#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4vhb s ASP 3 N 0.00 6.11 0.23 -1.43 1.47 -1.26 -4.86 116.67 116.93 4vhb s ASP 3 Ca 0.00 1.54 -0.07 0.00 1.18 0.00 0.00 52.55 55.20 4vhb s ASP 3 Cb 0.00 -2.49 0.21 0.00 -0.34 0.00 0.00 42.92 40.30 4vhb s ASP 3 CO 0.00 -0.95 1.87 -0.61 0.68 0.00 0.00 175.17 176.17 4vhb h GLN 4 N -0.02 1.24 -0.34 2.11 5.75 -2.05 -0.51 115.11 121.30 4vhb h GLN 4 Ca -0.45 -0.12 0.09 0.00 -0.15 0.00 0.00 58.65 58.02 4vhb h GLN 4 Cb 1.20 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.48 4vhb h GLN 4 CO 0.60 0.88 0.24 0.37 -2.65 0.00 0.00 178.83 178.28 4vhb h GLN 5 N 1.26 0.03 0.20 1.69 5.75 -1.98 1.18 115.11 123.23 4vhb h GLN 5 Ca 0.32 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.81 4vhb h GLN 5 Cb -0.03 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.52 4vhb h GLN 5 CO -0.06 0.02 -0.10 1.15 -2.65 0.00 0.00 178.83 177.20 4vhb h THR 6 N 0.03 0.88 -0.73 2.39 2.02 -1.56 0.16 112.91 116.09 4vhb h THR 6 Ca 0.16 -0.83 0.03 0.00 0.77 0.00 0.00 66.41 66.54 4vhb h THR 6 Cb 0.60 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 4vhb h THR 6 CO -0.01 0.18 0.48 0.40 0.37 0.00 0.00 175.52 176.94 4vhb h ILE 7 N -0.71 1.12 -0.53 3.11 2.04 0.50 -0.68 117.51 122.36 4vhb h ILE 7 Ca -0.03 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 4vhb h ILE 7 Cb 0.49 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 4vhb h ILE 7 CO 0.05 0.17 0.26 0.78 0.00 0.00 0.00 178.15 179.40 4vhb h ASN 8 N 0.91 0.70 -0.78 1.72 -0.26 0.17 0.11 115.58 118.15 4vhb h ASN 8 Ca 0.29 -0.13 -0.02 0.00 -0.56 0.00 0.00 56.30 55.88 4vhb h ASN 8 Cb 0.02 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.07 4vhb h ASN 8 CO -0.08 0.63 0.40 0.40 -1.06 0.00 0.00 177.43 177.73 4vhb h ILE 9 N 0.71 1.24 0.19 2.81 2.04 0.43 -1.62 117.51 123.31 4vhb h ILE 9 Ca 0.18 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 4vhb h ILE 9 Cb 0.12 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 4vhb h ILE 9 CO -0.02 0.28 -0.09 0.40 0.00 0.00 0.00 178.15 178.72 4vhb h ILE 10 N 1.11 0.91 -0.86 -0.67 1.08 -0.10 -1.03 117.51 117.94 4vhb h ILE 10 Ca 0.28 -0.51 0.07 0.00 -0.39 0.00 0.00 64.86 64.31 4vhb h ILE 10 Cb 0.07 1.21 -0.06 0.00 -3.07 0.00 0.00 36.82 34.98 4vhb h ILE 10 CO -0.04 0.12 0.56 0.11 -0.69 0.00 0.00 178.15 178.21 4vhb h LYS 11 N -0.50 0.92 -0.01 2.37 1.57 -0.68 -1.56 116.57 118.67 4vhb h LYS 11 Ca -0.03 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.48 4vhb h LYS 11 Cb 0.38 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.48 4vhb h LYS 11 CO 0.04 0.61 -0.92 0.00 -0.57 0.00 0.00 179.45 178.62 4vhb h ALA 12 N 1.54 0.39 0.00 3.86 0.00 -1.25 -3.38 119.26 120.42 4vhb h ALA 12 Ca 0.37 -0.70 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 4vhb h ALA 12 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 4vhb h ALA 12 CO -0.14 0.81 -1.45 0.25 0.00 0.00 0.00 179.25 178.72 4vhb n THR 13 N -3.76 0.61 -0.24 0.00 -2.24 -0.40 -4.47 114.28 103.79 4vhb n THR 13 Ca -0.06 -0.58 0.04 0.00 -2.27 0.00 0.00 64.05 61.17 4vhb n THR 13 Cb 0.82 -0.33 0.16 0.00 -2.10 0.00 0.00 70.33 68.88 4vhb n THR 13 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 4vhb h VAL 14 N 0.00 0.66 -0.30 2.28 3.04 -1.47 0.77 116.25 121.23 4vhb h VAL 14 Ca -0.07 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 4vhb h VAL 14 Cb 1.20 0.22 -0.02 0.00 -2.01 0.00 0.00 31.29 30.68 4vhb h VAL 14 CO 0.01 0.07 0.15 -0.65 -1.01 0.00 0.00 177.57 176.14 4vhb h PRO 15 N 0.40 0.41 -0.40 4.17 0.11 -1.81 0.22 132.00 135.11 4vhb h PRO 15 Ca 0.39 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.30 4vhb h PRO 15 Cb 0.58 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 4vhb h PRO 15 CO -0.40 0.32 -0.36 0.28 -0.21 0.00 0.00 178.00 177.62 4vhb h VAL 16 N 0.41 1.27 -0.36 3.15 2.07 -1.19 -2.17 116.25 119.43 4vhb h VAL 16 Ca 0.11 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 4vhb h VAL 16 Cb 0.04 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 4vhb h VAL 16 CO -0.02 0.51 0.11 -0.07 0.02 0.00 0.00 177.57 178.13 4vhb h LEU 17 N 0.77 0.52 -1.71 2.57 3.38 0.11 -2.39 115.31 118.55 4vhb h LEU 17 Ca 0.07 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.94 4vhb h LEU 17 Cb 0.95 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 4vhb h LEU 17 CO 0.09 0.59 0.38 0.11 0.09 0.00 0.00 178.44 179.70 4vhb h LYS 18 N 0.43 0.31 -0.86 1.13 1.57 -0.62 0.30 116.57 118.84 4vhb h LYS 18 Ca 0.12 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 4vhb h LYS 18 Cb 0.26 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 4vhb h LYS 18 CO -0.00 0.21 0.42 1.49 -0.57 0.00 0.00 179.45 180.99 4vhb h GLU 19 N 0.32 1.23 -0.67 3.15 4.57 -0.89 -1.30 114.58 120.98 4vhb h GLU 19 Ca 0.26 -0.18 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 4vhb h GLU 19 Cb 0.60 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 4vhb h GLU 19 CO -0.06 0.94 0.04 0.72 -1.18 0.00 0.00 179.01 179.46 4vhb n HIS 20 N -4.30 1.80 -0.34 0.92 8.25 0.91 -4.73 115.22 117.73 4vhb n HIS 20 Ca 0.09 -0.67 0.02 0.00 -0.26 0.00 0.00 57.72 56.90 4vhb n HIS 20 Cb 0.14 -0.47 0.09 0.00 1.12 0.00 0.00 29.99 30.86 4vhb n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 4vhb n GLY 21 N 0.43 -1.72 0.35 -1.41 0.00 -0.40 -0.93 105.19 101.51 4vhb n GLY 21 Ca 0.25 1.01 0.09 0.00 0.00 0.00 0.00 46.02 47.37 4vhb n GLY 21 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 4vhb h VAL 22 N 0.00 0.95 -0.01 1.61 3.04 -1.85 0.14 116.25 120.13 4vhb h VAL 22 Ca 0.39 -0.19 -0.06 0.00 -1.01 0.00 0.00 66.70 65.82 4vhb h VAL 22 Cb 0.62 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.25 4vhb h VAL 22 CO -0.94 0.10 -0.23 0.74 -1.01 0.00 0.00 177.57 176.23 4vhb h THR 23 N 0.56 1.54 -0.48 3.17 2.02 -1.41 -1.59 112.91 116.71 4vhb h THR 23 Ca 0.29 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 65.56 4vhb h THR 23 Cb 0.41 2.74 -0.02 0.00 -1.74 0.00 0.00 68.15 69.53 4vhb h THR 23 CO -0.09 0.52 0.31 0.40 0.37 0.00 0.00 175.52 177.03 4vhb h ILE 24 N -0.50 1.13 -0.32 3.11 2.04 -0.81 -1.68 117.51 120.49 4vhb h ILE 24 Ca -0.03 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.60 4vhb h ILE 24 Cb 0.98 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 4vhb h ILE 24 CO 0.05 0.13 0.12 0.74 0.00 0.00 0.00 178.15 179.19 4vhb h THR 25 N 0.65 0.93 -0.28 -0.27 2.02 -0.73 0.29 112.91 115.52 4vhb h THR 25 Ca 0.18 -0.09 -0.19 0.00 0.77 0.00 0.00 66.41 67.08 4vhb h THR 25 Cb -0.06 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 4vhb h THR 25 CO -0.04 0.05 -0.55 0.71 0.37 0.00 0.00 175.52 176.06 4vhb h THR 26 N 0.27 1.27 -0.29 3.16 1.35 -1.13 -2.42 112.91 115.13 4vhb h THR 26 Ca 0.14 -1.74 -0.03 0.00 -0.55 0.00 0.00 66.41 64.23 4vhb h THR 26 Cb 0.09 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 4vhb h THR 26 CO -0.13 0.57 0.05 0.74 -0.25 0.00 0.00 175.52 176.50 4vhb h THR 27 N 0.66 1.23 0.00 6.82 2.02 -1.27 -1.41 112.91 120.96 4vhb h THR 27 Ca 0.01 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.45 4vhb h THR 27 Cb 1.17 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 4vhb h THR 27 CO 0.12 0.25 -0.35 0.15 0.37 0.00 0.00 175.52 176.07 4vhb h PHE 28 N 0.30 -0.96 -0.50 3.16 3.57 -0.83 -0.96 116.94 120.71 4vhb h PHE 28 Ca 0.09 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 4vhb h PHE 28 Cb 0.32 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 4vhb h PHE 28 CO 0.02 -0.44 0.01 1.88 -2.23 0.00 0.00 178.31 177.56 4vhb h TYR 29 N -0.50 0.89 0.19 0.41 0.05 -1.42 0.11 116.97 116.69 4vhb h TYR 29 Ca 0.06 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 4vhb h TYR 29 Cb 0.59 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.09 4vhb h TYR 29 CO -0.36 0.81 -0.09 -0.22 -1.05 0.00 0.00 178.16 177.24 4vhb h LYS 30 N 0.78 -0.24 -0.27 4.88 3.64 -1.09 -1.41 116.57 122.87 4vhb h LYS 30 Ca 0.15 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 4vhb h LYS 30 Cb 0.45 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 4vhb h LYS 30 CO 0.02 -0.14 -0.41 -0.91 -2.27 0.00 0.00 179.45 175.74 4vhb h ASN 31 N -0.28 0.68 0.14 4.20 2.35 -0.99 -1.72 115.58 119.96 4vhb h ASN 31 Ca -0.03 -0.31 0.01 0.00 -0.55 0.00 0.00 56.30 55.43 4vhb h ASN 31 Cb 0.21 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 4vhb h ASN 31 CO 0.04 1.01 -0.21 0.25 -1.65 0.00 0.00 177.43 176.88 4vhb h LEU 32 N 0.52 -0.57 -0.75 1.61 5.85 -0.59 -0.55 115.31 120.84 4vhb h LEU 32 Ca 0.04 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 4vhb h LEU 32 Cb 0.93 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 4vhb h LEU 32 CO 0.08 -0.29 -0.56 -0.26 -0.34 0.00 0.00 178.44 177.07 4vhb h PHE 33 N -0.41 0.24 -0.04 1.25 0.04 -1.21 -1.43 116.94 115.38 4vhb h PHE 33 Ca 0.02 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 4vhb h PHE 33 Cb 0.41 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.52 4vhb h PHE 33 CO -0.18 0.71 -0.26 0.00 -0.60 0.00 0.00 178.31 177.97 4vhb h ALA 34 N 1.27 0.09 0.00 2.45 0.00 -1.22 -3.22 119.26 118.64 4vhb h ALA 34 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 4vhb h ALA 34 Cb 1.03 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 4vhb h ALA 34 CO 0.08 0.12 -0.04 0.87 0.00 0.00 0.00 179.25 180.28 4vhb h LYS 35 N -0.29 0.00 -2.04 0.00 1.57 -1.15 -3.38 116.57 111.28 4vhb h LYS 35 Ca -0.02 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.23 4vhb h LYS 35 Cb 0.93 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.85 4vhb h LYS 35 CO 0.05 0.04 -1.06 0.72 -0.57 0.00 0.00 179.45 178.63 4vhb n HIS 36 N -3.13 0.61 0.29 -1.35 8.25 -0.54 -4.92 115.22 114.44 4vhb n HIS 36 Ca 0.02 -3.76 0.18 0.00 -0.26 0.00 0.00 57.72 53.90 4vhb n HIS 36 Cb 0.42 -0.41 0.95 0.00 1.12 0.00 0.00 29.99 32.07 4vhb n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 4vhb h PRO 37 N 3.49 0.00 0.00 -0.41 0.11 -1.74 -1.20 132.00 132.25 4vhb h PRO 37 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 4vhb h PRO 37 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 4vhb h PRO 37 CO 0.54 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.38 4vhb h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.91 -0.89 114.58 121.92 4vhb h GLU 38 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.44 4vhb h GLU 38 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 4vhb h GLU 38 CO -0.00 0.00 -0.86 1.33 0.05 0.00 0.00 179.01 179.53 4vhb n VAL 39 N -2.74 0.04 -0.28 -1.06 0.24 -0.45 -4.37 118.33 109.71 4vhb n VAL 39 Ca -0.01 -0.07 0.09 0.00 -2.04 0.00 0.00 64.34 62.31 4vhb n VAL 39 Cb 0.13 0.53 0.23 0.00 -1.47 0.00 0.00 33.84 33.25 4vhb n VAL 39 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 4vhb h ARG 40 N 0.00 0.19 -0.25 7.34 3.08 -1.28 -1.10 114.38 122.36 4vhb h ARG 40 Ca 0.00 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.11 4vhb h ARG 40 Cb 0.57 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 4vhb h ARG 40 CO 0.00 0.12 0.22 -1.35 -1.07 0.00 0.00 179.97 177.89 4vhb h PRO 41 N 0.19 0.00 0.00 0.04 0.11 -1.77 -1.78 132.00 128.79 4vhb h PRO 41 Ca 0.49 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.55 4vhb h PRO 41 Cb 0.92 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 4vhb h PRO 41 CO -0.63 0.00 -0.21 -0.07 -0.21 0.00 0.00 178.00 176.87 4vhb h LEU 42 N 0.00 0.00 0.00 2.35 3.38 -1.49 -3.53 115.31 116.02 4vhb h LEU 42 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 4vhb h LEU 42 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 4vhb h LEU 42 CO -0.00 0.21 0.00 0.49 0.09 0.00 0.00 178.44 179.23 4vhb n PHE 43 N -3.45 0.00 0.00 1.13 3.01 -0.67 -4.95 117.46 112.53 4vhb n PHE 43 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 4vhb n PHE 43 Cb 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 4vhb n PHE 43 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 4vhb n LEU 51 N 0.00 0.00 -4.54 4.37 4.77 -1.26 -5.12 117.00 115.22 4vhb n LEU 51 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 4vhb n LEU 51 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 4vhb n LEU 51 CO 0.00 0.00 1.49 -1.61 -1.33 0.00 0.00 177.39 175.94 4vhb s GLU 52 N -0.61 3.70 0.04 3.23 2.02 -1.26 -4.98 118.70 120.85 4vhb s GLU 52 Ca 0.00 -1.50 0.02 0.00 0.02 0.00 0.00 54.97 53.52 4vhb s GLU 52 Cb 0.00 -5.30 -0.04 0.00 0.10 0.00 0.00 34.13 28.89 4vhb s GLU 52 CO 0.00 -2.12 0.02 -0.65 0.02 0.00 0.00 175.26 172.54 4vhb s GLN 53 N 4.22 2.77 0.60 1.61 -1.52 -1.26 -5.11 119.66 120.97 4vhb s GLN 53 Ca 0.45 -0.67 -0.16 0.00 -1.95 0.00 0.00 55.36 53.03 4vhb s GLN 53 Cb -0.00 -2.67 -0.04 0.00 -0.22 0.00 0.00 33.01 30.08 4vhb s GLN 53 CO -0.06 0.59 1.06 -1.25 -0.25 0.00 0.00 175.29 175.38 4vhb s PRO 54 N -1.93 3.31 0.00 2.91 0.04 -1.26 -4.94 135.00 133.12 4vhb s PRO 54 Ca 0.23 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.47 4vhb s PRO 54 Cb -0.12 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.39 4vhb s PRO 54 CO 0.15 -0.82 0.00 1.63 0.04 0.00 0.00 177.00 178.00 4vhb n LYS 55 N -2.06 1.32 0.02 4.56 4.76 -1.26 -4.98 118.16 120.53 4vhb n LYS 55 Ca 0.09 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.65 4vhb n LYS 55 Cb 0.53 -0.11 0.34 0.00 -1.84 0.00 0.00 35.03 33.95 4vhb n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 4vhb n ALA 56 N 0.00 2.97 0.09 7.82 0.00 -1.26 -4.61 120.51 125.52 4vhb n ALA 56 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 4vhb n ALA 56 Cb 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.12 4vhb n ALA 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 4vhb h LEU 57 N 0.00 -1.15 -0.84 0.00 7.12 -1.98 -1.85 115.31 116.61 4vhb h LEU 57 Ca 0.00 0.12 -0.03 0.00 0.13 0.00 0.00 57.88 58.10 4vhb h LEU 57 Cb 0.58 0.42 -0.04 0.00 -0.53 0.00 0.00 40.66 41.09 4vhb h LEU 57 CO 0.00 -0.41 0.43 0.00 -0.13 0.00 0.00 178.44 178.32 4vhb h ALA 58 N -0.85 1.08 -0.05 1.25 0.00 -1.94 -1.71 119.26 117.05 4vhb h ALA 58 Ca -0.01 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 4vhb h ALA 58 Cb 0.56 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 4vhb h ALA 58 CO -0.20 0.63 -0.55 0.52 0.00 0.00 0.00 179.25 179.65 4vhb h MET 59 N 1.19 0.14 -0.52 0.00 2.86 -1.81 -1.76 114.93 115.03 4vhb h MET 59 Ca 0.29 -0.09 -0.11 0.00 -2.06 0.00 0.00 59.70 57.73 4vhb h MET 59 Cb 0.08 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 4vhb h MET 59 CO -0.04 0.66 -0.12 1.15 1.06 0.00 0.00 176.91 179.62 4vhb h THR 60 N 0.11 1.27 -0.62 2.22 2.02 -1.09 -0.36 112.91 116.45 4vhb h THR 60 Ca -0.00 -1.27 -0.06 0.00 0.77 0.00 0.00 66.41 65.86 4vhb h THR 60 Cb 1.01 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 4vhb h THR 60 CO 0.08 0.44 0.17 0.58 0.37 0.00 0.00 175.52 177.16 4vhb h VAL 61 N 0.87 1.24 -0.63 3.16 2.07 -1.06 -0.76 116.25 121.14 4vhb h VAL 61 Ca 0.13 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 4vhb h VAL 61 Cb 0.68 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 4vhb h VAL 61 CO 0.05 0.33 0.15 -0.07 0.02 0.00 0.00 177.57 178.05 4vhb h LEU 62 N 0.93 0.96 -0.72 2.57 3.38 -0.81 0.21 115.31 121.82 4vhb h LEU 62 Ca 0.20 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 4vhb h LEU 62 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 4vhb h LEU 62 CO -0.00 0.95 0.19 0.00 0.09 0.00 0.00 178.44 179.66 4vhb h ALA 63 N 1.05 0.95 -0.43 1.53 0.00 -0.63 -0.19 119.26 121.53 4vhb h ALA 63 Ca 0.20 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 4vhb h ALA 63 Cb 0.36 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 4vhb h ALA 63 CO 0.00 0.66 -0.18 0.00 0.00 0.00 0.00 179.25 179.74 4vhb h ALA 64 N 1.09 0.88 -0.62 0.00 0.00 -0.57 -2.75 119.26 117.29 4vhb h ALA 64 Ca 0.23 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 4vhb h ALA 64 Cb 0.36 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 4vhb h ALA 64 CO 0.00 0.63 0.12 0.00 0.00 0.00 0.00 179.25 180.00 4vhb h ALA 65 N 1.06 1.04 -0.52 0.00 0.00 -0.53 0.69 119.26 121.00 4vhb h ALA 65 Ca 0.11 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.79 4vhb h ALA 65 Cb 0.69 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 4vhb h ALA 65 CO 0.05 0.62 0.34 0.37 0.00 0.00 0.00 179.25 180.64 4vhb h GLN 66 N 0.95 0.62 -0.74 0.00 5.75 -0.81 -1.19 115.11 119.67 4vhb h GLN 66 Ca 0.20 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.59 4vhb h GLN 66 Cb 0.38 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 4vhb h GLN 66 CO 0.01 0.41 0.08 0.09 -2.65 0.00 0.00 178.83 176.77 4vhb n ASN 67 N -4.47 4.38 0.11 -0.69 4.13 0.14 -4.69 115.26 114.17 4vhb n ASN 67 Ca 0.05 -2.78 0.19 0.00 1.68 0.00 0.00 54.58 53.72 4vhb n ASN 67 Cb 0.10 -0.66 0.76 0.00 -1.54 0.00 0.00 39.78 38.45 4vhb n ASN 67 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 4vhb h ILE 68 N 2.60 0.52 -0.00 2.41 6.09 -0.20 0.19 117.51 129.12 4vhb h ILE 68 Ca 0.08 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.57 4vhb h ILE 68 Cb 1.74 0.75 0.00 0.00 0.47 0.00 0.00 36.82 39.78 4vhb h ILE 68 CO 0.45 0.00 -0.31 -0.62 -3.07 0.00 0.00 178.15 174.59 4vhb n GLU 69 N -3.94 0.12 -2.92 2.19 1.02 -1.26 -4.33 120.64 111.52 4vhb n GLU 69 Ca 0.06 -0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 4vhb n GLU 69 Cb 0.49 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.44 4vhb n GLU 69 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 4vhb n ASN 70 N -1.39 -1.38 0.19 1.62 5.15 0.64 -4.97 115.26 115.12 4vhb n ASN 70 Ca 0.07 -3.26 0.12 0.00 -0.60 0.00 0.00 54.58 50.91 4vhb n ASN 70 Cb 0.33 0.90 0.69 0.00 -0.53 0.00 0.00 39.78 41.17 4vhb n ASN 70 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 4vhb h LEU 71 N 3.46 0.00 -2.64 1.20 3.38 -1.68 -1.56 115.31 117.47 4vhb h LEU 71 Ca -0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.94 4vhb h LEU 71 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 4vhb h LEU 71 CO 0.32 0.00 0.04 -0.65 0.09 0.00 0.00 178.44 178.25 4vhb h PRO 72 N 0.00 0.00 0.00 1.13 0.11 -1.93 0.55 132.00 131.85 4vhb h PRO 72 Ca 0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 4vhb h PRO 72 Cb 0.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 4vhb h PRO 72 CO -0.00 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 177.77 4vhb h ALA 73 N 1.94 1.83 -0.63 -0.75 0.00 -1.65 -1.97 119.26 118.03 4vhb h ALA 73 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 4vhb h ALA 73 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 4vhb h ALA 73 CO -0.00 0.03 0.00 0.44 0.00 0.00 0.00 179.25 179.72 4vhb n ILE 74 N -4.31 1.34 -0.32 0.00 -5.35 0.18 -4.56 119.36 106.33 4vhb n ILE 74 Ca -0.03 -1.10 0.13 0.00 -0.27 0.00 0.00 62.75 61.48 4vhb n ILE 74 Cb 0.11 0.35 0.36 0.00 -1.74 0.00 0.00 39.64 38.72 4vhb n ILE 74 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 4vhb h LEU 75 N 3.78 0.70 -1.45 7.28 3.38 -1.36 -0.55 115.31 127.09 4vhb h LEU 75 Ca 0.00 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 4vhb h LEU 75 Cb 1.13 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 4vhb h LEU 75 CO 0.09 0.29 0.29 -0.65 0.09 0.00 0.00 178.44 178.55 4vhb h PRO 76 N 0.70 0.66 0.14 1.13 0.11 -1.83 0.48 132.00 133.38 4vhb h PRO 76 Ca 0.52 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.57 4vhb h PRO 76 Cb 0.88 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.85 4vhb h PRO 76 CO -0.28 0.47 -0.07 0.00 -0.21 0.00 0.00 178.00 177.90 4vhb h ALA 77 N 1.65 -0.19 -0.79 -0.75 0.00 -1.60 -3.13 119.26 114.46 4vhb h ALA 77 Ca 0.18 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 55.01 4vhb h ALA 77 Cb -0.02 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.74 4vhb h ALA 77 CO -0.03 -0.28 0.30 0.28 0.00 0.00 0.00 179.25 179.52 4vhb h VAL 78 N -0.83 0.59 -0.91 0.00 2.07 -0.68 -1.25 116.25 115.25 4vhb h VAL 78 Ca -0.02 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.37 4vhb h VAL 78 Cb 0.54 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 4vhb h VAL 78 CO 0.03 0.07 0.60 0.11 0.02 0.00 0.00 177.57 178.41 4vhb h LYS 79 N 0.41 1.20 -0.02 1.57 6.56 -0.13 -0.70 116.57 125.45 4vhb h LYS 79 Ca 0.45 -0.07 -0.20 0.00 -1.06 0.00 0.00 60.65 59.77 4vhb h LYS 79 Cb 0.74 -0.27 -0.00 0.00 -0.57 0.00 0.00 32.23 32.13 4vhb h LYS 79 CO -0.45 0.79 -0.84 0.87 -2.06 0.00 0.00 179.45 177.76 4vhb h LYS 80 N 1.23 0.33 -0.73 3.15 1.79 -1.27 -3.01 116.57 118.06 4vhb h LYS 80 Ca 0.33 -0.33 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 4vhb h LYS 80 Cb -0.14 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 4vhb h LYS 80 CO -0.07 1.00 0.38 0.82 -1.08 0.00 0.00 179.45 180.50 4vhb h ILE 81 N 0.20 1.23 -0.94 1.86 2.04 -0.98 -2.63 117.51 118.29 4vhb h ILE 81 Ca -0.05 -0.61 0.13 0.00 1.00 0.00 0.00 64.86 65.33 4vhb h ILE 81 Cb 1.45 0.29 -0.09 0.00 -0.74 0.00 0.00 36.82 37.74 4vhb h ILE 81 CO 0.14 0.26 0.56 0.00 0.00 0.00 0.00 178.15 179.11 4vhb h ALA 82 N 1.19 1.43 -0.50 1.87 0.00 -1.11 0.19 119.26 122.33 4vhb h ALA 82 Ca 0.25 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 4vhb h ALA 82 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 4vhb h ALA 82 CO -0.04 0.09 0.15 0.28 0.00 0.00 0.00 179.25 179.73 4vhb h VAL 83 N 0.84 1.23 -0.20 0.00 2.07 -1.35 0.73 116.25 119.57 4vhb h VAL 83 Ca 0.49 -0.78 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 4vhb h VAL 83 Cb 0.57 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 4vhb h VAL 83 CO -0.30 0.28 -0.50 0.11 0.02 0.00 0.00 177.57 177.18 4vhb h LYS 84 N 0.68 0.54 -0.44 1.57 1.79 -0.39 -1.65 116.57 118.67 4vhb h LYS 84 Ca 0.16 -0.32 -0.03 0.00 -2.18 0.00 0.00 60.65 58.28 4vhb h LYS 84 Cb 0.28 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 4vhb h LYS 84 CO -0.00 0.92 0.15 0.45 -1.08 0.00 0.00 179.45 179.89 4vhb h HIS 85 N 0.43 0.69 -0.24 -1.35 3.86 -0.37 -1.40 115.15 116.76 4vhb h HIS 85 Ca 0.02 -0.06 -0.09 0.00 -1.16 0.00 0.00 60.37 59.07 4vhb h HIS 85 Cb 1.03 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 4vhb h HIS 85 CO 0.04 0.61 -0.24 0.00 0.86 0.00 0.00 177.93 179.20 4vhb h GLN 87 N 0.40 0.40 0.00 0.00 4.15 -1.04 -3.17 115.11 115.84 4vhb h GLN 87 Ca 0.06 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.38 4vhb h GLN 87 Cb 0.65 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.29 4vhb h GLN 87 CO 0.05 0.53 -0.46 0.00 -1.93 0.00 0.00 178.83 177.02 4vhb h ALA 88 N 1.50 0.72 0.00 3.38 0.00 -0.59 -3.48 119.26 120.79 4vhb h ALA 88 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 4vhb h ALA 88 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 4vhb h ALA 88 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 4vhb n GLY 89 N 1.28 1.07 3.73 0.00 0.00 -0.62 -4.86 105.19 105.79 4vhb n GLY 89 Ca 0.03 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 4vhb n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4vhb s VAL 90 N -2.00 2.94 0.24 1.61 1.01 -0.77 -5.03 120.40 118.42 4vhb s VAL 90 Ca 0.00 0.74 0.11 0.00 0.00 0.00 0.00 61.98 62.83 4vhb s VAL 90 Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 4vhb s VAL 90 CO 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 175.10 175.02 4vhb s ALA 91 N 0.44 2.78 0.34 5.51 0.00 -1.26 -4.80 121.76 124.76 4vhb s ALA 91 Ca 0.61 -1.74 0.07 0.00 0.00 0.00 0.00 51.96 50.91 4vhb s ALA 91 Cb -0.40 -0.41 0.76 0.00 0.00 0.00 0.00 23.12 23.08 4vhb s ALA 91 CO 0.37 0.34 1.86 0.00 0.00 0.00 0.00 175.76 178.32 4vhb h ALA 92 N 2.52 1.76 0.00 0.00 0.00 -1.95 0.11 119.26 121.70 4vhb h ALA 92 Ca -0.43 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 4vhb h ALA 92 Cb 1.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 4vhb h ALA 92 CO 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.80 4vhb h ALA 93 N 1.59 1.00 -0.05 0.00 0.00 -2.02 -2.40 119.26 117.39 4vhb h ALA 93 Ca 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.27 4vhb h ALA 93 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 4vhb h ALA 93 CO -0.23 0.00 -0.49 0.45 0.00 0.00 0.00 179.25 178.98 4vhb h HIS 94 N 0.00 0.14 -0.65 0.00 -0.00 -1.37 -3.36 115.15 109.91 4vhb h HIS 94 Ca 0.00 -0.04 0.11 0.00 -0.00 0.00 0.00 60.37 60.44 4vhb h HIS 94 Cb 0.47 -0.03 -0.08 0.00 -0.00 0.00 0.00 27.41 27.77 4vhb h HIS 94 CO 0.00 0.58 0.23 1.88 -0.00 0.00 0.00 177.93 180.62 4vhb h TYR 95 N 0.09 0.39 0.00 2.45 -1.99 -1.51 -1.51 116.97 114.89 4vhb h TYR 95 Ca 0.00 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 4vhb h TYR 95 Cb 0.90 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.55 4vhb h TYR 95 CO 0.01 0.07 -0.21 -1.35 -0.00 0.00 0.00 178.16 176.67 4vhb h PRO 96 N 0.39 0.00 -0.10 4.88 0.11 -1.76 0.38 132.00 135.91 4vhb h PRO 96 Ca 0.34 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.38 4vhb h PRO 96 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 4vhb h PRO 96 CO -0.35 0.21 -0.19 0.82 -0.21 0.00 0.00 178.00 178.27 4vhb h ILE 97 N 0.00 1.40 -0.78 4.15 2.04 -1.50 -0.12 117.51 122.70 4vhb h ILE 97 Ca -0.00 -1.49 -0.04 0.00 1.00 0.00 0.00 64.86 64.33 4vhb h ILE 97 Cb 0.38 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 4vhb h ILE 97 CO 0.03 0.43 0.32 0.58 0.00 0.00 0.00 178.15 179.51 4vhb h VAL 98 N -0.15 1.25 -0.71 1.67 2.07 -0.93 -2.37 116.25 117.08 4vhb h VAL 98 Ca 0.00 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.78 4vhb h VAL 98 Cb 0.78 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 4vhb h VAL 98 CO 0.04 0.32 0.45 1.23 0.02 0.00 0.00 177.57 179.63 4vhb h GLY 99 N 1.15 1.03 0.96 2.17 0.00 -0.72 0.20 103.07 107.86 4vhb h GLY 99 Ca 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 4vhb h GLY 99 CO -0.02 0.28 0.20 1.46 0.00 0.00 0.00 176.54 178.46 4vhb h GLN 100 N 0.87 0.57 0.00 4.80 4.20 -0.54 -0.84 115.11 124.17 4vhb h GLN 100 Ca 0.29 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 4vhb h GLN 100 Cb 0.03 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 4vhb h GLN 100 CO -0.12 0.49 -0.64 0.93 -0.67 0.00 0.00 178.83 178.82 4vhb h GLU 101 N 0.51 0.00 0.05 1.46 4.39 -1.00 -1.67 114.58 118.32 4vhb h GLU 101 Ca 0.14 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 4vhb h GLU 101 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 4vhb h GLU 101 CO -0.02 0.64 -0.02 1.25 -1.16 0.00 0.00 179.01 179.70 4vhb h LEU 102 N 0.00 -0.05 -1.06 1.33 5.85 -0.74 -2.48 115.31 118.15 4vhb h LEU 102 Ca -0.01 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.49 4vhb h LEU 102 Cb 1.15 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 4vhb h LEU 102 CO 0.08 0.28 0.62 -0.07 -0.34 0.00 0.00 178.44 179.02 4vhb h LEU 103 N -0.40 0.96 -0.76 2.25 -0.00 -1.13 -0.85 115.31 115.37 4vhb h LEU 103 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 4vhb h LEU 103 Cb 0.36 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.80 4vhb h LEU 103 CO 0.01 0.58 0.49 1.23 -0.00 0.00 0.00 178.44 180.76 4vhb h GLY 104 N 1.07 1.08 0.94 0.83 0.00 -1.18 -0.32 103.07 105.49 4vhb h GLY 104 Ca 0.44 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 4vhb h GLY 104 CO -0.19 0.40 0.15 0.00 0.00 0.00 0.00 176.54 176.91 4vhb h ALA 105 N 1.27 0.50 -0.69 3.60 0.00 -0.81 -0.68 119.26 122.46 4vhb h ALA 105 Ca 0.28 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.11 4vhb h ALA 105 Cb -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 4vhb h ALA 105 CO -0.06 0.11 0.45 0.82 0.00 0.00 0.00 179.25 180.58 4vhb h ILE 106 N 0.48 1.02 0.01 0.00 2.04 -0.91 -1.01 117.51 119.14 4vhb h ILE 106 Ca 0.13 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 4vhb h ILE 106 Cb 0.19 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 4vhb h ILE 106 CO -0.01 0.13 -0.01 0.50 0.00 0.00 0.00 178.15 178.76 4vhb h LYS 107 N 0.71 -0.01 -0.55 2.37 3.64 -0.61 0.13 116.57 122.24 4vhb h LYS 107 Ca 0.30 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.69 4vhb h LYS 107 Cb 0.26 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 4vhb h LYS 107 CO -0.10 0.40 0.36 0.93 -2.27 0.00 0.00 179.45 178.78 4vhb h GLU 108 N -0.43 0.72 -0.50 1.90 5.08 -0.83 -2.71 114.58 117.80 4vhb h GLU 108 Ca -0.00 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 4vhb h GLU 108 Cb 0.42 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 4vhb h GLU 108 CO 0.00 0.47 -0.11 0.28 -1.00 0.00 0.00 179.01 178.66 4vhb h VAL 109 N 0.74 1.26 0.00 3.13 2.07 -1.04 -2.46 116.25 119.95 4vhb h VAL 109 Ca 0.21 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 4vhb h VAL 109 Cb -0.07 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 4vhb h VAL 109 CO -0.05 0.43 -0.06 -0.07 0.02 0.00 0.00 177.57 177.84 4vhb h LEU 110 N 0.83 0.00 0.00 2.57 3.38 -0.57 -3.47 115.31 118.05 4vhb h LEU 110 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 4vhb h LEU 110 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 4vhb h LEU 110 CO 0.04 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.24 4vhb n GLY 111 N 0.18 3.53 0.00 0.83 0.00 -0.93 -1.45 105.19 107.36 4vhb n GLY 111 Ca 0.01 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 4vhb n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 4vhb n ASP 112 N 5.03 0.02 0.01 1.61 8.00 -1.26 -0.89 116.55 129.07 4vhb n ASP 112 Ca 0.00 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.13 4vhb n ASP 112 Cb 0.00 -0.51 0.29 0.00 -0.02 0.00 0.00 41.12 40.88 4vhb n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4vhb n ALA 113 N -1.51 3.24 -0.42 2.24 0.00 -0.53 -4.64 120.51 118.88 4vhb n ALA 113 Ca 0.02 -0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.10 4vhb n ALA 113 Cb 0.10 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 4vhb n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4vhb n ALA 114 N -1.56 3.24 -1.69 0.00 0.00 -0.07 -4.92 120.51 115.51 4vhb n ALA 114 Ca 0.05 -0.87 -0.39 0.00 0.00 0.00 0.00 53.44 52.23 4vhb n ALA 114 Cb 0.36 -2.40 0.04 0.00 0.00 0.00 0.00 19.45 17.44 4vhb n ALA 114 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 4vhb n THR 115 N 3.16 3.47 -0.34 0.00 -2.24 -1.26 -4.73 114.28 112.34 4vhb n THR 115 Ca 0.20 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.45 4vhb n THR 115 Cb 0.30 -1.45 0.09 0.00 -2.10 0.00 0.00 70.33 67.18 4vhb n THR 115 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 4vhb h ASP 116 N 1.27 1.07 -0.42 3.42 3.32 -1.97 0.70 116.42 123.80 4vhb h ASP 116 Ca -0.49 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.49 4vhb h ASP 116 Cb 1.32 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 4vhb h ASP 116 CO 0.56 0.80 0.19 0.44 -1.72 0.00 0.00 179.24 179.50 4vhb h ASP 117 N 1.24 0.61 0.05 6.45 5.19 -1.98 0.98 116.42 128.96 4vhb h ASP 117 Ca 0.33 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.67 4vhb h ASP 117 Cb -0.10 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.26 4vhb h ASP 117 CO -0.07 0.55 -0.02 0.40 -3.12 0.00 0.00 179.24 176.98 4vhb h ILE 118 N 0.67 1.27 -0.83 0.35 2.04 -1.27 0.94 117.51 120.67 4vhb h ILE 118 Ca 0.16 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 64.98 4vhb h ILE 118 Cb 0.14 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 4vhb h ILE 118 CO -0.02 0.27 0.53 -0.07 0.00 0.00 0.00 178.15 178.86 4vhb h LEU 119 N -0.55 0.85 -0.93 1.44 3.38 0.67 0.43 115.31 120.60 4vhb h LEU 119 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 4vhb h LEU 119 Cb 0.49 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 4vhb h LEU 119 CO 0.01 0.57 -0.11 0.44 0.09 0.00 0.00 178.44 179.44 4vhb h ASP 120 N 1.00 0.65 -0.02 -0.43 5.19 0.11 -0.62 116.42 122.29 4vhb h ASP 120 Ca 0.35 -0.18 -0.09 0.00 -0.62 0.00 0.00 57.03 56.48 4vhb h ASP 120 Cb 0.08 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 4vhb h ASP 120 CO -0.14 0.79 -0.26 0.00 -3.12 0.00 0.00 179.24 176.51 4vhb h ALA 121 N 1.27 1.12 -0.29 3.45 0.00 0.81 -1.97 119.26 123.66 4vhb h ALA 121 Ca 0.11 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 4vhb h ALA 121 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 4vhb h ALA 121 CO 0.03 0.55 -0.28 -1.49 0.00 0.00 0.00 179.25 178.07 4vhb h TRP 122 N 0.39 0.67 -0.38 0.00 4.06 -0.24 -0.80 115.95 119.65 4vhb h TRP 122 Ca 0.06 -0.16 -0.00 0.00 2.06 0.00 0.00 58.89 60.85 4vhb h TRP 122 Cb 0.67 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.65 4vhb h TRP 122 CO 0.02 0.80 0.23 0.78 -3.56 0.00 0.00 178.44 176.72 4vhb h GLY 123 N 1.02 0.56 1.14 1.49 0.00 -0.74 -0.52 103.07 106.00 4vhb h GLY 123 Ca 0.07 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 4vhb h GLY 123 CO 0.06 0.22 0.15 0.50 0.00 0.00 0.00 176.54 177.47 4vhb h LYS 124 N 0.51 1.07 -0.37 4.80 1.57 -0.97 -1.92 116.57 121.25 4vhb h LYS 124 Ca 0.14 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 4vhb h LYS 124 Cb -0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 4vhb h LYS 124 CO -0.03 0.95 -0.01 0.00 -0.57 0.00 0.00 179.45 179.80 4vhb h ALA 125 N 1.14 0.50 -0.69 3.86 0.00 -0.71 -2.25 119.26 121.12 4vhb h ALA 125 Ca 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 4vhb h ALA 125 Cb 0.38 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 4vhb h ALA 125 CO 0.00 0.28 0.42 -0.92 0.00 0.00 0.00 179.25 179.03 4vhb h TYR 126 N 0.48 0.90 -0.11 0.00 3.20 -0.82 -0.71 116.97 119.91 4vhb h TYR 126 Ca 0.10 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.02 4vhb h TYR 126 Cb 0.48 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 4vhb h TYR 126 CO 0.04 0.61 -0.28 0.78 -1.64 0.00 0.00 178.16 177.66 4vhb h GLY 127 N 0.93 -0.37 0.67 1.82 0.00 -1.14 0.88 103.07 105.86 4vhb h GLY 127 Ca 0.25 0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.99 4vhb h GLY 127 CO -0.05 -0.21 0.48 -2.08 0.00 0.00 0.00 176.54 174.68 4vhb h VAL 128 N -0.37 0.99 -0.24 4.60 2.07 -1.09 0.69 116.25 122.91 4vhb h VAL 128 Ca 0.09 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 4vhb h VAL 128 Cb 0.51 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 4vhb h VAL 128 CO -0.32 0.16 -0.13 0.40 0.02 0.00 0.00 177.57 177.70 4vhb h ILE 129 N 0.86 1.31 -0.94 4.57 2.04 -0.07 -2.88 117.51 122.40 4vhb h ILE 129 Ca 0.36 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 65.03 4vhb h ILE 129 Cb 0.22 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 4vhb h ILE 129 CO -0.19 0.38 0.62 0.00 0.00 0.00 0.00 178.15 178.95 4vhb h ALA 130 N 0.71 1.38 -0.80 1.87 0.00 0.19 -1.79 119.26 120.83 4vhb h ALA 130 Ca 0.05 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.05 4vhb h ALA 130 Cb 0.64 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 4vhb h ALA 130 CO 0.04 0.53 0.52 -0.44 0.00 0.00 0.00 179.25 179.91 4vhb h ASP 131 N 1.20 0.49 -0.17 0.00 3.32 0.56 0.67 116.42 122.49 4vhb h ASP 131 Ca 0.37 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.39 4vhb h ASP 131 Cb -0.02 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 4vhb h ASP 131 CO -0.11 0.26 -0.12 0.58 -1.72 0.00 0.00 179.24 178.13 4vhb h VAL 132 N 0.52 1.32 -0.48 -1.35 2.07 -1.22 -2.22 116.25 114.90 4vhb h VAL 132 Ca 0.39 -1.22 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 4vhb h VAL 132 Cb 0.77 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 4vhb h VAL 132 CO -0.15 0.36 -0.08 -0.26 0.02 0.00 0.00 177.57 177.47 4vhb h PHE 133 N 0.05 1.01 -0.42 1.57 -1.00 -1.06 -1.93 116.94 115.15 4vhb h PHE 133 Ca 0.03 -0.20 0.06 0.00 2.81 0.00 0.00 57.97 60.67 4vhb h PHE 133 Cb 0.62 -0.25 -0.05 0.00 3.61 0.00 0.00 35.95 39.88 4vhb h PHE 133 CO 0.07 0.97 0.12 0.82 -1.61 0.00 0.00 178.31 178.68 4vhb h ILE 134 N 0.75 0.82 -0.31 -0.55 2.04 -0.91 0.28 117.51 119.63 4vhb h ILE 134 Ca 0.13 -0.09 -0.12 0.00 1.00 0.00 0.00 64.86 65.78 4vhb h ILE 134 Cb 0.62 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 4vhb h ILE 134 CO 0.04 0.05 -0.26 1.56 0.00 0.00 0.00 178.15 179.54 4vhb h GLN 135 N 0.26 0.73 -0.60 2.37 1.08 -1.39 -0.92 115.11 116.63 4vhb h GLN 135 Ca 0.20 -0.37 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 4vhb h GLN 135 Cb 0.22 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 4vhb h GLN 135 CO -0.24 0.98 0.36 0.28 -0.95 0.00 0.00 178.83 179.27 4vhb h VAL 136 N 0.49 1.18 -0.30 -0.54 2.07 -1.00 -1.58 116.25 116.57 4vhb h VAL 136 Ca 0.06 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 4vhb h VAL 136 Cb 0.83 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 4vhb h VAL 136 CO 0.07 0.19 -0.24 -0.33 0.02 0.00 0.00 177.57 177.27 4vhb h GLU 137 N 0.82 0.58 -0.20 1.57 5.08 -0.86 -0.65 114.58 120.92 4vhb h GLU 137 Ca 0.22 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 4vhb h GLU 137 Cb -0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 4vhb h GLU 137 CO -0.04 0.78 0.12 0.00 -1.00 0.00 0.00 179.01 178.87 4vhb h ALA 138 N 1.23 0.25 -0.87 3.43 0.00 -0.80 0.20 119.26 122.70 4vhb h ALA 138 Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 4vhb h ALA 138 Cb 0.69 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 4vhb h ALA 138 CO 0.05 -0.29 0.57 -0.44 0.00 0.00 0.00 179.25 179.14 4vhb h ASP 139 N 0.25 0.97 -0.33 0.00 3.32 -1.18 -1.21 116.42 118.25 4vhb h ASP 139 Ca 0.08 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 4vhb h ASP 139 Cb -0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 4vhb h ASP 139 CO -0.03 0.70 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.85 4vhb h LEU 140 N 1.15 0.86 -0.70 1.55 3.38 -0.48 -0.09 115.31 120.98 4vhb h LEU 140 Ca 0.33 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.98 4vhb h LEU 140 Cb -0.10 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 4vhb h LEU 140 CO -0.08 1.07 0.46 1.88 0.09 0.00 0.00 178.44 181.86 4vhb h TYR 141 N 0.72 0.87 -0.69 1.13 0.05 -0.28 -1.46 116.97 117.31 4vhb h TYR 141 Ca 0.09 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 4vhb h TYR 141 Cb 0.80 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 4vhb h TYR 141 CO 0.04 0.54 0.17 0.00 -1.05 0.00 0.00 178.16 177.87 4vhb h ALA 142 N 1.26 1.00 -0.10 3.88 0.00 -0.94 -1.58 119.26 122.79 4vhb h ALA 142 Ca 0.26 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 4vhb h ALA 142 Cb -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 4vhb h ALA 142 CO -0.06 0.65 -0.13 1.96 0.00 0.00 0.00 179.25 181.67 4vhb h GLN 143 N 1.03 0.15 0.00 0.00 4.20 -0.54 -1.96 115.11 117.99 4vhb h GLN 143 Ca 0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 4vhb h GLN 143 Cb 0.35 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 4vhb h GLN 143 CO 0.00 0.28 -0.04 0.00 -0.67 0.00 0.00 178.83 178.40 4vhb h ALA 144 N 1.74 1.27 -0.02 3.87 0.00 -0.23 -3.51 119.26 122.38 4vhb h ALA 144 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 4vhb h ALA 144 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 4vhb h ALA 144 CO 0.02 0.05 0.00 1.33 0.00 0.00 0.00 179.25 180.65