdd n SER 97 N -0.85 0.46 0.00 6.15 2.88 -0.66 -4.97 113.62 116.63 1vdd n SER 97 Ca 0.06 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1vdd n SER 97 Cb 0.03 0.89 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 1vdd n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vdd n GLY 98 N 1.38 0.04 0.06 0.46 0.00 0.09 -4.74 105.19 102.48 1vdd n GLY 98 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1vdd n GLY 98 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vdd n GLU 99 N -0.83 0.35 -4.46 1.61 -0.58 -1.26 -4.87 120.64 110.60 1vdd n GLU 99 Ca 0.00 0.05 -0.34 0.00 -0.42 0.00 0.00 57.16 56.45 1vdd n GLU 99 Cb 0.20 -1.67 -0.12 0.00 -0.57 0.00 0.00 31.44 29.28 1vdd n GLU 99 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1vdd s TYR 100 N -3.22 3.02 -0.06 -0.32 5.04 -1.26 -4.97 117.35 115.58 1vdd s TYR 100 Ca 0.04 -0.15 0.10 0.00 -2.44 0.00 0.00 57.07 54.62 1vdd s TYR 100 Cb 0.13 -1.87 0.18 0.00 0.35 0.00 0.00 41.96 40.75 1vdd s TYR 100 CO 0.76 0.13 1.09 2.89 -1.34 0.00 0.00 175.55 179.08 1vdd n ARG 101 N 3.00 0.55 -0.18 4.97 1.85 -1.26 -4.94 116.66 120.65 1vdd n ARG 101 Ca -0.18 -1.82 0.00 0.00 -1.00 0.00 0.00 57.85 54.85 1vdd n ARG 101 Cb 0.53 -0.86 0.00 0.00 -1.05 0.00 0.00 32.46 31.08 1vdd n ARG 101 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1vdd n GLY 102 N -0.50 2.58 4.03 2.89 0.00 -1.26 -0.80 105.19 112.13 1vdd n GLY 102 Ca 0.07 -2.05 -0.19 0.00 0.00 0.00 0.00 46.02 43.85 1vdd n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vdd s LEU 103 N 0.00 3.18 0.29 0.99 1.43 -0.73 -4.73 118.68 119.11 1vdd s LEU 103 Ca 0.00 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.33 1vdd s LEU 103 Cb 0.00 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1vdd s LEU 103 CO 0.00 -1.25 0.13 -0.31 0.23 0.00 0.00 176.35 175.15 1vdd s TYR 104 N -2.62 1.58 -0.25 0.29 1.51 -1.26 -1.32 117.35 115.29 1vdd s TYR 104 Ca 0.60 -1.28 -0.06 0.00 -1.01 0.00 0.00 57.07 55.32 1vdd s TYR 104 Cb -0.06 -0.89 0.13 0.00 -0.11 0.00 0.00 41.96 41.02 1vdd s TYR 104 CO 0.38 -0.43 0.49 -1.58 -1.11 0.00 0.00 175.55 173.30 1vdd s HIS 105 N -3.65 -1.07 -0.38 2.71 2.46 -0.94 -4.67 115.29 109.75 1vdd s HIS 105 Ca 0.36 1.58 -0.15 0.00 0.47 0.00 0.00 55.06 57.32 1vdd s HIS 105 Cb 0.06 0.40 0.00 0.00 -0.13 0.00 0.00 32.58 32.91 1vdd s HIS 105 CO 0.16 -0.65 0.33 0.08 -2.47 0.00 0.00 174.74 172.19 1vdd s VAL 106 N 2.70 5.21 0.33 0.89 1.01 0.04 -1.58 120.40 129.00 1vdd s VAL 106 Ca 0.05 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.79 1vdd s VAL 106 Cb -0.13 -3.87 0.07 0.00 0.00 0.00 0.00 36.38 32.45 1vdd s VAL 106 CO -0.16 -0.20 1.77 -0.07 0.00 0.00 0.00 175.10 176.43 1vdd h LEU 107 N 8.71 0.21 -1.95 3.92 3.38 -1.33 -3.43 115.31 124.82 1vdd h LEU 107 Ca -0.29 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.43 1vdd h LEU 107 Cb 1.13 -0.06 0.10 0.00 0.09 0.00 0.00 40.66 41.92 1vdd h LEU 107 CO 0.71 0.54 -0.43 1.41 0.09 0.00 0.00 178.44 180.76 1vdd n HIS 108 N -4.09 -1.23 0.00 1.13 8.25 0.98 -1.48 115.22 118.78 1vdd n HIS 108 Ca -0.01 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 1vdd n HIS 108 Cb 0.42 -3.66 0.00 0.00 1.12 0.00 0.00 29.99 27.88 1vdd n HIS 108 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vdd n GLY 109 N -1.12 1.64 3.40 -1.41 0.00 -1.04 -4.84 105.19 101.82 1vdd n GLY 109 Ca -0.14 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.63 1vdd n GLY 109 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vdd s VAL 110 N -1.34 1.46 0.22 1.61 -7.23 -1.26 -4.73 120.40 109.12 1vdd s VAL 110 Ca 0.00 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 57.78 1vdd s VAL 110 Cb 0.00 -2.41 -0.09 0.00 0.56 0.00 0.00 36.38 34.44 1vdd s VAL 110 CO 0.00 -0.31 1.24 -0.76 -0.31 0.00 0.00 175.10 174.96 1vdd s LEU 111 N -3.40 4.45 -0.40 1.32 1.43 -1.26 -4.92 118.68 115.90 1vdd s LEU 111 Ca 0.29 2.35 0.03 0.00 -1.03 0.00 0.00 54.13 55.77 1vdd s LEU 111 Cb 0.04 -3.62 0.16 0.00 0.03 0.00 0.00 46.19 42.81 1vdd s LEU 111 CO 0.11 -0.42 0.35 -0.55 0.23 0.00 0.00 176.35 176.07 1vdd s SER 112 N 0.01 1.47 0.19 2.29 0.15 -0.31 -4.77 113.70 112.74 1vdd s SER 112 Ca 0.53 -2.36 -0.13 0.00 0.70 0.00 0.00 55.95 54.68 1vdd s SER 112 Cb -0.35 0.04 0.21 0.00 -1.71 0.00 0.00 66.02 64.21 1vdd s SER 112 CO 0.40 -0.22 1.66 1.55 1.20 0.00 0.00 173.24 177.83 1vdd h PRO 113 N 6.27 0.07 0.00 5.44 0.13 -1.94 -0.58 132.00 141.38 1vdd h PRO 113 Ca 0.14 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1vdd h PRO 113 Cb 0.98 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1vdd h PRO 113 CO 0.26 0.05 0.02 0.52 -0.23 0.00 0.00 178.00 178.63 1vdd h MET 114 N 0.07 0.00 -0.14 0.86 2.86 -1.95 -0.79 114.93 115.84 1vdd h MET 114 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1vdd h MET 114 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1vdd h MET 114 CO -0.49 0.00 0.00 0.09 1.06 0.00 0.00 176.91 177.57 1vdd n ASN 115 N -2.59 2.80 -3.55 1.22 3.02 -0.33 -4.98 115.26 110.85 1vdd n ASN 115 Ca -0.02 -2.61 -0.21 0.00 -0.03 0.00 0.00 54.58 51.71 1vdd n ASN 115 Cb 0.07 -0.32 0.08 0.00 -0.61 0.00 0.00 39.78 38.99 1vdd n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vdd n GLY 116 N -0.60 -0.43 3.06 7.41 0.00 -0.30 -4.97 105.19 109.36 1vdd n GLY 116 Ca 0.13 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 1vdd n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vdd s VAL 117 N -3.38 2.47 0.50 1.61 1.01 -0.60 -5.02 120.40 116.99 1vdd s VAL 117 Ca 0.25 -2.08 0.07 0.00 0.00 0.00 0.00 61.98 60.22 1vdd s VAL 117 Cb -0.11 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.65 1vdd s VAL 117 CO 0.75 -0.45 0.60 0.61 0.00 0.00 0.00 175.10 176.60 1vdd n GLY 118 N 4.37 2.22 0.33 4.51 0.00 -1.26 -1.16 105.19 114.20 1vdd n GLY 118 Ca -0.02 -2.24 0.17 0.00 0.00 0.00 0.00 46.02 43.93 1vdd n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vdd h PRO 119 N 0.00 0.00 0.00 1.61 0.13 -1.96 -1.79 132.00 129.99 1vdd h PRO 119 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1vdd h PRO 119 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1vdd h PRO 119 CO 0.39 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.54 1vdd h ASP 120 N 0.00 0.00 -0.71 1.44 3.04 -2.01 -2.71 116.42 115.47 1vdd h ASP 120 Ca 0.06 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.85 1vdd h ASP 120 Cb 0.38 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.67 1vdd h ASP 120 CO -0.00 0.00 0.00 0.29 -2.04 0.00 0.00 179.24 177.49 1vdd n LYS 121 N -2.43 3.15 -4.22 4.15 5.02 -0.67 -4.88 118.16 118.28 1vdd n LYS 121 Ca 0.02 -2.77 -0.18 0.00 -2.02 0.00 0.00 58.31 53.36 1vdd n LYS 121 Cb 0.25 -1.71 -0.12 0.00 -0.02 0.00 0.00 35.03 33.43 1vdd n LYS 121 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1vdd s LEU 122 N -1.35 2.23 -0.90 -0.35 1.43 -1.02 -4.94 118.68 113.79 1vdd s LEU 122 Ca 0.50 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.89 1vdd s LEU 122 Cb 0.29 -0.50 -0.11 0.00 0.03 0.00 0.00 46.19 45.89 1vdd s LEU 122 CO 0.30 -0.05 2.02 1.41 0.23 0.00 0.00 176.35 180.26 1vdd n HIS 123 N 1.55 1.96 -0.05 0.29 8.25 -0.55 -4.37 115.22 122.29 1vdd n HIS 123 Ca -0.20 -2.00 -0.21 0.00 -0.26 0.00 0.00 57.72 55.05 1vdd n HIS 123 Cb 0.54 -1.81 -0.13 0.00 1.12 0.00 0.00 29.99 29.72 1vdd n HIS 123 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1vdd h ILE 124 N 4.17 0.90 -0.57 1.59 2.04 -1.86 -3.40 117.51 120.38 1vdd h ILE 124 Ca 0.46 -2.27 0.12 0.00 1.00 0.00 0.00 64.86 64.17 1vdd h ILE 124 Cb 0.55 2.44 -0.11 0.00 -0.74 0.00 0.00 36.82 38.96 1vdd h ILE 124 CO 1.84 0.55 -0.11 0.50 0.00 0.00 0.00 178.15 180.92 1vdd h LYS 125 N -0.60 0.02 0.00 2.37 3.64 -1.85 -0.32 116.57 119.83 1vdd h LYS 125 Ca -0.34 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1vdd h LYS 125 Cb 1.56 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1vdd h LYS 125 CO -0.08 0.01 0.00 -0.35 -2.27 0.00 0.00 179.45 176.77 1vdd n PRO 126 N -5.37 0.50 -0.02 1.90 -0.04 -1.26 -2.18 135.00 128.53 1vdd n PRO 126 Ca 0.07 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 1vdd n PRO 126 Cb 0.31 -1.24 -0.15 0.00 -0.04 0.00 0.00 33.50 32.38 1vdd n PRO 126 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1vdd n LEU 127 N -0.74 0.10 -0.12 1.53 -0.00 -0.13 -4.46 117.00 113.18 1vdd n LEU 127 Ca 0.06 0.04 -0.12 0.00 -0.00 0.00 0.00 56.01 55.99 1vdd n LEU 127 Cb 0.03 0.10 -0.02 0.00 -0.00 0.00 0.00 43.42 43.52 1vdd n LEU 127 CO 0.04 0.09 0.64 -0.07 -0.00 0.00 0.00 177.39 178.09 1vdd h LEU 128 N 0.00 0.82 0.00 -1.96 3.38 -1.47 -2.98 115.31 113.10 1vdd h LEU 128 Ca -0.11 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1vdd h LEU 128 Cb 1.27 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1vdd h LEU 128 CO 0.01 1.06 0.00 -0.81 0.09 0.00 0.00 178.44 178.79 1vdd n PRO 129 N -4.25 0.05 0.03 1.13 -0.04 -1.26 -2.13 135.00 128.51 1vdd n PRO 129 Ca -0.02 0.26 0.03 0.00 -0.04 0.00 0.00 63.50 63.73 1vdd n PRO 129 Cb 0.43 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 1vdd n PRO 129 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1vdd n ARG 130 N -1.45 0.63 -3.22 0.54 1.74 -1.13 -4.90 116.66 108.88 1vdd n ARG 130 Ca 0.04 0.12 -0.39 0.00 -0.77 0.00 0.00 57.85 56.85 1vdd n ARG 130 Cb 0.13 -1.74 -0.05 0.00 -1.02 0.00 0.00 32.46 29.77 1vdd n ARG 130 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1vdd s VAL 131 N -3.05 5.13 0.29 1.55 1.01 -0.91 -5.05 120.40 119.37 1vdd s VAL 131 Ca -0.04 1.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.96 1vdd s VAL 131 Cb 0.09 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1vdd s VAL 131 CO 0.82 0.31 0.54 -0.83 0.00 0.00 0.00 175.10 175.94 1vdd s GLY 132 N 0.62 0.67 0.40 4.51 0.00 -1.26 -4.97 107.32 107.30 1vdd s GLY 132 Ca 0.30 -0.95 -0.27 0.00 0.00 0.00 0.00 44.72 43.80 1vdd s GLY 132 CO 0.13 -0.62 1.39 1.20 0.00 0.00 0.00 173.10 175.20 1vdd s GLN 133 N -3.57 3.96 0.00 2.90 -0.21 -1.08 -3.28 119.66 118.39 1vdd s GLN 133 Ca 0.22 2.35 0.00 0.00 0.02 0.00 0.00 55.36 57.96 1vdd s GLN 133 Cb -0.02 -2.82 0.00 0.00 1.00 0.00 0.00 33.01 31.18 1vdd s GLN 133 CO 0.12 -0.57 0.00 0.41 -2.12 0.00 0.00 175.29 173.13 1vdd n GLY 134 N 0.60 0.79 3.33 3.09 0.00 -1.25 -4.90 105.19 106.85 1vdd n GLY 134 Ca 0.03 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 1vdd n GLY 134 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1vdd s MET 135 N -1.11 1.46 -0.08 1.61 -1.94 -1.20 -4.95 119.30 113.09 1vdd s MET 135 Ca 0.00 -1.80 0.01 0.00 -1.71 0.00 0.00 55.69 52.19 1vdd s MET 135 Cb 0.00 -0.28 0.02 0.00 2.01 0.00 0.00 34.83 36.58 1vdd s MET 135 CO 0.00 -0.31 -0.07 -2.00 -0.01 0.00 0.00 175.02 172.62 1vdd s GLU 136 N -3.99 1.29 -0.37 2.03 2.12 -0.89 0.83 118.70 119.72 1vdd s GLU 136 Ca 0.37 -0.22 -0.12 0.00 0.36 0.00 0.00 54.97 55.36 1vdd s GLU 136 Cb 0.07 -1.26 0.02 0.00 0.26 0.00 0.00 34.13 33.22 1vdd s GLU 136 CO 0.14 -0.13 0.22 0.08 -0.54 0.00 0.00 175.26 175.03 1vdd s VAL 137 N 1.21 4.76 -0.65 3.70 1.01 0.16 -0.88 120.40 129.71 1vdd s VAL 137 Ca -0.05 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 1vdd s VAL 137 Cb -0.14 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.71 1vdd s VAL 137 CO -0.02 -0.20 0.88 -0.63 0.00 0.00 0.00 175.10 175.13 1vdd s ILE 138 N 1.60 4.51 -0.80 2.22 1.01 -0.13 -0.80 121.20 128.80 1vdd s ILE 138 Ca 0.03 -0.63 -0.25 0.00 0.00 0.00 0.00 60.65 59.80 1vdd s ILE 138 Cb -0.19 -4.62 -0.03 0.00 0.01 0.00 0.00 42.46 37.63 1vdd s ILE 138 CO 0.08 -1.35 1.87 -0.76 0.00 0.00 0.00 174.94 174.78 1vdd s LEU 139 N 3.54 3.23 -0.61 2.97 1.43 0.29 -1.38 118.68 128.14 1vdd s LEU 139 Ca 0.19 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1vdd s LEU 139 Cb -0.19 -2.55 0.43 0.00 0.03 0.00 0.00 46.19 43.91 1vdd s LEU 139 CO 0.08 -2.53 1.80 0.00 0.23 0.00 0.00 176.35 175.94 1vdd n ALA 140 N 13.16 6.03 -1.47 4.21 0.00 0.28 -2.74 120.51 139.98 1vdd n ALA 140 Ca 0.32 -3.72 -0.30 0.00 0.00 0.00 0.00 53.44 49.74 1vdd n ALA 140 Cb 0.49 -1.44 0.11 0.00 0.00 0.00 0.00 19.45 18.61 1vdd n ALA 140 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1vdd s THR 141 N -4.88 2.75 1.42 0.00 -1.32 -1.15 -4.42 115.64 108.04 1vdd s THR 141 Ca 0.59 0.24 -0.22 0.00 -1.21 0.00 0.00 61.69 61.09 1vdd s THR 141 Cb 0.47 -2.93 0.37 0.00 -1.51 0.00 0.00 72.50 68.89 1vdd s THR 141 CO -0.09 -0.32 0.91 0.61 -2.21 0.00 0.00 174.62 173.53 1vdd n GLY 142 N -1.91 -3.50 1.43 6.08 0.00 -1.26 -4.91 105.19 101.12 1vdd n GLY 142 Ca 0.07 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 1vdd n GLY 142 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vdd n THR 143 N -5.67 2.71 -2.43 2.61 -2.24 -1.26 -3.82 114.28 104.18 1vdd n THR 143 Ca 0.11 -2.64 -0.24 0.00 -2.27 0.00 0.00 64.05 59.00 1vdd n THR 143 Cb 0.59 -0.39 0.09 0.00 -2.10 0.00 0.00 70.33 68.52 1vdd n THR 143 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1vdd s THR 144 N -3.33 2.28 0.23 4.28 -4.23 -1.26 -4.81 115.64 108.80 1vdd s THR 144 Ca 0.48 -0.47 -0.07 0.00 -1.18 0.00 0.00 61.69 60.45 1vdd s THR 144 Cb 0.43 -2.81 0.18 0.00 1.34 0.00 0.00 72.50 71.63 1vdd s THR 144 CO 0.02 0.00 1.82 1.62 -0.54 0.00 0.00 174.62 177.53 1vdd h VAL 145 N -0.52 0.96 -0.04 2.29 3.04 -1.99 0.21 116.25 120.19 1vdd h VAL 145 Ca -0.41 -0.27 -0.03 0.00 -1.01 0.00 0.00 66.70 64.99 1vdd h VAL 145 Cb 1.28 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1vdd h VAL 145 CO 0.48 0.14 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.77 1vdd h GLU 146 N 0.78 0.13 -0.79 4.17 5.08 -1.94 -1.39 114.58 120.62 1vdd h GLU 146 Ca 0.35 -0.08 0.19 0.00 -1.00 0.00 0.00 59.36 58.82 1vdd h GLU 146 Cb 0.25 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1vdd h GLU 146 CO -0.20 0.65 0.54 0.78 -1.00 0.00 0.00 179.01 179.78 1vdd h GLY 147 N -0.37 0.46 0.48 -3.84 0.00 -1.65 0.23 103.07 98.37 1vdd h GLY 147 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 1vdd h GLY 147 CO 0.02 0.01 -0.39 -0.55 0.00 0.00 0.00 176.54 175.63 1vdd h ASP 148 N 0.23 0.29 -0.61 0.19 3.45 -0.50 -2.87 116.42 116.60 1vdd h ASP 148 Ca 0.39 -0.85 0.08 0.00 0.43 0.00 0.00 57.03 57.09 1vdd h ASP 148 Cb 1.19 -0.09 -0.07 0.00 -0.56 0.00 0.00 39.33 39.80 1vdd h ASP 148 CO -0.09 1.10 0.26 0.00 -1.57 0.00 0.00 179.24 178.95 1vdd h ALA 149 N 0.19 0.80 -0.53 3.45 0.00 0.07 0.79 119.26 124.02 1vdd h ALA 149 Ca -0.06 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1vdd h ALA 149 Cb 1.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1vdd h ALA 149 CO 0.07 -0.14 0.27 1.15 0.00 0.00 0.00 179.25 180.61 1vdd h THR 150 N 0.47 1.19 -0.18 0.00 2.02 -0.72 -0.09 112.91 115.59 1vdd h THR 150 Ca 0.30 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1vdd h THR 150 Cb 0.33 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1vdd h THR 150 CO -0.27 0.21 0.04 0.00 0.37 0.00 0.00 175.52 175.86 1vdd h ALA 151 N 1.11 0.18 -0.00 6.16 0.00 -1.01 0.38 119.26 126.09 1vdd h ALA 151 Ca 0.19 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1vdd h ALA 151 Cb 0.08 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1vdd h ALA 151 CO -0.03 -0.40 -0.13 1.25 0.00 0.00 0.00 179.25 179.95 1vdd h LEU 152 N 0.11 -0.38 0.08 0.00 5.85 -0.56 0.11 115.31 120.53 1vdd h LEU 152 Ca 0.08 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1vdd h LEU 152 Cb 0.07 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1vdd h LEU 152 CO -0.11 -0.18 -0.34 0.22 -0.34 0.00 0.00 178.44 177.69 1vdd h TYR 153 N -0.22 -0.94 -0.35 1.25 3.20 -0.49 0.18 116.97 119.61 1vdd h TYR 153 Ca 0.05 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.04 1vdd h TYR 153 Cb 0.28 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1vdd h TYR 153 CO -0.19 -0.44 0.28 -0.07 -1.64 0.00 0.00 178.16 176.10 1vdd h LEU 154 N -0.54 0.00 -0.20 2.82 3.38 0.09 -0.89 115.31 119.97 1vdd h LEU 154 Ca 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1vdd h LEU 154 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1vdd h LEU 154 CO -0.23 0.00 -0.48 -0.61 0.09 0.00 0.00 178.44 177.22 1vdd h GLN 155 N 0.00 0.68 -0.42 1.13 4.15 0.11 -1.10 115.11 119.66 1vdd h GLN 155 Ca 0.17 -0.46 -0.12 0.00 0.77 0.00 0.00 58.65 59.01 1vdd h GLN 155 Cb 0.73 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 1vdd h GLN 155 CO -0.00 1.08 -0.20 0.00 -1.93 0.00 0.00 178.83 177.78 1vdd h ARG 156 N 0.38 0.84 0.25 1.69 3.08 0.15 -0.45 114.38 120.32 1vdd h ARG 156 Ca -0.00 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 1vdd h ARG 156 Cb 1.09 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1vdd h ARG 156 CO 0.10 0.97 -0.12 1.25 -1.07 0.00 0.00 179.97 181.10 1vdd h LEU 157 N 0.73 -0.28 -0.84 3.04 6.46 -1.28 -3.33 115.31 119.80 1vdd h LEU 157 Ca 0.10 -0.23 -0.11 0.00 -0.12 0.00 0.00 57.88 57.52 1vdd h LEU 157 Cb 0.73 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 1vdd h LEU 157 CO 0.06 0.12 -0.34 -0.07 -0.62 0.00 0.00 178.44 177.58 1vdd h LEU 158 N -0.74 0.48 -0.91 2.25 3.38 -1.22 -3.36 115.31 115.19 1vdd h LEU 158 Ca -0.03 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1vdd h LEU 158 Cb 0.49 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.00 1vdd h LEU 158 CO 0.06 0.79 -0.57 -0.08 0.09 0.00 0.00 178.44 178.72 1vdd h GLU 159 N 0.39 -0.04 -0.01 1.13 4.81 -1.18 -0.30 114.58 119.38 1vdd h GLU 159 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1vdd h GLU 159 Cb 0.78 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 1vdd h GLU 159 CO 0.06 -0.03 0.25 -1.00 -0.73 0.00 0.00 179.01 177.56 1vdd h PRO 160 N -0.05 0.00 0.00 0.92 0.13 -1.76 -1.73 132.00 129.52 1vdd h PRO 160 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1vdd h PRO 160 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1vdd h PRO 160 CO -0.88 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 178.17 1vdd n LEU 161 N -2.96 0.38 0.00 1.56 4.77 -0.12 -4.91 117.00 115.71 1vdd n LEU 161 Ca -0.02 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1vdd n LEU 161 Cb 0.30 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1vdd n LEU 161 CO 0.15 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.46 1vdd n GLY 162 N 0.23 0.92 3.88 -0.72 0.00 -0.65 -2.62 105.19 106.23 1vdd n GLY 162 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1vdd n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vdd s ALA 163 N -2.23 3.02 0.23 4.61 0.00 -1.23 -3.88 121.76 122.29 1vdd s ALA 163 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 1vdd s ALA 163 Cb 0.00 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 1vdd s ALA 163 CO 0.00 -0.89 0.62 0.00 0.00 0.00 0.00 175.76 175.50 1vdd s ALA 164 N -3.25 3.48 -0.06 0.00 0.00 0.24 -4.83 121.76 117.35 1vdd s ALA 164 Ca 0.56 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1vdd s ALA 164 Cb -0.11 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.42 1vdd s ALA 164 CO 0.53 0.42 -0.12 0.42 0.00 0.00 0.00 175.76 177.01 1vdd s ILE 165 N -1.73 1.07 0.37 0.00 1.01 -1.26 0.37 121.20 121.02 1vdd s ILE 165 Ca 0.46 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.73 1vdd s ILE 165 Cb -0.13 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.30 1vdd s ILE 165 CO 0.20 0.33 -0.04 -0.94 0.00 0.00 0.00 174.94 174.49 1vdd s SER 166 N 0.55 3.71 -0.03 3.58 1.04 0.02 -4.95 113.70 117.63 1vdd s SER 166 Ca -0.12 -1.28 0.05 0.00 0.48 0.00 0.00 55.95 55.08 1vdd s SER 166 Cb -0.14 -0.36 -0.01 0.00 0.10 0.00 0.00 66.02 65.61 1vdd s SER 166 CO 0.03 -0.34 -0.18 -0.60 0.98 0.00 0.00 173.24 173.13 1vdd s ARG 167 N -3.67 1.62 0.66 4.02 6.06 -1.26 0.11 118.95 126.48 1vdd s ARG 167 Ca 0.34 -0.63 -0.17 0.00 -2.50 0.00 0.00 55.73 52.76 1vdd s ARG 167 Cb 0.06 -1.49 -0.05 0.00 0.06 0.00 0.00 34.95 33.53 1vdd s ARG 167 CO 0.17 0.33 0.60 0.44 -2.50 0.00 0.00 175.30 174.34 1vdd n ILE 168 N 2.86 2.23 -2.38 4.11 -5.35 -1.11 -4.83 119.36 114.89 1vdd n ILE 168 Ca -0.16 -0.44 -0.42 0.00 -0.27 0.00 0.00 62.75 61.45 1vdd n ILE 168 Cb 0.53 -0.79 -0.03 0.00 -1.74 0.00 0.00 39.64 37.62 1vdd n ILE 168 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1vdd s ALA 169 N -1.80 3.55 0.65 -1.28 0.00 -1.26 -5.01 121.76 116.61 1vdd s ALA 169 Ca 0.68 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 53.16 1vdd s ALA 169 Cb -0.38 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.17 1vdd s ALA 169 CO 0.55 -0.89 1.09 0.71 0.00 0.00 0.00 175.76 177.21 1vdd s TYR 170 N 2.54 2.78 -4.23 0.00 1.51 -1.26 -4.98 117.35 113.72 1vdd s TYR 170 Ca 0.58 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 58.17 1vdd s TYR 170 Cb -0.26 -3.08 0.00 0.00 -0.11 0.00 0.00 41.96 38.51 1vdd s TYR 170 CO 0.22 -1.46 0.00 0.41 -1.11 0.00 0.00 175.55 173.61 1vdd n GLY 171 N -0.87 -2.28 3.73 0.71 0.00 -1.26 -4.60 105.19 100.62 1vdd n GLY 171 Ca 0.09 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 1vdd n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vdd s VAL 172 N -2.30 4.47 0.53 1.61 1.01 -1.26 -4.94 120.40 119.52 1vdd s VAL 172 Ca 0.00 2.04 -0.16 0.00 0.00 0.00 0.00 61.98 63.86 1vdd s VAL 172 Cb 0.00 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 1vdd s VAL 172 CO 0.00 0.30 0.99 -2.16 0.00 0.00 0.00 175.10 174.24 1vdd s PRO 173 N 0.04 3.89 0.42 2.72 0.04 -1.26 -5.01 135.00 135.84 1vdd s PRO 173 Ca 0.47 0.95 -0.26 0.00 0.04 0.00 0.00 61.00 62.20 1vdd s PRO 173 Cb -0.24 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 1vdd s PRO 173 CO 0.30 -0.32 1.42 0.08 0.04 0.00 0.00 177.00 178.52 1vdd s VAL 174 N -2.66 2.16 0.00 -0.36 1.01 -1.26 -3.66 120.40 115.62 1vdd s VAL 174 Ca 0.59 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1vdd s VAL 174 Cb -0.10 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1vdd s VAL 174 CO 0.33 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1vdd n GLY 175 N 0.57 0.58 2.24 4.51 0.00 -1.26 -5.07 105.19 106.76 1vdd n GLY 175 Ca 0.03 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1vdd n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vdd n GLY 176 N -0.85 3.32 3.00 -0.02 0.00 -1.24 -5.17 105.19 104.23 1vdd n GLY 176 Ca 0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 1vdd n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vdd s SER 177 N -2.64 0.61 0.12 1.61 1.04 -1.26 -5.03 113.70 108.15 1vdd s SER 177 Ca 0.24 -0.36 0.07 0.00 0.48 0.00 0.00 55.95 56.38 1vdd s SER 177 Cb 0.01 0.01 0.37 0.00 0.10 0.00 0.00 66.02 66.51 1vdd s SER 177 CO 0.17 -0.12 1.13 0.18 0.98 0.00 0.00 173.24 175.58 1vdd n LEU 178 N 2.07 0.18 0.12 2.42 4.77 -1.26 -2.49 117.00 122.80 1vdd n LEU 178 Ca -0.19 0.50 -0.05 0.00 -0.03 0.00 0.00 56.01 56.25 1vdd n LEU 178 Cb 0.56 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1vdd n LEU 178 CO 0.22 -0.56 0.40 -0.08 -1.33 0.00 0.00 177.39 176.03 1vdd h GLU 179 N 0.00 -0.29 -1.70 3.23 4.22 -2.00 -3.10 114.58 114.94 1vdd h GLU 179 Ca 0.00 0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.41 1vdd h GLU 179 Cb 0.23 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1vdd h GLU 179 CO 0.00 -0.19 0.06 0.66 -2.18 0.00 0.00 179.01 177.35 1vdd n TYR 180 N -3.00 0.23 -4.31 0.92 4.02 -1.04 -4.70 117.16 109.29 1vdd n TYR 180 Ca -0.04 -1.01 -0.23 0.00 -0.01 0.00 0.00 57.90 56.61 1vdd n TYR 180 Cb 0.12 -0.50 -0.17 0.00 -0.02 0.00 0.00 39.34 38.77 1vdd n TYR 180 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1vdd s THR 181 N -0.32 0.89 0.68 -0.72 2.01 -1.17 -4.90 115.64 112.11 1vdd s THR 181 Ca 0.04 -0.31 -0.16 0.00 0.31 0.00 0.00 61.69 61.58 1vdd s THR 181 Cb 0.04 -0.86 0.01 0.00 0.01 0.00 0.00 72.50 71.69 1vdd s THR 181 CO 0.00 0.31 1.20 1.51 -0.69 0.00 0.00 174.62 176.95 1vdd s ASP 182 N 0.97 4.59 0.10 3.53 1.47 -1.26 -4.87 116.67 121.20 1vdd s ASP 182 Ca -0.10 2.33 -0.29 0.00 1.18 0.00 0.00 52.55 55.68 1vdd s ASP 182 Cb -0.15 -2.59 -0.12 0.00 -0.34 0.00 0.00 42.92 39.73 1vdd s ASP 182 CO 0.00 -1.99 1.63 -0.33 0.68 0.00 0.00 175.17 175.16 1vdd h GLU 183 N 0.10 -0.58 -0.99 2.11 3.07 -1.96 -2.42 114.58 113.92 1vdd h GLU 183 Ca -0.48 0.04 0.09 0.00 -0.50 0.00 0.00 59.36 58.50 1vdd h GLU 183 Cb 1.29 0.13 -0.12 0.00 -0.84 0.00 0.00 28.75 29.21 1vdd h GLU 183 CO 0.52 -0.38 -0.59 0.28 -1.40 0.00 0.00 179.01 177.44 1vdd h VAL 184 N -0.60 0.00 0.15 3.13 2.07 -1.99 0.30 116.25 119.31 1vdd h VAL 184 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1vdd h VAL 184 Cb 0.55 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1vdd h VAL 184 CO -0.07 0.00 -0.34 0.74 0.02 0.00 0.00 177.57 177.93 1vdd h THR 185 N -0.01 0.00 -1.28 2.57 2.02 -1.94 -0.86 112.91 113.41 1vdd h THR 185 Ca 0.16 0.00 0.39 0.00 0.77 0.00 0.00 66.41 67.73 1vdd h THR 185 Cb 0.42 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.72 1vdd h THR 185 CO -0.93 0.00 0.85 -0.07 0.37 0.00 0.00 175.52 175.74 1vdd h LEU 186 N -0.54 0.25 0.59 2.58 3.38 -0.67 0.46 115.31 121.36 1vdd h LEU 186 Ca -0.02 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1vdd h LEU 186 Cb 0.51 0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1vdd h LEU 186 CO -0.14 -0.07 -0.28 1.23 0.09 0.00 0.00 178.44 179.26 1vdd h GLY 187 N 0.15 -0.82 1.49 0.83 0.00 0.96 -0.28 103.07 105.39 1vdd h GLY 187 Ca 0.74 0.31 -0.11 0.00 0.00 0.00 0.00 47.33 48.26 1vdd h GLY 187 CO -0.30 -0.30 -0.30 3.21 0.00 0.00 0.00 176.54 178.85 1vdd h ARG 188 N -0.82 0.58 0.00 4.80 3.08 -0.15 -1.73 114.38 120.14 1vdd h ARG 188 Ca -0.08 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 1vdd h ARG 188 Cb 0.62 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1vdd h ARG 188 CO 0.13 0.82 -0.03 0.00 -1.07 0.00 0.00 179.97 179.82 1vdd h ALA 189 N 1.17 1.90 0.11 0.04 0.00 -0.10 0.58 119.26 122.98 1vdd h ALA 189 Ca 0.06 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.64 1vdd h ALA 189 Cb 0.77 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1vdd h ALA 189 CO 0.06 0.03 -1.59 1.25 0.00 0.00 0.00 179.25 179.01 1vdd h LEU 190 N 0.00 0.38 -0.53 0.00 6.46 -0.77 -3.29 115.31 117.56 1vdd h LEU 190 Ca -0.00 -0.56 -0.14 0.00 -0.12 0.00 0.00 57.88 57.06 1vdd h LEU 190 Cb 0.05 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1vdd h LEU 190 CO 0.00 1.47 -0.32 0.74 -0.62 0.00 0.00 178.44 179.71 1vdd h THR 191 N 0.07 1.28 -0.35 1.05 2.02 -0.32 -3.01 112.91 113.64 1vdd h THR 191 Ca -0.26 -1.48 -0.05 0.00 0.77 0.00 0.00 66.41 65.39 1vdd h THR 191 Cb 2.02 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 69.72 1vdd h THR 191 CO 0.15 0.49 0.06 0.61 0.37 0.00 0.00 175.52 177.21 1vdd n GLY 192 N -0.03 2.48 3.67 2.16 0.00 0.19 -4.97 105.19 108.70 1vdd n GLY 192 Ca -0.01 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1vdd n GLY 192 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vdd n ARG 193 N 0.20 1.83 -3.79 1.61 1.85 -1.14 -4.98 116.66 112.24 1vdd n ARG 193 Ca 0.18 0.65 -0.35 0.00 -1.00 0.00 0.00 57.85 57.32 1vdd n ARG 193 Cb 0.82 -2.25 -0.08 0.00 -1.05 0.00 0.00 32.46 29.91 1vdd n ARG 193 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1vdd s GLN 194 N -2.00 4.05 0.19 2.89 -0.21 -1.26 -5.06 119.66 118.25 1vdd s GLN 194 Ca 0.59 -0.22 -0.30 0.00 0.02 0.00 0.00 55.36 55.45 1vdd s GLN 194 Cb -0.56 -3.36 -0.08 0.00 1.00 0.00 0.00 33.01 30.01 1vdd s GLN 194 CO 0.59 0.37 1.26 0.99 -2.12 0.00 0.00 175.29 176.39 1vdd s THR 195 N 0.15 3.39 -1.23 -0.19 2.01 -1.26 -4.92 115.64 113.59 1vdd s THR 195 Ca 0.09 1.14 0.12 0.00 0.31 0.00 0.00 61.69 63.34 1vdd s THR 195 Cb -0.11 -3.73 0.22 0.00 0.01 0.00 0.00 72.50 68.89 1vdd s THR 195 CO -0.01 0.17 1.10 1.33 -0.69 0.00 0.00 174.62 176.52 1vdd n VAL 196 N 2.65 0.55 -3.44 3.82 0.24 -1.26 -4.98 118.33 115.90 1vdd n VAL 196 Ca 0.06 -0.77 0.02 0.00 -2.04 0.00 0.00 64.34 61.60 1vdd n VAL 196 Cb 0.44 0.84 -0.05 0.00 -1.47 0.00 0.00 33.84 33.59 1vdd n VAL 196 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1vdd s SER 197 N -1.00 -0.15 1.09 -1.34 1.04 -1.26 -5.17 113.70 106.91 1vdd s SER 197 Ca 0.20 0.23 -0.18 0.00 0.48 0.00 0.00 55.95 56.68 1vdd s SER 197 Cb 0.12 1.12 0.11 0.00 0.10 0.00 0.00 66.02 67.47 1vdd s SER 197 CO 0.16 -0.03 -0.01 0.29 0.98 0.00 0.00 173.24 174.62 1vdd n LYS 198 N 3.89 -1.78 0.00 4.02 4.76 -1.26 -5.28 118.16 122.51 1vdd n LYS 198 Ca -0.12 -0.51 0.10 0.00 -2.87 0.00 0.00 58.31 54.91 1vdd n LYS 198 Cb 0.56 -1.59 0.62 0.00 -1.84 0.00 0.00 35.03 32.78 1vdd n LYS 198 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68