#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 -0.17 -1.69 5.58 4.02 -1.26 -5.05 117.16 118.60 1vdd n TYR 3 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1vdd n TYR 3 Cb 0.00 0.17 -0.03 0.00 -0.02 0.00 0.00 39.34 39.46 1vdd n TYR 3 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1vdd s PRO 4 N -1.34 3.91 0.52 -0.72 0.04 -1.26 -4.86 135.00 131.29 1vdd s PRO 4 Ca 0.00 2.43 0.39 0.00 0.04 0.00 0.00 61.00 63.87 1vdd s PRO 4 Cb 0.00 -4.20 1.57 0.00 0.04 0.00 0.00 34.50 31.91 1vdd s PRO 4 CO 0.00 -1.21 1.67 -1.00 0.04 0.00 0.00 177.00 176.50 1vdd h PRO 5 N 11.53 0.05 -0.47 0.56 0.13 -1.98 0.18 132.00 141.99 1vdd h PRO 5 Ca -0.47 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1vdd h PRO 5 Cb 1.23 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1vdd h PRO 5 CO 0.95 0.03 0.26 0.77 -0.23 0.00 0.00 178.00 179.78 1vdd h SER 6 N 0.05 0.58 0.45 1.44 0.02 -1.99 -0.24 113.55 113.86 1vdd h SER 6 Ca 0.77 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.61 1vdd h SER 6 Cb 2.86 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 65.25 1vdd h SER 6 CO -0.12 0.50 -0.22 0.25 -1.14 0.00 0.00 176.83 176.10 1vdd h LEU 7 N 0.62 -0.51 -0.87 5.07 6.46 -1.04 -2.30 115.31 122.75 1vdd h LEU 7 Ca 0.17 -0.05 0.18 0.00 -0.12 0.00 0.00 57.88 58.05 1vdd h LEU 7 Cb 0.04 0.13 -0.11 0.00 -0.73 0.00 0.00 40.66 40.00 1vdd h LEU 7 CO -0.03 -0.09 0.41 0.58 -0.62 0.00 0.00 178.44 178.70 1vdd h VAL 8 N -1.09 0.60 -0.39 1.05 2.07 -1.43 0.12 116.25 117.19 1vdd h VAL 8 Ca -0.06 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 67.15 1vdd h VAL 8 Cb 0.53 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1vdd h VAL 8 CO 0.10 0.09 -0.28 -1.28 0.02 0.00 0.00 177.57 176.23 1vdd h SER 9 N 0.51 0.92 -0.46 0.57 0.87 -1.10 0.36 113.55 115.21 1vdd h SER 9 Ca 0.51 -0.44 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1vdd h SER 9 Cb 0.85 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1vdd h SER 9 CO -0.44 1.16 0.15 0.25 -0.53 0.00 0.00 176.83 177.41 1vdd h LEU 10 N 0.68 0.67 0.36 2.23 6.46 -0.63 -0.81 115.31 124.28 1vdd h LEU 10 Ca 0.08 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1vdd h LEU 10 Cb 0.85 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1vdd h LEU 10 CO 0.07 0.70 -0.21 0.40 -0.62 0.00 0.00 178.44 178.78 1vdd h ILE 11 N 0.61 0.57 -0.68 4.05 1.08 -0.69 -2.11 117.51 120.34 1vdd h ILE 11 Ca 0.15 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.76 1vdd h ILE 11 Cb 0.26 0.57 -0.13 0.00 -3.07 0.00 0.00 36.82 34.45 1vdd h ILE 11 CO -0.01 0.00 -0.17 -0.09 -0.69 0.00 0.00 178.15 177.19 1vdd h ARG 12 N -0.54 -0.00 0.00 2.37 2.43 -0.61 0.26 114.38 118.29 1vdd h ARG 12 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1vdd h ARG 12 Cb 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1vdd h ARG 12 CO 0.06 -0.00 0.00 0.93 -1.51 0.00 0.00 179.97 179.44 1vdd h GLU 13 N -0.00 0.00 0.04 0.20 4.39 -0.95 -2.89 114.58 115.37 1vdd h GLU 13 Ca 0.33 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.70 1vdd h GLU 13 Cb 0.50 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1vdd h GLU 13 CO -0.70 0.00 -1.87 1.28 -1.16 0.00 0.00 179.01 176.56 1vdd n LEU 14 N -2.87 1.49 -0.30 1.33 4.77 0.31 -3.93 117.00 117.80 1vdd n LEU 14 Ca 0.01 0.31 0.17 0.00 -0.03 0.00 0.00 56.01 56.47 1vdd n LEU 14 Cb 0.30 -0.29 0.43 0.00 -2.33 0.00 0.00 43.42 41.54 1vdd n LEU 14 CO 0.26 0.57 1.21 0.28 -1.33 0.00 0.00 177.39 178.38 1vdd h SER 15 N 0.02 0.58 0.16 -1.43 0.02 -0.40 -2.63 113.55 109.87 1vdd h SER 15 Ca -0.36 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1vdd h SER 15 Cb 2.03 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 64.53 1vdd h SER 15 CO 0.08 0.21 -0.12 0.03 -1.14 0.00 0.00 176.83 175.89 1vdd h ARG 16 N 0.57 -0.26 -3.68 3.45 3.08 -1.67 -3.41 114.38 112.46 1vdd h ARG 16 Ca 0.52 0.02 -0.41 0.00 0.07 0.00 0.00 59.98 60.18 1vdd h ARG 16 Cb 1.07 0.06 0.07 0.00 0.08 0.00 0.00 29.97 31.25 1vdd h ARG 16 CO -0.27 -0.17 -0.34 1.28 -1.07 0.00 0.00 179.97 179.40 1vdd n LEU 17 N -2.97 -0.84 -4.82 3.04 4.77 -0.99 -4.89 117.00 110.30 1vdd n LEU 17 Ca -0.03 0.68 -0.31 0.00 -0.03 0.00 0.00 56.01 56.31 1vdd n LEU 17 Cb 0.12 -0.58 0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1vdd n LEU 17 CO 0.08 -1.88 0.71 -2.16 -1.33 0.00 0.00 177.39 172.80 1vdd s PRO 18 N -0.61 3.03 -0.30 3.23 0.04 -1.26 -3.41 135.00 135.71 1vdd s PRO 18 Ca 0.39 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1vdd s PRO 18 Cb -0.56 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1vdd s PRO 18 CO 0.35 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1vdd n GLY 19 N -1.77 0.54 3.03 0.56 0.00 -1.26 -4.97 105.19 101.33 1vdd n GLY 19 Ca 0.08 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.83 -0.17 0.00 -0.61 1.01 -1.22 -5.08 121.20 113.30 1vdd s ILE 20 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1vdd s ILE 20 Cb 0.00 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 42.07 1vdd s ILE 20 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1vdd n GLY 21 N 4.62 4.52 0.46 6.18 0.00 -1.26 -4.64 105.19 115.07 1vdd n GLY 21 Ca -0.19 -2.16 -0.15 0.00 0.00 0.00 0.00 46.02 43.52 1vdd n GLY 21 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1vdd h PRO 22 N 0.00 -0.56 -0.94 1.61 0.11 -1.96 -1.56 132.00 128.70 1vdd h PRO 22 Ca 0.00 0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.22 1vdd h PRO 22 Cb 0.00 0.13 -0.07 0.00 0.11 0.00 0.00 31.00 31.17 1vdd h PRO 22 CO 0.00 -0.38 0.59 0.87 -0.21 0.00 0.00 178.00 178.88 1vdd h LYS 23 N -0.59 1.04 -0.38 1.05 1.79 -2.00 -2.24 116.57 115.24 1vdd h LYS 23 Ca 0.03 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 1vdd h LYS 23 Cb 0.67 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1vdd h LYS 23 CO -0.41 0.68 -0.05 0.77 -1.08 0.00 0.00 179.45 179.36 1vdd h SER 24 N 1.07 0.70 -0.33 0.86 0.02 -1.91 -1.83 113.55 112.13 1vdd h SER 24 Ca 0.41 -0.34 0.07 0.00 -0.84 0.00 0.00 61.79 61.09 1vdd h SER 24 Cb 0.19 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1vdd h SER 24 CO -0.18 0.87 -0.13 0.00 -1.14 0.00 0.00 176.83 176.25 1vdd h ALA 25 N 0.85 0.15 0.39 3.77 0.00 -0.72 0.48 119.26 124.18 1vdd h ALA 25 Ca 0.10 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1vdd h ALA 25 Cb 0.55 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1vdd h ALA 25 CO 0.03 -0.51 -0.26 0.37 0.00 0.00 0.00 179.25 178.87 1vdd h GLN 26 N -0.07 -0.61 -0.68 0.00 4.15 -1.39 0.13 115.11 116.63 1vdd h GLN 26 Ca 0.16 0.04 0.15 0.00 0.77 0.00 0.00 58.65 59.77 1vdd h GLN 26 Cb 0.32 0.14 -0.12 0.00 0.21 0.00 0.00 27.48 28.03 1vdd h GLN 26 CO -0.37 -0.41 -0.04 -0.09 -1.93 0.00 0.00 178.83 175.98 1vdd h ARG 27 N -0.64 0.08 0.26 1.69 2.43 -0.59 -0.58 114.38 117.03 1vdd h ARG 27 Ca -0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1vdd h ARG 27 Cb 0.54 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1vdd h ARG 27 CO 0.02 0.05 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.21 1vdd h LEU 28 N 0.08 -0.68 -0.32 3.80 3.38 0.56 -1.55 115.31 120.58 1vdd h LEU 28 Ca 0.36 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.46 1vdd h LEU 28 Cb 0.59 0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 1vdd h LEU 28 CO -0.62 -0.37 -0.31 0.00 0.09 0.00 0.00 178.44 177.23 1vdd h ALA 29 N 0.10 -0.20 0.00 1.53 0.00 0.57 0.23 119.26 121.50 1vdd h ALA 29 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1vdd h ALA 29 Cb 0.50 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1vdd h ALA 29 CO -0.06 -0.72 -0.06 0.74 0.00 0.00 0.00 179.25 179.15 1vdd h PHE 30 N -0.27 0.00 -0.14 0.00 -1.00 -1.03 0.56 116.94 115.05 1vdd h PHE 30 Ca 0.15 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.78 1vdd h PHE 30 Cb 0.52 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.09 1vdd h PHE 30 CO -0.49 0.06 -0.53 1.25 -1.61 0.00 0.00 178.31 177.00 1vdd h HIS 31 N 0.00 0.80 -0.03 -0.55 2.76 0.17 -3.07 115.15 115.23 1vdd h HIS 31 Ca -0.00 -0.34 -0.05 0.00 -2.20 0.00 0.00 60.37 57.78 1vdd h HIS 31 Cb 0.14 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1vdd h HIS 31 CO 0.00 1.12 -0.23 -0.07 -1.30 0.00 0.00 177.93 177.45 1vdd h LEU 32 N 0.26 0.04 -1.51 0.26 3.38 0.69 -2.69 115.31 115.74 1vdd h LEU 32 Ca -0.03 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1vdd h LEU 32 Cb 1.16 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1vdd h LEU 32 CO 0.11 0.28 0.44 0.15 0.09 0.00 0.00 178.44 179.51 1vdd h PHE 33 N 0.04 0.59 -0.48 1.13 3.57 -0.85 -1.49 116.94 119.46 1vdd h PHE 33 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1vdd h PHE 33 Cb 0.43 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1vdd h PHE 33 CO 0.00 0.29 0.00 -0.85 -2.23 0.00 0.00 178.31 175.53 1vdd n GLU 34 N -4.48 2.23 -3.32 1.11 0.28 -1.01 -4.91 120.64 110.53 1vdd n GLU 34 Ca 0.10 -1.90 -0.32 0.00 -0.16 0.00 0.00 57.16 54.89 1vdd n GLU 34 Cb 0.31 -1.43 -0.05 0.00 1.43 0.00 0.00 31.44 31.69 1vdd n GLU 34 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1vdd s GLN 35 N -1.37 3.84 0.44 3.44 -1.52 -0.56 -5.05 119.66 118.89 1vdd s GLN 35 Ca 0.36 0.37 -0.23 0.00 -1.95 0.00 0.00 55.36 53.91 1vdd s GLN 35 Cb 0.19 -2.58 -0.08 0.00 -0.22 0.00 0.00 33.01 30.32 1vdd s GLN 35 CO 0.26 0.26 1.09 -1.25 -0.25 0.00 0.00 175.29 175.40 1vdd s PRO 36 N -2.93 3.96 0.26 2.91 0.04 -1.26 -4.88 135.00 133.09 1vdd s PRO 36 Ca 0.49 1.58 -0.00 0.00 0.04 0.00 0.00 61.00 63.11 1vdd s PRO 36 Cb -0.11 -2.42 0.60 0.00 0.04 0.00 0.00 34.50 32.61 1vdd s PRO 36 CO 0.21 -0.34 1.33 -2.13 0.04 0.00 0.00 177.00 176.11 1vdd n ARG 37 N -0.37 -0.07 -0.16 4.56 0.63 -1.26 -0.24 116.66 119.75 1vdd n ARG 37 Ca 0.07 1.28 -0.03 0.00 -0.92 0.00 0.00 57.85 58.24 1vdd n ARG 37 Cb 0.50 -2.01 0.04 0.00 0.45 0.00 0.00 32.46 31.43 1vdd n ARG 37 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1vdd h GLU 38 N 0.00 -0.02 -0.64 -0.14 3.07 -1.98 0.29 114.58 115.16 1vdd h GLU 38 Ca 0.49 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.47 1vdd h GLU 38 Cb 0.97 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.80 1vdd h GLU 38 CO -0.81 -0.01 0.18 -0.44 -1.40 0.00 0.00 179.01 176.53 1vdd h ASP 39 N -0.02 0.10 -0.03 1.42 5.19 -0.97 0.22 116.42 122.33 1vdd h ASP 39 Ca 0.24 0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.76 1vdd h ASP 39 Cb 0.39 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 1vdd h ASP 39 CO -0.53 0.05 0.01 0.40 -3.12 0.00 0.00 179.24 176.05 1vdd h ILE 40 N 0.33 1.19 -0.91 0.35 1.08 -0.74 -2.16 117.51 116.65 1vdd h ILE 40 Ca 0.34 -0.56 0.07 0.00 -0.39 0.00 0.00 64.86 64.32 1vdd h ILE 40 Cb 0.49 1.51 -0.07 0.00 -3.07 0.00 0.00 36.82 35.68 1vdd h ILE 40 CO -0.39 0.15 0.57 -0.33 -0.69 0.00 0.00 178.15 177.46 1vdd h GLU 41 N -0.17 0.98 0.00 2.37 5.08 0.16 -0.07 114.58 122.93 1vdd h GLU 41 Ca 0.01 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1vdd h GLU 41 Cb 0.24 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1vdd h GLU 41 CO 0.00 0.65 -0.31 -0.09 -1.00 0.00 0.00 179.01 178.26 1vdd h ARG 42 N 1.01 0.00 0.12 2.33 2.43 -0.41 -0.91 114.38 118.94 1vdd h ARG 42 Ca 0.41 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.28 1vdd h ARG 42 Cb 0.23 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1vdd h ARG 42 CO -0.19 0.31 -1.25 1.25 -1.51 0.00 0.00 179.97 178.58 1vdd h LEU 43 N 0.00 0.84 -0.42 3.80 6.46 -0.57 -2.54 115.31 122.88 1vdd h LEU 43 Ca -0.00 -0.78 -0.07 0.00 -0.12 0.00 0.00 57.88 56.90 1vdd h LEU 43 Cb 0.56 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1vdd h LEU 43 CO 0.04 1.59 -0.01 0.00 -0.62 0.00 0.00 178.44 179.44 1vdd h ALA 44 N 0.32 0.56 -0.20 1.25 0.00 -0.69 -2.63 119.26 117.88 1vdd h ALA 44 Ca -0.19 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1vdd h ALA 44 Cb 1.92 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1vdd h ALA 44 CO 0.24 0.36 -0.07 0.66 0.00 0.00 0.00 179.25 180.44 1vdd h SER 45 N 0.57 0.40 -0.76 0.00 4.64 -1.28 -2.37 113.55 114.76 1vdd h SER 45 Ca 0.12 -0.39 0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1vdd h SER 45 Cb 0.50 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 1vdd h SER 45 CO 0.02 0.70 0.50 0.00 -0.87 0.00 0.00 176.83 177.19 1vdd h ALA 46 N 0.72 1.97 0.64 5.18 0.00 -1.43 1.00 119.26 127.35 1vdd h ALA 46 Ca 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1vdd h ALA 46 Cb 0.53 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1vdd h ALA 46 CO 0.02 -0.16 -0.31 -0.07 0.00 0.00 0.00 179.25 178.73 1vdd h LEU 47 N 0.53 -0.72 -0.91 0.00 3.38 -1.32 -1.52 115.31 114.75 1vdd h LEU 47 Ca 0.37 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.42 1vdd h LEU 47 Cb 0.69 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 1vdd h LEU 47 CO -0.13 -0.34 0.56 -0.07 0.09 0.00 0.00 178.44 178.55 1vdd h LEU 48 N -1.19 0.86 -1.21 1.67 3.38 -0.70 -0.00 115.31 118.12 1vdd h LEU 48 Ca -0.09 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1vdd h LEU 48 Cb 0.68 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1vdd h LEU 48 CO 0.14 0.53 -0.27 -0.08 0.09 0.00 0.00 178.44 178.85 1vdd h GLU 49 N 0.99 0.00 0.00 1.13 4.81 0.94 0.13 114.58 122.58 1vdd h GLU 49 Ca 0.41 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.48 1vdd h GLU 49 Cb 0.26 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.65 1vdd h GLU 49 CO -0.20 0.27 -0.62 0.00 -0.73 0.00 0.00 179.01 177.72 1vdd h ALA 50 N 1.73 0.07 0.23 2.92 0.00 0.02 -2.40 119.26 121.84 1vdd h ALA 50 Ca -0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1vdd h ALA 50 Cb 0.72 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1vdd h ALA 50 CO 0.03 0.37 -0.11 -0.22 0.00 0.00 0.00 179.25 179.32 1vdd h LYS 51 N -0.09 -0.30 -0.05 0.00 3.11 -0.86 -0.03 116.57 118.35 1vdd h LYS 51 Ca -0.08 0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1vdd h LYS 51 Cb 1.34 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.63 1vdd h LYS 51 CO 0.12 -0.04 0.03 -0.09 -2.81 0.00 0.00 179.45 176.67 1vdd h ARG 52 N -0.54 0.04 0.00 1.90 1.12 -0.84 -3.34 114.38 112.72 1vdd h ARG 52 Ca -0.03 -0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.49 1vdd h ARG 52 Cb 0.40 -0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 30.29 1vdd h ARG 52 CO 0.05 0.03 -2.30 -0.25 -3.11 0.00 0.00 179.97 174.39 1vdd n ASP 53 N -4.53 2.22 -4.76 -3.80 9.92 -0.90 -4.98 116.55 109.71 1vdd n ASP 53 Ca -0.02 -0.12 -0.40 0.00 -0.53 0.00 0.00 54.79 53.72 1vdd n ASP 53 Cb 0.11 -0.36 -0.04 0.00 -0.64 0.00 0.00 41.12 40.18 1vdd n ASP 53 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1vdd s LEU 54 N -6.34 4.48 0.24 0.64 2.01 -0.03 -4.31 118.68 115.37 1vdd s LEU 54 Ca -0.31 2.31 -0.18 0.00 0.01 0.00 0.00 54.13 55.96 1vdd s LEU 54 Cb 0.08 -3.70 0.02 0.00 0.01 0.00 0.00 46.19 42.60 1vdd s LEU 54 CO 0.53 -0.25 0.59 -1.38 1.01 0.00 0.00 176.35 176.85 1vdd s HIS 55 N -1.21 -0.04 0.33 0.29 -3.43 0.23 -4.88 115.29 106.58 1vdd s HIS 55 Ca 0.47 -0.35 -0.27 0.00 -0.80 0.00 0.00 55.06 54.12 1vdd s HIS 55 Cb -0.32 0.47 -0.09 0.00 -1.43 0.00 0.00 32.58 31.21 1vdd s HIS 55 CO 0.41 -1.06 1.04 0.54 -2.00 0.00 0.00 174.74 173.67 1vdd s VAL 56 N -3.92 3.77 -0.03 -5.38 0.11 -1.26 -0.78 120.40 112.91 1vdd s VAL 56 Ca 0.13 1.54 -0.30 0.00 -2.93 0.00 0.00 61.98 60.41 1vdd s VAL 56 Cb -0.03 -3.88 -0.05 0.00 -1.53 0.00 0.00 36.38 30.89 1vdd s VAL 56 CO 0.04 0.19 1.42 0.00 -3.33 0.00 0.00 175.10 173.41 1vdd h PRO 58 N 8.11 0.47 0.12 0.00 0.13 -1.90 1.25 132.00 140.20 1vdd h PRO 58 Ca -0.37 -0.03 -0.23 0.00 -0.87 0.00 0.00 66.00 64.50 1vdd h PRO 58 Cb 1.17 -0.11 0.01 0.00 0.13 0.00 0.00 31.00 32.20 1vdd h PRO 58 CO 0.92 0.31 -1.12 0.82 -0.23 0.00 0.00 178.00 178.70 1vdd h ILE 59 N 0.49 1.26 -0.00 -3.56 1.08 -1.91 -3.41 117.51 111.45 1vdd h ILE 59 Ca 0.38 -2.46 0.00 0.00 -0.39 0.00 0.00 64.86 62.40 1vdd h ILE 59 Cb 0.80 2.93 0.00 0.00 -3.07 0.00 0.00 36.82 37.48 1vdd h ILE 59 CO -0.14 0.70 -0.02 0.00 -0.69 0.00 0.00 178.15 178.01 1vdd n PHE 61 N -0.34 -0.26 -3.14 0.00 3.01 0.43 -1.07 117.46 116.09 1vdd n PHE 61 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.12 1vdd n PHE 61 Cb 0.02 -3.29 -0.06 0.00 -0.01 0.00 0.00 39.48 36.14 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 -2.62 6.93 0.14 4.37 2.47 -1.26 -4.31 114.94 120.66 1vdd s ASN 62 Ca 0.00 1.33 -0.31 0.00 0.42 0.00 0.00 52.86 54.30 1vdd s ASN 62 Cb 0.00 -2.39 -0.08 0.00 -1.45 0.00 0.00 41.25 37.33 1vdd s ASN 62 CO 0.00 -0.04 1.41 -0.63 -3.72 0.00 0.00 177.10 174.11 1vdd s ILE 63 N -1.68 3.17 0.37 -5.21 1.01 -1.26 0.11 121.20 117.71 1vdd s ILE 63 Ca 0.46 0.86 -0.07 0.00 0.00 0.00 0.00 60.65 61.90 1vdd s ILE 63 Cb -0.14 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.80 1vdd s ILE 63 CO 0.20 0.08 0.61 0.42 0.00 0.00 0.00 174.94 176.24 1vdd s THR 64 N 0.95 0.00 -0.03 2.92 -4.23 0.04 -4.91 115.64 110.39 1vdd s THR 64 Ca 0.64 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1vdd s THR 64 Cb -0.38 -2.78 -0.00 0.00 1.34 0.00 0.00 72.50 70.68 1vdd s THR 64 CO 0.32 0.00 0.17 -0.90 -0.54 0.00 0.00 174.62 173.67 1vdd n ASP 65 N -1.51 0.33 -4.95 3.99 3.85 -1.26 -0.60 116.55 116.40 1vdd n ASP 65 Ca -0.03 -0.67 -0.19 0.00 -0.71 0.00 0.00 54.79 53.20 1vdd n ASP 65 Cb 0.61 0.69 -0.01 0.00 -1.35 0.00 0.00 41.12 41.06 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 -0.72 4.30 0.45 2.12 0.00 -1.26 -4.97 121.76 121.68 1vdd s ALA 66 Ca 0.00 -1.72 0.13 0.00 0.00 0.00 0.00 51.96 50.37 1vdd s ALA 66 Cb 0.00 -1.41 1.04 0.00 0.00 0.00 0.00 23.12 22.76 1vdd s ALA 66 CO 0.01 -0.22 2.03 1.49 0.00 0.00 0.00 175.76 179.07 1vdd h GLU 67 N 0.83 0.35 -4.88 0.00 4.81 -1.99 -3.41 114.58 110.30 1vdd h GLU 67 Ca -0.41 -0.02 -0.35 0.00 -0.13 0.00 0.00 59.36 58.45 1vdd h GLU 67 Cb 1.27 -0.08 -0.23 0.00 0.63 0.00 0.00 28.75 30.34 1vdd h GLU 67 CO 0.51 0.23 -0.76 0.15 -0.73 0.00 0.00 179.01 178.41 1vdd s LYS 68 N -5.35 0.67 0.76 1.92 1.02 -1.26 -4.49 119.74 113.01 1vdd s LYS 68 Ca -0.07 -0.74 -0.11 0.00 0.02 0.00 0.00 55.97 55.07 1vdd s LYS 68 Cb 0.19 -0.57 0.05 0.00 -0.52 0.00 0.00 37.83 36.98 1vdd s LYS 68 CO 0.73 0.13 1.09 0.00 -0.92 0.00 0.00 175.35 176.38 1vdd h ASP 70 N -1.06 0.63 -0.62 0.00 1.82 -1.97 0.11 116.42 115.34 1vdd h ASP 70 Ca -0.44 0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.21 1vdd h ASP 70 Cb 1.23 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 41.17 1vdd h ASP 70 CO 0.52 0.32 0.17 0.58 -1.61 0.00 0.00 179.24 179.21 1vdd h VAL 71 N 0.73 1.25 -0.11 2.25 2.07 -1.95 -2.66 116.25 117.83 1vdd h VAL 71 Ca 0.44 -0.90 -0.16 0.00 0.82 0.00 0.00 66.70 66.90 1vdd h VAL 71 Cb 0.51 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1vdd h VAL 71 CO -0.30 0.34 -0.60 0.00 0.02 0.00 0.00 177.57 177.02 1vdd n ALA 73 N -2.50 2.69 -2.60 0.00 0.00 0.25 -4.78 120.51 113.58 1vdd n ALA 73 Ca -0.03 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1vdd n ALA 73 Cb 0.63 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.31 6.59 0.00 0.00 3.68 -1.01 -4.93 116.67 118.70 1vdd s ASP 74 Ca 0.35 0.47 0.28 0.00 2.13 0.00 0.00 52.55 55.78 1vdd s ASP 74 Cb 0.21 -2.40 1.32 0.00 -1.45 0.00 0.00 42.92 40.59 1vdd s ASP 74 CO 0.43 -0.69 1.95 -0.81 0.13 0.00 0.00 175.17 176.18 1vdd n PRO 75 N 6.34 0.19 0.00 4.34 -0.04 -1.26 -3.09 135.00 141.48 1vdd n PRO 75 Ca 0.03 0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 1vdd n PRO 75 Cb 0.48 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.81 1vdd n PRO 75 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1vdd n SER 76 N -1.40 1.30 -4.82 3.54 3.41 -1.26 -4.91 113.62 109.48 1vdd n SER 76 Ca 0.10 -1.13 -0.31 0.00 -0.26 0.00 0.00 58.87 57.27 1vdd n SER 76 Cb 0.28 0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.41 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 -2.37 3.02 -0.67 4.33 1.81 -1.18 -4.98 118.95 118.91 1vdd s ARG 77 Ca 0.27 0.96 -0.23 0.00 -1.72 0.00 0.00 55.73 55.01 1vdd s ARG 77 Cb 0.20 -2.00 0.06 0.00 -0.45 0.00 0.00 34.95 32.76 1vdd s ARG 77 CO 0.48 -1.03 1.01 0.34 -0.68 0.00 0.00 175.30 175.41 1vdd s ASP 78 N -3.75 6.17 0.34 0.23 2.15 -0.55 -4.89 116.67 116.37 1vdd s ASP 78 Ca 0.58 -0.91 0.25 0.00 0.43 0.00 0.00 52.55 52.90 1vdd s ASP 78 Cb -0.14 -2.44 1.22 0.00 -0.30 0.00 0.00 42.92 41.26 1vdd s ASP 78 CO 0.53 -1.50 1.75 1.56 -0.17 0.00 0.00 175.17 177.35 1vdd h GLN 79 N 9.63 0.00 -0.38 4.34 7.50 -1.93 -3.12 115.11 131.15 1vdd h GLN 79 Ca -0.29 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.86 1vdd h GLN 79 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.60 1vdd h GLN 79 CO 1.20 0.00 0.00 2.89 -1.50 0.00 0.00 178.83 181.42 1vdd n ARG 80 N -2.37 1.89 -3.77 1.46 1.85 -1.26 -4.85 116.66 109.61 1vdd n ARG 80 Ca -0.00 -1.36 -0.14 0.00 -1.00 0.00 0.00 57.85 55.35 1vdd n ARG 80 Cb 0.12 -1.30 -0.15 0.00 -1.05 0.00 0.00 32.46 30.09 1vdd n ARG 80 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1vdd s THR 81 N -1.50 -0.05 -0.12 8.89 -4.23 -1.18 -0.94 115.64 116.52 1vdd s THR 81 Ca 0.25 0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.95 1vdd s THR 81 Cb 0.13 -0.18 0.01 0.00 1.34 0.00 0.00 72.50 73.80 1vdd s THR 81 CO 0.17 0.07 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.50 1vdd s ILE 82 N 0.99 1.75 -0.55 2.99 1.01 0.29 -1.04 121.20 126.64 1vdd s ILE 82 Ca -0.08 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 1vdd s ILE 82 Cb -0.10 -1.57 0.14 0.00 0.01 0.00 0.00 42.46 40.94 1vdd s ILE 82 CO -0.04 0.49 0.45 0.00 0.00 0.00 0.00 174.94 175.84 1vdd s VAL 84 N 1.14 3.70 0.26 0.00 1.01 0.22 -3.00 120.40 123.73 1vdd s VAL 84 Ca 0.08 1.16 0.06 0.00 0.00 0.00 0.00 61.98 63.28 1vdd s VAL 84 Cb -0.25 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 1vdd s VAL 84 CO -0.01 0.05 -0.05 0.54 0.00 0.00 0.00 175.10 175.62 1vdd s VAL 85 N 1.68 1.51 -0.03 2.92 0.11 0.19 -0.06 120.40 126.73 1vdd s VAL 85 Ca 0.62 -2.11 -0.17 0.00 -2.93 0.00 0.00 61.98 57.39 1vdd s VAL 85 Cb -0.32 -2.39 -0.32 0.00 -1.53 0.00 0.00 36.38 31.81 1vdd s VAL 85 CO 0.28 -0.33 0.85 -0.33 -3.33 0.00 0.00 175.10 172.24 1vdd h GLU 86 N 2.34 0.40 -5.03 1.54 5.08 -1.78 0.23 114.58 117.36 1vdd h GLU 86 Ca -0.39 -0.68 -0.33 0.00 -1.00 0.00 0.00 59.36 56.95 1vdd h GLU 86 Cb 1.23 0.25 -0.17 0.00 0.50 0.00 0.00 28.75 30.56 1vdd h GLU 86 CO 0.66 1.33 -0.73 -1.21 -1.00 0.00 0.00 179.01 178.06 1vdd s GLU 87 N -2.52 0.91 0.55 2.33 0.41 -1.26 -2.44 118.70 116.68 1vdd s GLU 87 Ca -0.13 -1.23 0.24 0.00 -0.41 0.00 0.00 54.97 53.44 1vdd s GLU 87 Cb 0.03 -0.58 1.55 0.00 -1.78 0.00 0.00 34.13 33.35 1vdd s GLU 87 CO 0.87 0.09 2.18 -1.00 -0.49 0.00 0.00 175.26 176.91 1vdd h PRO 88 N 3.39 0.00 0.00 0.39 0.13 -1.92 -1.10 132.00 132.88 1vdd h PRO 88 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1vdd h PRO 88 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1vdd h PRO 88 CO 0.55 0.04 0.00 0.78 -0.23 0.00 0.00 178.00 179.14 1vdd h GLY 89 N 0.17 0.00 1.58 1.56 0.00 -2.00 -2.54 103.07 101.84 1vdd h GLY 89 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1vdd h GLY 89 CO 0.00 0.00 -0.92 -0.55 0.00 0.00 0.00 176.54 175.07 1vdd h ASP 90 N 0.00 0.00 -0.27 0.19 3.32 -1.61 -2.89 116.42 115.16 1vdd h ASP 90 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1vdd h ASP 90 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1vdd h ASP 90 CO 0.00 0.58 -0.21 0.58 -1.72 0.00 0.00 179.24 178.47 1vdd h VAL 91 N 0.00 1.27 -0.32 -1.35 2.07 -1.57 0.24 116.25 116.59 1vdd h VAL 91 Ca -0.07 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1vdd h VAL 91 Cb 1.50 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1vdd h VAL 91 CO 0.06 0.43 0.13 0.40 0.02 0.00 0.00 177.57 178.62 1vdd h ILE 92 N 0.65 1.18 -0.57 4.57 1.08 -1.57 -0.61 117.51 122.24 1vdd h ILE 92 Ca 0.09 -0.56 -0.10 0.00 -0.39 0.00 0.00 64.86 63.90 1vdd h ILE 92 Cb 0.70 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 1vdd h ILE 92 CO 0.05 0.20 -0.04 0.00 -0.69 0.00 0.00 178.15 177.67 1vdd h ALA 93 N 0.97 0.85 0.00 1.87 0.00 -1.21 0.13 119.26 121.87 1vdd h ALA 93 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1vdd h ALA 93 Cb 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1vdd h ALA 93 CO -0.01 0.66 0.00 -0.07 0.00 0.00 0.00 179.25 179.83 1vdd h LEU 94 N 0.93 0.00 0.16 0.00 3.38 -0.48 -3.26 115.31 116.04 1vdd h LEU 94 Ca 0.16 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.82 1vdd h LEU 94 Cb 0.59 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1vdd h LEU 94 CO 0.04 0.00 -1.49 -0.33 0.09 0.00 0.00 178.44 176.74 1vdd h GLU 95 N 0.00 0.35 0.00 1.13 4.39 -0.62 -3.14 114.58 116.69 1vdd h GLU 95 Ca 0.00 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.11 1vdd h GLU 95 Cb 0.93 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1vdd h GLU 95 CO 0.00 1.25 0.00 0.00 -1.16 0.00 0.00 179.01 179.10 1vdd h ARG 96 N 0.09 0.00 0.00 2.33 3.08 -0.80 0.32 114.38 119.41 1vdd h ARG 96 Ca -0.24 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 1vdd h ARG 96 Cb 2.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.10 1vdd h ARG 96 CO 0.20 0.00 -0.27 0.77 -1.07 0.00 0.00 179.97 179.60 1vdd h SER 97 N 0.00 0.00 -0.27 7.04 0.02 -1.58 -3.46 113.55 115.29 1vdd h SER 97 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1vdd h SER 97 Cb 0.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1vdd h SER 97 CO 0.00 0.27 -0.03 0.61 -1.14 0.00 0.00 176.83 176.53 1vdd n GLY 98 N 0.70 0.18 0.57 -3.77 0.00 0.11 -4.67 105.19 98.32 1vdd n GLY 98 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 0.09 1.56 -4.56 1.61 1.02 -1.26 -4.87 120.64 114.24 1vdd n GLU 99 Ca -0.02 -1.15 -0.26 0.00 -0.02 0.00 0.00 57.16 55.71 1vdd n GLU 99 Cb 0.26 -1.48 -0.17 0.00 -0.02 0.00 0.00 31.44 30.04 1vdd n GLU 99 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1vdd s TYR 100 N -2.23 1.63 -0.01 -0.32 5.04 -1.26 -5.00 117.35 115.19 1vdd s TYR 100 Ca 0.27 -0.65 0.01 0.00 -2.44 0.00 0.00 57.07 54.26 1vdd s TYR 100 Cb 0.20 -1.19 0.02 0.00 0.35 0.00 0.00 41.96 41.34 1vdd s TYR 100 CO 0.43 -0.34 1.01 2.89 -1.34 0.00 0.00 175.55 178.20 1vdd n ARG 101 N 3.94 2.87 0.00 4.97 1.85 -1.26 -4.94 116.66 124.09 1vdd n ARG 101 Ca -0.21 -1.57 0.00 0.00 -1.00 0.00 0.00 57.85 55.07 1vdd n ARG 101 Cb 0.52 -1.03 0.00 0.00 -1.05 0.00 0.00 32.46 30.89 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 -0.56 0.45 3.63 2.89 0.00 -1.26 -1.48 105.19 108.84 1vdd n GLY 102 Ca 0.01 -1.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 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 3.13 0.00 0.99 1.43 -0.21 -4.55 118.68 119.47 1vdd s LEU 103 Ca 0.00 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1vdd s LEU 103 Cb 0.00 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1vdd s LEU 103 CO 0.00 0.01 0.00 -1.22 0.23 0.00 0.00 176.35 175.37 1vdd n TYR 104 N -0.84 0.00 0.00 0.29 4.02 -1.26 -0.34 117.16 119.03 1vdd n TYR 104 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1vdd n TYR 104 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 1vdd n TYR 104 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1vdd n HIS 105 N 0.00 0.00 -3.52 -0.72 -0.00 -1.16 -4.41 115.22 105.41 1vdd n HIS 105 Ca 0.00 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.80 1vdd n HIS 105 Cb 0.00 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 29.77 1vdd n HIS 105 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1vdd s VAL 106 N 0.00 5.26 0.12 3.57 1.01 -0.23 -0.64 120.40 129.49 1vdd s VAL 106 Ca 0.00 0.33 -0.23 0.00 0.00 0.00 0.00 61.98 62.07 1vdd s VAL 106 Cb 0.00 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1vdd s VAL 106 CO 0.00 0.22 0.71 -0.76 0.00 0.00 0.00 175.10 175.27 1vdd s LEU 107 N 1.81 4.55 -1.13 3.92 1.43 0.07 -4.75 118.68 124.57 1vdd s LEU 107 Ca 0.10 1.49 -0.03 0.00 -1.03 0.00 0.00 54.13 54.66 1vdd s LEU 107 Cb -0.16 -3.15 0.26 0.00 0.03 0.00 0.00 46.19 43.17 1vdd s LEU 107 CO 0.10 0.20 1.93 1.41 0.23 0.00 0.00 176.35 180.23 1vdd n HIS 108 N 1.83 2.66 -3.69 0.29 8.25 -1.26 -3.99 115.22 119.31 1vdd n HIS 108 Ca -0.07 -2.64 0.00 0.00 -0.26 0.00 0.00 57.72 54.75 1vdd n HIS 108 Cb 0.50 -1.42 0.00 0.00 1.12 0.00 0.00 29.99 30.19 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 0.75 -0.67 3.46 -1.41 0.00 -1.02 -4.99 105.19 101.31 1vdd n GLY 109 Ca 0.48 -1.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 1vdd n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vdd s VAL 110 N -2.97 0.01 0.21 1.61 1.01 -1.26 -4.66 120.40 114.35 1vdd s VAL 110 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 61.98 61.56 1vdd s VAL 110 Cb 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 36.38 35.37 1vdd s VAL 110 CO 0.00 -0.05 1.65 0.18 0.00 0.00 0.00 175.10 176.88 1vdd n LEU 111 N 1.46 3.79 -3.36 3.92 4.77 -1.26 -4.95 117.00 121.37 1vdd n LEU 111 Ca -0.18 1.09 -0.24 0.00 -0.03 0.00 0.00 56.01 56.64 1vdd n LEU 111 Cb 0.56 -1.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.03 1vdd n LEU 111 CO 0.19 0.03 -0.25 -0.55 -1.33 0.00 0.00 177.39 175.47 1vdd s SER 112 N 0.94 1.63 0.09 -1.43 0.15 0.25 -4.70 113.70 110.64 1vdd s SER 112 Ca 0.74 -2.39 -0.29 0.00 0.70 0.00 0.00 55.95 54.70 1vdd s SER 112 Cb -0.55 -0.04 -0.15 0.00 -1.71 0.00 0.00 66.02 63.56 1vdd s SER 112 CO 0.37 -0.22 1.65 1.55 1.20 0.00 0.00 173.24 177.79 1vdd h PRO 113 N 6.31 -0.58 -0.95 5.44 0.13 -1.88 1.80 132.00 142.26 1vdd h PRO 113 Ca 0.14 0.04 0.23 0.00 -0.87 0.00 0.00 66.00 65.54 1vdd h PRO 113 Cb 0.97 0.13 -0.07 0.00 0.13 0.00 0.00 31.00 32.17 1vdd h PRO 113 CO 0.27 -0.39 0.63 0.52 -0.23 0.00 0.00 178.00 178.81 1vdd h MET 114 N -0.60 0.34 -0.80 0.86 2.86 -1.95 0.52 114.93 116.15 1vdd h MET 114 Ca -0.04 -0.02 -0.18 0.00 -2.06 0.00 0.00 59.70 57.41 1vdd h MET 114 Cb 0.51 -0.08 -0.11 0.00 0.06 0.00 0.00 31.60 31.98 1vdd h MET 114 CO 0.02 0.22 0.23 0.09 1.06 0.00 0.00 176.91 178.53 1vdd n ASN 115 N -4.50 4.36 -0.19 1.22 3.02 -1.01 -4.89 115.26 113.27 1vdd n ASN 115 Ca 0.21 -3.00 -0.02 0.00 -0.03 0.00 0.00 54.58 51.74 1vdd n ASN 115 Cb 0.79 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 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 -0.06 0.46 3.47 7.41 0.00 0.18 -4.99 105.19 111.67 1vdd n GLY 116 Ca 0.34 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.69 5.12 0.00 1.61 1.01 0.61 -4.94 120.40 122.12 1vdd s VAL 117 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1vdd s VAL 117 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1vdd s VAL 117 CO 0.00 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1vdd n GLY 118 N 5.13 3.33 0.28 4.51 0.00 -1.26 -0.58 105.19 116.59 1vdd n GLY 118 Ca -0.08 -2.11 0.17 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.71 1.61 0.13 -1.96 -3.13 132.00 127.94 1vdd h PRO 119 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.29 1vdd h PRO 119 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 1vdd h PRO 119 CO 0.00 0.03 0.05 -0.44 -0.23 0.00 0.00 178.00 177.41 1vdd h ASP 120 N 0.00 -0.23 -0.02 1.44 5.19 -1.98 0.77 116.42 121.58 1vdd h ASP 120 Ca -0.00 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1vdd h ASP 120 Cb 0.49 0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1vdd h ASP 120 CO 0.00 -0.13 0.00 0.29 -3.12 0.00 0.00 179.24 176.29 1vdd n LYS 121 N -5.28 1.16 -3.20 3.56 4.01 -1.18 -4.82 118.16 112.40 1vdd n LYS 121 Ca 0.12 -0.24 -0.29 0.00 -0.51 0.00 0.00 58.31 57.39 1vdd n LYS 121 Cb 0.44 -1.41 -0.03 0.00 -0.51 0.00 0.00 35.03 33.52 1vdd n LYS 121 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1vdd s LEU 122 N -1.79 4.00 -0.52 -0.35 1.43 0.27 -4.95 118.68 116.77 1vdd s LEU 122 Ca 0.37 0.85 0.04 0.00 -1.03 0.00 0.00 54.13 54.36 1vdd s LEU 122 Cb 0.18 -3.68 0.13 0.00 0.03 0.00 0.00 46.19 42.85 1vdd s LEU 122 CO 0.29 -0.25 0.26 -2.28 0.23 0.00 0.00 176.35 174.61 1vdd s HIS 123 N -2.15 3.22 -0.24 0.29 2.46 -1.26 -4.86 115.29 112.75 1vdd s HIS 123 Ca 0.46 -3.15 0.13 0.00 0.47 0.00 0.00 55.06 52.98 1vdd s HIS 123 Cb -0.11 -2.85 -0.18 0.00 -0.13 0.00 0.00 32.58 29.32 1vdd s HIS 123 CO 0.30 -0.75 0.39 0.44 -2.47 0.00 0.00 174.74 172.64 1vdd n ILE 124 N 3.17 0.00 -0.28 0.89 -0.00 -1.26 -4.67 119.36 117.21 1vdd n ILE 124 Ca 0.05 -0.26 -0.07 0.00 -0.00 0.00 0.00 62.75 62.47 1vdd n ILE 124 Cb 0.33 0.49 -0.06 0.00 -0.00 0.00 0.00 39.64 40.40 1vdd n ILE 124 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1vdd n LYS 125 N -1.72 -0.28 0.30 6.28 0.00 -1.26 0.11 118.16 121.59 1vdd n LYS 125 Ca -0.01 1.00 0.18 0.00 0.00 0.00 0.00 58.31 59.49 1vdd n LYS 125 Cb 0.29 -1.48 0.95 0.00 0.00 0.00 0.00 35.03 34.80 1vdd n LYS 125 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1vdd h PRO 126 N 0.00 0.00 0.24 1.64 0.13 -1.94 -3.27 132.00 128.80 1vdd h PRO 126 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 1vdd h PRO 126 Cb 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 1vdd h PRO 126 CO -0.63 0.03 -0.11 1.25 -0.23 0.00 0.00 178.00 178.31 1vdd h LEU 127 N 0.00 -0.27 -0.56 1.56 6.46 0.47 -3.38 115.31 119.59 1vdd h LEU 127 Ca -0.00 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.85 1vdd h LEU 127 Cb 0.18 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.09 1vdd h LEU 127 CO 0.00 0.03 -0.24 0.18 -0.62 0.00 0.00 178.44 177.79 1vdd n LEU 128 N -4.07 -0.42 -1.70 2.25 4.77 -1.05 -1.07 117.00 115.71 1vdd n LEU 128 Ca -0.04 0.98 -0.02 0.00 -0.03 0.00 0.00 56.01 56.90 1vdd n LEU 128 Cb 0.13 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1vdd n LEU 128 CO 0.10 -0.86 0.91 -0.81 -1.33 0.00 0.00 177.39 175.39 1vdd n PRO 129 N -4.79 0.95 0.00 3.23 -0.04 -1.26 -2.27 135.00 130.82 1vdd n PRO 129 Ca 0.05 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1vdd n PRO 129 Cb 0.21 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 1.80 0.92 -3.64 0.54 1.74 -0.23 -5.02 116.66 112.76 1vdd n ARG 130 Ca 0.07 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.75 1vdd n ARG 130 Cb 0.46 -0.08 -0.10 0.00 -1.02 0.00 0.00 32.46 31.72 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 0.00 4.04 0.00 1.55 1.01 -0.96 -5.01 120.40 121.03 1vdd s VAL 131 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.47 1vdd s VAL 131 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1vdd s VAL 131 CO 0.00 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.18 1vdd n GLY 132 N 4.86 1.16 3.38 4.51 0.00 -1.26 -4.64 105.19 113.19 1vdd n GLY 132 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1vdd n GLY 132 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vdd s GLN 133 N 2.68 1.40 -0.67 1.61 -0.21 -1.26 -0.83 119.66 122.37 1vdd s GLN 133 Ca 0.00 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 53.92 1vdd s GLN 133 Cb 0.00 -1.61 0.00 0.00 1.00 0.00 0.00 33.01 32.40 1vdd s GLN 133 CO 0.00 0.34 0.00 0.41 -2.12 0.00 0.00 175.29 173.92 1vdd n GLY 134 N 0.32 0.86 3.42 3.09 0.00 -1.19 -4.99 105.19 106.70 1vdd n GLY 134 Ca -0.13 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.30 1.52 -0.10 1.61 -1.94 -1.26 -4.93 119.30 111.91 1vdd s MET 135 Ca 0.00 -1.52 0.04 0.00 -1.71 0.00 0.00 55.69 52.50 1vdd s MET 135 Cb 0.00 -1.85 -0.00 0.00 2.01 0.00 0.00 34.83 34.99 1vdd s MET 135 CO 0.00 0.40 -0.24 -2.00 -0.01 0.00 0.00 175.02 173.17 1vdd s GLU 136 N -2.66 3.03 -0.15 2.03 2.12 -0.11 -0.97 118.70 121.98 1vdd s GLU 136 Ca 0.21 -0.88 -0.03 0.00 0.36 0.00 0.00 54.97 54.63 1vdd s GLU 136 Cb -0.08 -2.30 -0.02 0.00 0.26 0.00 0.00 34.13 31.99 1vdd s GLU 136 CO 0.10 0.19 -0.06 0.08 -0.54 0.00 0.00 175.26 175.03 1vdd s VAL 137 N 0.31 3.69 -0.26 3.70 1.01 -0.04 -0.54 120.40 128.26 1vdd s VAL 137 Ca -0.18 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 1vdd s VAL 137 Cb -0.18 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1vdd s VAL 137 CO 0.09 0.49 0.04 -0.63 0.00 0.00 0.00 175.10 175.09 1vdd s ILE 138 N 0.44 3.86 -0.76 2.22 1.01 0.44 -0.38 121.20 128.02 1vdd s ILE 138 Ca -0.05 -0.51 -0.24 0.00 0.00 0.00 0.00 60.65 59.84 1vdd s ILE 138 Cb -0.15 -2.88 0.05 0.00 0.01 0.00 0.00 42.46 39.50 1vdd s ILE 138 CO 0.03 0.25 1.19 -0.76 0.00 0.00 0.00 174.94 175.65 1vdd s LEU 139 N 1.52 3.73 -0.59 2.97 1.43 -0.18 0.70 118.68 128.27 1vdd s LEU 139 Ca 0.04 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1vdd s LEU 139 Cb -0.16 -2.50 0.46 0.00 0.03 0.00 0.00 46.19 44.02 1vdd s LEU 139 CO 0.01 -1.61 1.88 0.00 0.23 0.00 0.00 176.35 176.85 1vdd n ALA 140 N 8.58 6.04 -1.61 4.21 0.00 0.92 -2.88 120.51 135.76 1vdd n ALA 140 Ca 0.06 -3.50 -0.31 0.00 0.00 0.00 0.00 53.44 49.69 1vdd n ALA 140 Cb 0.48 -1.49 0.04 0.00 0.00 0.00 0.00 19.45 18.48 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 -4.68 4.01 1.15 0.00 -1.32 -1.23 -4.34 115.64 109.23 1vdd s THR 141 Ca 0.62 0.73 -0.14 0.00 -1.21 0.00 0.00 61.69 61.69 1vdd s THR 141 Cb 0.49 -3.42 0.24 0.00 -1.51 0.00 0.00 72.50 68.30 1vdd s THR 141 CO 0.00 -0.78 0.81 0.61 -2.21 0.00 0.00 174.62 173.05 1vdd n GLY 142 N -1.77 -2.01 2.12 6.08 0.00 -1.26 -4.91 105.19 103.45 1vdd n GLY 142 Ca 0.08 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 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 -4.80 3.18 -2.64 2.61 -2.24 -1.26 -3.52 114.28 105.61 1vdd n THR 143 Ca 0.03 -3.23 -0.19 0.00 -2.27 0.00 0.00 64.05 58.39 1vdd n THR 143 Cb 0.55 -1.02 0.10 0.00 -2.10 0.00 0.00 70.33 67.86 1vdd n THR 143 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1vdd n THR 144 N -0.89 0.00 0.26 4.28 -2.24 -1.26 -4.78 114.28 109.64 1vdd n THR 144 Ca 0.54 -1.41 0.12 0.00 -2.27 0.00 0.00 64.05 61.03 1vdd n THR 144 Cb 0.86 -0.90 0.72 0.00 -2.10 0.00 0.00 70.33 68.92 1vdd n THR 144 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1vdd h VAL 145 N -0.47 0.64 0.04 2.28 -1.51 -1.99 -0.48 116.25 114.76 1vdd h VAL 145 Ca -0.28 -0.47 -0.16 0.00 -1.23 0.00 0.00 66.70 64.56 1vdd h VAL 145 Cb 1.06 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 1vdd h VAL 145 CO 0.31 0.11 -0.82 -0.33 -1.23 0.00 0.00 177.57 175.61 1vdd h GLU 146 N 0.00 0.09 0.07 5.19 5.08 -1.93 -3.07 114.58 120.01 1vdd h GLU 146 Ca -0.00 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1vdd h GLU 146 Cb 0.28 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1vdd h GLU 146 CO 0.01 1.07 -0.22 0.78 -1.00 0.00 0.00 179.01 179.66 1vdd h GLY 147 N -0.67 -0.36 0.81 -3.84 0.00 -1.64 0.68 103.07 98.04 1vdd h GLY 147 Ca -0.20 0.26 0.14 0.00 0.00 0.00 0.00 47.33 47.52 1vdd h GLY 147 CO -0.04 -0.19 0.46 -0.55 0.00 0.00 0.00 176.54 176.22 1vdd h ASP 148 N -0.38 0.33 0.58 0.19 3.45 -1.14 0.11 116.42 119.56 1vdd h ASP 148 Ca 0.04 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.49 1vdd h ASP 148 Cb 0.43 -0.05 0.01 0.00 -0.56 0.00 0.00 39.33 39.15 1vdd h ASP 148 CO -0.15 0.18 -0.28 0.00 -1.57 0.00 0.00 179.24 177.42 1vdd h ALA 149 N 1.67 -0.78 -0.99 3.45 0.00 -0.81 -1.22 119.26 120.58 1vdd h ALA 149 Ca 0.33 -0.17 0.34 0.00 0.00 0.00 0.00 54.91 55.41 1vdd h ALA 149 Cb 0.79 0.30 -0.16 0.00 0.00 0.00 0.00 17.79 18.72 1vdd h ALA 149 CO -0.09 -0.72 0.53 1.15 0.00 0.00 0.00 179.25 180.11 1vdd h THR 150 N -1.20 0.21 -0.01 0.00 2.02 0.15 0.85 112.91 114.93 1vdd h THR 150 Ca -0.08 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1vdd h THR 150 Cb 0.60 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1vdd h THR 150 CO 0.13 0.04 0.00 0.00 0.37 0.00 0.00 175.52 176.06 1vdd h ALA 151 N 1.89 0.02 -0.32 6.16 0.00 -0.73 -0.99 119.26 125.30 1vdd h ALA 151 Ca 0.75 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.59 1vdd h ALA 151 Cb 1.78 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.50 1vdd h ALA 151 CO -0.66 -0.35 -0.13 1.25 0.00 0.00 0.00 179.25 179.36 1vdd h LEU 152 N -0.24 -0.45 -0.15 0.00 5.85 0.18 0.61 115.31 121.11 1vdd h LEU 152 Ca 0.00 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1vdd h LEU 152 Cb 0.27 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1vdd h LEU 152 CO 0.00 -0.16 -0.28 0.22 -0.34 0.00 0.00 178.44 177.87 1vdd h TYR 153 N -0.07 -0.77 -0.87 1.25 3.20 -0.58 -1.86 116.97 117.26 1vdd h TYR 153 Ca 0.16 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1vdd h TYR 153 Cb 0.32 0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 1vdd h TYR 153 CO -0.34 -0.36 0.56 -0.07 -1.64 0.00 0.00 178.16 176.30 1vdd h LEU 154 N -0.34 0.91 0.27 2.82 3.38 0.29 -1.23 115.31 121.42 1vdd h LEU 154 Ca 0.11 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1vdd h LEU 154 Cb 0.51 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1vdd h LEU 154 CO -0.35 0.62 -0.32 -0.61 0.09 0.00 0.00 178.44 177.87 1vdd h GLN 155 N 1.07 -0.58 -0.66 1.13 4.15 0.93 1.06 115.11 122.21 1vdd h GLN 155 Ca 0.36 0.04 0.19 0.00 0.77 0.00 0.00 58.65 60.01 1vdd h GLN 155 Cb 0.05 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 1vdd h GLN 155 CO -0.13 -0.39 0.49 0.00 -1.93 0.00 0.00 178.83 176.87 1vdd h ARG 156 N -0.60 0.00 0.03 1.69 3.08 -1.28 0.23 114.38 117.53 1vdd h ARG 156 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1vdd h ARG 156 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1vdd h ARG 156 CO -0.06 0.00 -0.15 1.25 -1.07 0.00 0.00 179.97 179.94 1vdd h LEU 157 N 0.00 0.09 0.00 3.04 5.85 -0.20 -3.38 115.31 120.71 1vdd h LEU 157 Ca 0.31 -0.98 -0.06 0.00 0.84 0.00 0.00 57.88 57.99 1vdd h LEU 157 Cb 1.29 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1vdd h LEU 157 CO -0.00 1.06 -0.46 -0.07 -0.34 0.00 0.00 178.44 178.63 1vdd h LEU 158 N -0.87 0.00 -1.32 2.25 3.38 0.17 -3.37 115.31 115.55 1vdd h LEU 158 Ca -0.03 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1vdd h LEU 158 Cb 1.11 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 1vdd h LEU 158 CO 0.03 0.27 0.49 -0.08 0.09 0.00 0.00 178.44 179.24 1vdd h GLU 159 N 0.00 0.83 -0.04 1.13 4.81 -0.73 -2.45 114.58 118.11 1vdd h GLU 159 Ca -0.02 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1vdd h GLU 159 Cb 1.22 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1vdd h GLU 159 CO 0.03 0.55 0.08 -1.00 -0.73 0.00 0.00 179.01 177.93 1vdd h PRO 160 N 0.85 0.00 -7.15 0.92 0.13 -1.79 -3.40 132.00 121.55 1vdd h PRO 160 Ca 0.31 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.94 1vdd h PRO 160 Cb 0.16 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.34 1vdd h PRO 160 CO -0.10 0.00 0.27 -0.51 -0.23 0.00 0.00 178.00 177.43 1vdd s LEU 161 N -7.06 3.42 0.00 1.56 1.43 -0.92 -4.89 118.68 112.21 1vdd s LEU 161 Ca -0.05 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 1vdd s LEU 161 Cb 0.14 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 42.17 1vdd s LEU 161 CO 0.49 -0.73 0.90 0.61 0.23 0.00 0.00 176.35 177.85 1vdd n GLY 162 N -2.51 1.40 3.91 -3.19 0.00 -0.01 -4.85 105.19 99.94 1vdd n GLY 162 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 0.93 3.78 -0.27 4.61 0.00 -0.96 -3.19 121.76 126.66 1vdd s ALA 163 Ca 0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 1vdd s ALA 163 Cb 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 1vdd s ALA 163 CO 0.00 0.49 0.11 0.00 0.00 0.00 0.00 175.76 176.35 1vdd s ALA 164 N -1.83 3.23 -0.18 0.00 0.00 -0.14 -4.83 121.76 118.00 1vdd s ALA 164 Ca 0.40 -1.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.06 1vdd s ALA 164 Cb -0.11 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 1vdd s ALA 164 CO 0.27 -0.62 0.15 0.42 0.00 0.00 0.00 175.76 175.99 1vdd s ILE 165 N 1.63 5.41 0.38 0.00 1.01 -1.26 -0.86 121.20 127.51 1vdd s ILE 165 Ca 0.06 0.24 0.06 0.00 0.00 0.00 0.00 60.65 61.01 1vdd s ILE 165 Cb -0.16 -3.48 -0.07 0.00 0.01 0.00 0.00 42.46 38.76 1vdd s ILE 165 CO 0.05 0.46 0.01 -0.94 0.00 0.00 0.00 174.94 174.52 1vdd s SER 166 N 0.15 3.51 0.05 3.58 1.04 0.49 -4.96 113.70 117.57 1vdd s SER 166 Ca 0.10 -1.35 0.03 0.00 0.48 0.00 0.00 55.95 55.21 1vdd s SER 166 Cb -0.11 -0.32 -0.03 0.00 0.10 0.00 0.00 66.02 65.66 1vdd s SER 166 CO -0.00 -0.46 -0.11 -0.60 0.98 0.00 0.00 173.24 173.05 1vdd s ARG 167 N -3.74 0.66 0.45 4.02 3.52 -1.26 -1.01 118.95 121.59 1vdd s ARG 167 Ca 0.35 -0.82 -0.25 0.00 -0.13 0.00 0.00 55.73 54.89 1vdd s ARG 167 Cb 0.09 -0.54 -0.08 0.00 -1.56 0.00 0.00 34.95 32.86 1vdd s ARG 167 CO 0.17 0.11 1.33 0.96 -0.81 0.00 0.00 175.30 177.07 1vdd s ILE 168 N -1.27 2.42 0.09 4.11 -4.36 -1.14 -4.91 121.20 116.14 1vdd s ILE 168 Ca -0.06 0.35 -0.31 0.00 -0.26 0.00 0.00 60.65 60.38 1vdd s ILE 168 Cb -0.10 -3.20 -0.07 0.00 1.25 0.00 0.00 42.46 40.35 1vdd s ILE 168 CO 0.01 0.03 1.31 0.00 0.24 0.00 0.00 174.94 176.54 1vdd s ALA 169 N -1.29 3.51 0.16 2.27 0.00 -1.26 -4.99 121.76 120.16 1vdd s ALA 169 Ca 0.62 1.00 -0.28 0.00 0.00 0.00 0.00 51.96 53.30 1vdd s ALA 169 Cb -0.39 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.16 1vdd s ALA 169 CO 0.49 -0.55 0.86 0.71 0.00 0.00 0.00 175.76 177.26 1vdd s TYR 170 N 1.14 3.89 0.00 0.00 1.51 -1.26 -4.97 117.35 117.66 1vdd s TYR 170 Ca 0.62 1.73 0.00 0.00 -1.01 0.00 0.00 57.07 58.41 1vdd s TYR 170 Cb -0.34 -2.89 0.00 0.00 -0.11 0.00 0.00 41.96 38.62 1vdd s TYR 170 CO 0.30 0.40 0.00 0.41 -1.11 0.00 0.00 175.55 175.55 1vdd n GLY 171 N 1.81 1.28 3.81 0.71 0.00 -1.26 -4.29 105.19 107.24 1vdd n GLY 171 Ca -0.03 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.39 4.84 0.38 1.61 1.01 -1.26 -4.89 120.40 119.70 1vdd s VAL 172 Ca 0.00 1.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.93 1vdd s VAL 172 Cb 0.00 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 1vdd s VAL 172 CO 0.00 0.53 0.84 -2.16 0.00 0.00 0.00 175.10 174.32 1vdd s PRO 173 N -0.91 4.10 0.18 2.72 0.04 -1.26 -4.96 135.00 134.90 1vdd s PRO 173 Ca 0.28 0.88 -0.31 0.00 0.04 0.00 0.00 61.00 61.88 1vdd s PRO 173 Cb -0.19 -2.30 -0.16 0.00 0.04 0.00 0.00 34.50 31.89 1vdd s PRO 173 CO 0.17 0.05 0.91 0.28 0.04 0.00 0.00 177.00 178.45 1vdd n VAL 174 N -0.56 1.35 -1.00 -0.36 0.31 -1.26 -0.38 118.33 116.42 1vdd n VAL 174 Ca 0.05 -0.34 -0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1vdd n VAL 174 Cb 0.54 -0.48 -0.00 0.00 -0.91 0.00 0.00 33.84 32.99 1vdd n VAL 174 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vdd n GLY 175 N 1.78 0.34 3.80 2.92 0.00 -1.26 -4.99 105.19 107.78 1vdd n GLY 175 Ca 0.16 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1vdd n GLY 175 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vdd s GLY 176 N -2.02 2.69 -0.41 -0.02 0.00 0.48 -5.04 107.32 103.00 1vdd s GLY 176 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 44.72 45.15 1vdd s GLY 176 CO 0.00 0.78 0.13 -0.45 0.00 0.00 0.00 173.10 173.57 1vdd s SER 177 N -1.72 4.52 0.00 1.64 0.15 -1.26 -4.98 113.70 112.05 1vdd s SER 177 Ca 0.50 -2.45 0.00 0.00 0.70 0.00 0.00 55.95 54.69 1vdd s SER 177 Cb -0.17 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 1vdd s SER 177 CO 0.22 -0.32 0.00 0.18 1.20 0.00 0.00 173.24 174.51 1vdd n LEU 178 N 3.85 0.00 -0.40 3.45 4.77 -1.26 0.17 117.00 127.57 1vdd n LEU 178 Ca 0.04 0.00 0.36 0.00 -0.03 0.00 0.00 56.01 56.38 1vdd n LEU 178 Cb 0.38 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 42.10 1vdd n LEU 178 CO 0.26 0.00 1.16 -0.08 -1.33 0.00 0.00 177.39 177.40 1vdd h GLU 179 N 0.00 0.04 -1.82 3.23 4.81 -2.00 1.02 114.58 119.86 1vdd h GLU 179 Ca 0.00 -0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.56 1vdd h GLU 179 Cb 0.00 -0.01 -0.24 0.00 0.63 0.00 0.00 28.75 29.13 1vdd h GLU 179 CO 0.00 0.03 0.84 0.66 -0.73 0.00 0.00 179.01 179.80 1vdd n TYR 180 N -4.94 2.60 -3.52 0.92 4.02 0.44 -4.84 117.16 111.85 1vdd n TYR 180 Ca 0.38 -2.32 -0.12 0.00 -0.01 0.00 0.00 57.90 55.84 1vdd n TYR 180 Cb 1.41 -1.26 -0.11 0.00 -0.02 0.00 0.00 39.34 39.36 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 -4.19 -0.50 0.22 -0.72 2.01 0.35 -4.72 115.64 108.09 1vdd s THR 181 Ca 0.54 0.06 -0.20 0.00 0.31 0.00 0.00 61.69 62.40 1vdd s THR 181 Cb 0.43 -0.66 -0.13 0.00 0.01 0.00 0.00 72.50 72.15 1vdd s THR 181 CO -0.29 -0.04 0.28 -0.90 -0.69 0.00 0.00 174.62 172.98 1vdd n ASP 182 N 5.36 -1.48 0.17 3.53 5.68 -1.26 -4.65 116.55 123.89 1vdd n ASP 182 Ca -0.06 0.79 -0.10 0.00 -0.50 0.00 0.00 54.79 54.92 1vdd n ASP 182 Cb 0.50 -0.73 -0.06 0.00 -1.14 0.00 0.00 41.12 39.69 1vdd n ASP 182 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1vdd h GLU 183 N 0.58 -0.56 -0.68 0.11 3.07 -1.97 -2.82 114.58 112.32 1vdd h GLU 183 Ca -0.25 0.04 0.23 0.00 -0.50 0.00 0.00 59.36 58.88 1vdd h GLU 183 Cb 1.14 0.13 -0.12 0.00 -0.84 0.00 0.00 28.75 29.05 1vdd h GLU 183 CO 0.42 -0.37 0.16 0.28 -1.40 0.00 0.00 179.01 178.10 1vdd n VAL 184 N -4.14 -0.28 0.03 3.13 0.31 -1.26 0.13 118.33 116.24 1vdd n VAL 184 Ca -0.07 1.44 -0.13 0.00 -0.01 0.00 0.00 64.34 65.58 1vdd n VAL 184 Cb 0.27 -2.20 -0.09 0.00 -0.91 0.00 0.00 33.84 30.90 1vdd n VAL 184 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1vdd h THR 185 N 0.00 1.16 -0.67 2.52 2.02 -1.86 -2.41 112.91 113.67 1vdd h THR 185 Ca 0.48 -0.76 0.07 0.00 0.77 0.00 0.00 66.41 66.97 1vdd h THR 185 Cb 1.13 1.65 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 1vdd h THR 185 CO -0.59 0.19 0.45 -0.07 0.37 0.00 0.00 175.52 175.86 1vdd h LEU 186 N -0.42 0.56 -1.16 2.58 3.38 0.12 0.30 115.31 120.67 1vdd h LEU 186 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vdd h LEU 186 Cb 0.37 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1vdd h LEU 186 CO 0.01 0.36 0.51 1.23 0.09 0.00 0.00 178.44 180.64 1vdd h GLY 187 N 0.63 1.15 0.98 0.83 0.00 -0.54 -2.17 103.07 103.95 1vdd h GLY 187 Ca 0.30 -0.45 -0.19 0.00 0.00 0.00 0.00 47.33 46.99 1vdd h GLY 187 CO -0.10 0.44 -0.69 3.21 0.00 0.00 0.00 176.54 179.41 1vdd h ARG 188 N 1.10 0.59 -0.09 4.80 2.47 -0.29 -2.34 114.38 120.62 1vdd h ARG 188 Ca 0.29 -0.54 0.02 0.00 -1.26 0.00 0.00 59.98 58.50 1vdd h ARG 188 Cb -0.09 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1vdd h ARG 188 CO -0.06 1.16 0.19 0.00 0.56 0.00 0.00 179.97 181.83 1vdd h ALA 189 N 0.44 1.46 0.00 0.04 0.00 -0.14 0.77 119.26 121.83 1vdd h ALA 189 Ca -0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1vdd h ALA 189 Cb 1.34 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1vdd h ALA 189 CO 0.14 -0.24 -0.41 -0.07 0.00 0.00 0.00 179.25 178.67 1vdd h LEU 190 N 0.00 0.00 -0.94 0.00 3.38 -1.33 -3.05 115.31 113.38 1vdd h LEU 190 Ca 0.04 -0.08 0.28 0.00 0.09 0.00 0.00 57.88 58.21 1vdd h LEU 190 Cb 0.43 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.03 1vdd h LEU 190 CO -0.00 0.75 0.36 0.74 0.09 0.00 0.00 178.44 180.39 1vdd h THR 191 N -1.00 0.28 -0.60 0.22 2.02 -0.88 0.56 112.91 113.52 1vdd h THR 191 Ca -0.03 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1vdd h THR 191 Cb 0.45 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1vdd h THR 191 CO -0.02 0.04 0.00 0.61 0.37 0.00 0.00 175.52 176.52 1vdd n GLY 192 N -1.35 2.95 3.12 2.16 0.00 0.22 -5.00 105.19 107.29 1vdd n GLY 192 Ca 0.26 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 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 0.73 -3.54 -3.89 1.61 1.85 0.19 -5.00 116.66 108.62 1vdd n ARG 193 Ca 0.28 -1.05 -0.12 0.00 -1.00 0.00 0.00 57.85 55.96 1vdd n ARG 193 Cb 1.15 -1.70 -0.13 0.00 -1.05 0.00 0.00 32.46 30.73 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 -4.25 0.05 0.02 2.89 -0.21 -1.26 -5.07 119.66 111.83 1vdd s GLN 194 Ca 0.51 -0.10 -0.30 0.00 0.02 0.00 0.00 55.36 55.49 1vdd s GLN 194 Cb -0.09 0.02 -0.06 0.00 1.00 0.00 0.00 33.01 33.87 1vdd s GLN 194 CO 0.44 -0.01 1.45 0.99 -2.12 0.00 0.00 175.29 176.04 1vdd s THR 195 N -0.24 3.57 -1.45 -0.19 2.01 -1.26 -4.86 115.64 113.22 1vdd s THR 195 Ca -0.03 0.97 0.12 0.00 0.31 0.00 0.00 61.69 63.06 1vdd s THR 195 Cb -0.02 -3.62 0.10 0.00 0.01 0.00 0.00 72.50 68.97 1vdd s THR 195 CO -0.00 -0.00 0.88 0.52 -0.69 0.00 0.00 174.62 175.33 1vdd n VAL 196 N 4.66 0.03 0.16 3.82 0.31 -1.26 -5.35 118.33 120.71 1vdd n VAL 196 Ca 0.14 -0.52 0.02 0.00 -0.01 0.00 0.00 64.34 63.97 1vdd n VAL 196 Cb 0.43 1.22 0.02 0.00 -0.91 0.00 0.00 33.84 34.60 1vdd n VAL 196 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27