#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhb s ASP 3 N 0.00 4.46 0.29 -1.43 -4.77 -1.26 -4.83 116.67 109.13 2vhb s ASP 3 Ca 0.00 1.27 -0.02 0.00 -3.30 0.00 0.00 52.55 50.50 2vhb s ASP 3 Cb 0.00 -2.00 0.44 0.00 -1.09 0.00 0.00 42.92 40.27 2vhb s ASP 3 CO 0.00 -1.99 1.95 -0.61 0.70 0.00 0.00 175.17 175.22 2vhb h GLN 4 N -1.10 1.10 -0.57 2.11 5.75 -2.05 -1.24 115.11 119.11 2vhb h GLN 4 Ca -0.47 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 57.92 2vhb h GLN 4 Cb 1.27 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 29.55 2vhb h GLN 4 CO 0.60 0.73 0.18 0.37 -2.65 0.00 0.00 178.83 178.06 2vhb h GLN 5 N 1.14 0.85 0.23 1.69 5.75 -1.98 0.37 115.11 123.15 2vhb h GLN 5 Ca 0.34 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 2vhb h GLN 5 Cb -0.05 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.37 2vhb h GLN 5 CO -0.09 0.73 -0.11 1.15 -2.65 0.00 0.00 178.83 177.86 2vhb h THR 6 N 0.83 0.84 -0.89 2.39 2.02 -1.87 0.15 112.91 116.36 2vhb h THR 6 Ca 0.19 -0.38 0.06 0.00 0.77 0.00 0.00 66.41 67.05 2vhb h THR 6 Cb 0.23 1.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 2vhb h THR 6 CO -0.01 0.09 0.56 0.40 0.37 0.00 0.00 175.52 176.93 2vhb h ILE 7 N -0.50 1.05 -0.58 3.11 2.04 -0.38 -0.20 117.51 122.05 2vhb h ILE 7 Ca -0.03 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2vhb h ILE 7 Cb 0.37 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 2vhb h ILE 7 CO 0.05 0.19 0.27 0.78 0.00 0.00 0.00 178.15 179.44 2vhb h ASN 8 N 1.02 0.77 -0.80 1.72 -0.26 -0.06 0.20 115.58 118.18 2vhb h ASN 8 Ca 0.39 -0.14 -0.02 0.00 -0.56 0.00 0.00 56.30 55.97 2vhb h ASN 8 Cb 0.17 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 37.19 2vhb h ASN 8 CO -0.17 0.70 0.43 0.40 -1.06 0.00 0.00 177.43 177.72 2vhb h ILE 9 N 0.80 1.24 -0.02 2.81 2.04 0.15 -0.91 117.51 123.62 2vhb h ILE 9 Ca 0.20 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 2vhb h ILE 9 Cb 0.14 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2vhb h ILE 9 CO -0.02 0.27 -0.00 0.40 0.00 0.00 0.00 178.15 178.79 2vhb h ILE 10 N 1.11 1.26 -0.60 -0.67 1.08 0.27 -1.25 117.51 118.70 2vhb h ILE 10 Ca 0.28 -0.76 0.01 0.00 -0.39 0.00 0.00 64.86 63.99 2vhb h ILE 10 Cb 0.04 1.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.50 2vhb h ILE 10 CO -0.04 0.20 0.40 0.11 -0.69 0.00 0.00 178.15 178.12 2vhb h LYS 11 N -0.28 0.79 -0.22 2.37 1.57 -0.47 -1.75 116.57 118.59 2vhb h LYS 11 Ca 0.00 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 2vhb h LYS 11 Cb 0.33 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 2vhb h LYS 11 CO 0.00 0.52 -0.55 0.00 -0.57 0.00 0.00 179.45 178.85 2vhb h ALA 12 N 1.63 0.62 0.00 3.86 0.00 -0.92 -3.35 119.26 121.10 2vhb h ALA 12 Ca 0.22 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2vhb h ALA 12 Cb -0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2vhb h ALA 12 CO -0.05 0.69 -1.10 0.25 0.00 0.00 0.00 179.25 179.04 2vhb n THR 13 N -3.97 0.58 -0.33 0.00 -2.24 -0.50 -4.38 114.28 103.44 2vhb n THR 13 Ca -0.04 -0.55 0.10 0.00 -2.27 0.00 0.00 64.05 61.30 2vhb n THR 13 Cb 0.62 -0.32 0.28 0.00 -2.10 0.00 0.00 70.33 68.80 2vhb n THR 13 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2vhb h VAL 14 N 0.00 0.74 -0.54 2.28 2.07 -1.46 -1.49 116.25 117.85 2vhb h VAL 14 Ca -0.00 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2vhb h VAL 14 Cb 1.01 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2vhb h VAL 14 CO 0.00 0.13 0.20 -0.65 0.02 0.00 0.00 177.57 177.28 2vhb h PRO 15 N 0.74 0.78 -0.01 1.57 0.11 -1.80 0.33 132.00 133.72 2vhb h PRO 15 Ca 0.53 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 66.52 2vhb h PRO 15 Cb 0.76 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 2vhb h PRO 15 CO -0.36 0.65 0.00 0.28 -0.21 0.00 0.00 178.00 178.36 2vhb h VAL 16 N 0.77 1.15 -0.54 3.15 2.07 -1.55 -1.19 116.25 120.11 2vhb h VAL 16 Ca 0.18 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.30 2vhb h VAL 16 Cb 0.17 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 2vhb h VAL 16 CO -0.02 0.12 0.28 -0.07 0.02 0.00 0.00 177.57 177.90 2vhb h LEU 17 N -0.18 0.41 -1.02 2.57 3.38 -0.74 -0.46 115.31 119.27 2vhb h LEU 17 Ca 0.00 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2vhb h LEU 17 Cb 0.19 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2vhb h LEU 17 CO -0.00 0.28 0.66 0.11 0.09 0.00 0.00 178.44 179.58 2vhb h LYS 18 N 0.54 1.23 -0.22 1.13 1.57 -0.20 -0.12 116.57 120.50 2vhb h LYS 18 Ca 0.24 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2vhb h LYS 18 Cb 0.14 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2vhb h LYS 18 CO -0.16 0.81 -0.13 0.93 -0.57 0.00 0.00 179.45 180.34 2vhb h GLU 19 N 1.27 0.37 -0.51 3.15 5.08 -0.44 -1.14 114.58 122.36 2vhb h GLU 19 Ca 0.40 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2vhb h GLU 19 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2vhb h GLU 19 CO -0.13 0.50 0.00 0.72 -1.00 0.00 0.00 179.01 179.10 2vhb n HIS 20 N -4.24 0.57 -0.37 4.33 8.25 -0.25 -4.69 115.22 118.82 2vhb n HIS 20 Ca 0.00 -0.23 -0.01 0.00 -0.26 0.00 0.00 57.72 57.22 2vhb n HIS 20 Cb 0.30 -0.11 0.04 0.00 1.12 0.00 0.00 29.99 31.34 2vhb n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2vhb n GLY 21 N 0.68 -1.95 0.26 -1.41 0.00 -0.20 -0.85 105.19 101.73 2vhb n GLY 21 Ca 0.10 1.07 0.05 0.00 0.00 0.00 0.00 46.02 47.24 2vhb n GLY 21 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2vhb h VAL 22 N 0.00 1.10 -0.02 1.61 3.04 -1.84 0.12 116.25 120.26 2vhb h VAL 22 Ca 0.34 -0.39 -0.07 0.00 -1.01 0.00 0.00 66.70 65.57 2vhb h VAL 22 Cb 0.58 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 2vhb h VAL 22 CO -0.95 0.13 -0.25 0.74 -1.01 0.00 0.00 177.57 176.23 2vhb h THR 23 N 0.22 1.50 -0.34 3.17 2.02 -1.37 -1.89 112.91 116.21 2vhb h THR 23 Ca 0.05 -1.82 0.01 0.00 0.77 0.00 0.00 66.41 65.43 2vhb h THR 23 Cb 0.15 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.13 2vhb h THR 23 CO 0.00 0.50 0.21 0.40 0.37 0.00 0.00 175.52 177.01 2vhb h ILE 24 N -0.39 1.06 0.26 3.11 2.04 -0.92 -1.19 117.51 121.48 2vhb h ILE 24 Ca -0.02 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2vhb h ILE 24 Cb 0.95 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2vhb h ILE 24 CO 0.05 0.08 -0.27 0.74 0.00 0.00 0.00 178.15 178.74 2vhb h THR 25 N 0.43 0.42 -0.56 -0.27 2.02 -0.70 -0.15 112.91 114.09 2vhb h THR 25 Ca 0.13 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.24 2vhb h THR 25 Cb -0.02 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2vhb h THR 25 CO -0.05 0.00 0.07 0.71 0.37 0.00 0.00 175.52 176.63 2vhb h THR 26 N -0.57 1.24 -0.46 3.16 1.35 -1.29 -1.87 112.91 114.48 2vhb h THR 26 Ca -0.01 -0.96 -0.14 0.00 -0.55 0.00 0.00 66.41 64.76 2vhb h THR 26 Cb 0.53 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 2vhb h THR 26 CO -0.07 0.35 -0.26 0.74 -0.25 0.00 0.00 175.52 176.04 2vhb h THR 27 N 0.85 1.27 0.26 6.82 2.02 -1.10 -0.68 112.91 122.35 2vhb h THR 27 Ca 0.17 -1.43 -0.00 0.00 0.77 0.00 0.00 66.41 65.92 2vhb h THR 27 Cb 0.40 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2vhb h THR 27 CO 0.01 0.49 -0.20 0.15 0.37 0.00 0.00 175.52 176.34 2vhb h PHE 28 N 0.83 -0.52 -0.34 3.16 3.57 -0.80 -0.60 116.94 122.25 2vhb h PHE 28 Ca 0.10 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.49 2vhb h PHE 28 Cb 0.84 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 2vhb h PHE 28 CO 0.06 -0.30 -0.24 1.88 -2.23 0.00 0.00 178.31 177.48 2vhb h TYR 29 N -0.46 0.75 0.42 0.41 0.05 -1.33 0.04 116.97 116.85 2vhb h TYR 29 Ca -0.02 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.59 2vhb h TYR 29 Cb 0.41 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 2vhb h TYR 29 CO -0.12 0.84 -0.43 -0.22 -1.05 0.00 0.00 178.16 177.18 2vhb h LYS 30 N 0.58 -0.84 -0.01 4.88 3.64 -0.97 -2.27 116.57 121.58 2vhb h LYS 30 Ca 0.08 0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 2vhb h LYS 30 Cb 0.72 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2vhb h LYS 30 CO 0.06 -0.56 -0.49 -0.91 -2.27 0.00 0.00 179.45 175.28 2vhb h ASN 31 N -0.87 0.02 0.31 4.20 2.35 -0.91 -2.47 115.58 118.22 2vhb h ASN 31 Ca -0.04 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2vhb h ASN 31 Cb 0.77 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 2vhb h ASN 31 CO -0.07 0.51 -0.21 0.25 -1.65 0.00 0.00 177.43 176.26 2vhb h LEU 32 N 0.02 -0.52 -0.58 1.61 5.85 -0.84 -0.51 115.31 120.35 2vhb h LEU 32 Ca -0.00 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.60 2vhb h LEU 32 Cb 0.87 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2vhb h LEU 32 CO 0.06 -0.33 -0.70 -0.26 -0.34 0.00 0.00 178.44 176.88 2vhb h PHE 33 N -0.51 0.00 -0.15 1.25 0.04 -1.41 -1.36 116.94 114.80 2vhb h PHE 33 Ca -0.03 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.63 2vhb h PHE 33 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 2vhb h PHE 33 CO -0.10 0.70 -0.36 0.00 -0.60 0.00 0.00 178.31 177.95 2vhb h ALA 34 N 1.30 0.24 0.00 2.45 0.00 -1.39 -3.06 119.26 118.81 2vhb h ALA 34 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2vhb h ALA 34 Cb 1.25 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2vhb h ALA 34 CO 0.09 0.31 -0.30 0.87 0.00 0.00 0.00 179.25 180.22 2vhb h LYS 35 N 0.13 0.00 -1.88 0.00 1.57 -1.13 -3.39 116.57 111.86 2vhb h LYS 35 Ca -0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 2vhb h LYS 35 Cb 0.97 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.88 2vhb h LYS 35 CO 0.08 0.05 -1.17 0.72 -0.57 0.00 0.00 179.45 178.56 2vhb n HIS 36 N -3.01 0.52 -0.12 -1.35 8.25 -0.51 -4.95 115.22 114.05 2vhb n HIS 36 Ca 0.03 -3.69 0.27 0.00 -0.26 0.00 0.00 57.72 54.07 2vhb n HIS 36 Cb 0.56 -0.42 0.71 0.00 1.12 0.00 0.00 29.99 31.97 2vhb n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2vhb h PRO 37 N 3.00 0.00 -0.02 -0.41 0.11 -1.74 -1.46 132.00 131.47 2vhb h PRO 37 Ca 0.08 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.19 2vhb h PRO 37 Cb 0.97 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2vhb h PRO 37 CO 0.52 0.00 0.05 1.05 -0.21 0.00 0.00 178.00 179.41 2vhb h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -1.41 114.58 121.39 2vhb h GLU 38 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.79 2vhb h GLU 38 Cb 1.73 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.83 2vhb h GLU 38 CO -0.00 0.00 -0.82 1.33 0.05 0.00 0.00 179.01 179.57 2vhb n VAL 39 N -3.42 0.21 -0.25 -1.06 0.24 -0.55 -4.40 118.33 109.10 2vhb n VAL 39 Ca -0.02 -0.22 0.06 0.00 -2.04 0.00 0.00 64.34 62.12 2vhb n VAL 39 Cb 0.13 0.11 0.18 0.00 -1.47 0.00 0.00 33.84 32.79 2vhb n VAL 39 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2vhb h ARG 40 N 0.00 0.22 -0.50 7.34 3.08 -1.37 -0.61 114.38 122.53 2vhb h ARG 40 Ca 0.00 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.11 2vhb h ARG 40 Cb 0.70 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 2vhb h ARG 40 CO 0.00 0.14 0.34 -1.35 -1.07 0.00 0.00 179.97 178.03 2vhb h PRO 41 N 0.22 0.36 -0.50 0.04 0.11 -1.77 -2.11 132.00 128.35 2vhb h PRO 41 Ca 0.42 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 2vhb h PRO 41 Cb 0.74 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 2vhb h PRO 41 CO -0.55 0.24 0.26 -0.07 -0.21 0.00 0.00 178.00 177.66 2vhb h LEU 42 N 0.37 0.62 0.00 2.35 3.38 -1.39 -3.54 115.31 117.10 2vhb h LEU 42 Ca 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2vhb h LEU 42 Cb 0.41 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2vhb h LEU 42 CO -0.06 0.52 0.00 0.49 0.09 0.00 0.00 178.44 179.48 2vhb n PHE 43 N -4.39 0.00 -0.60 1.13 3.01 -0.80 -4.97 117.46 110.84 2vhb n PHE 43 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 2vhb n PHE 43 Cb 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 2vhb n PHE 43 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2vhb n GLU 52 N 0.00 -0.92 -3.60 -1.08 2.13 -1.26 -5.09 120.64 110.81 2vhb n GLU 52 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 2vhb n GLU 52 Cb 0.00 -0.69 -0.03 0.00 0.27 0.00 0.00 31.44 30.99 2vhb n GLU 52 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2vhb s GLN 53 N -0.64 3.54 0.54 5.31 -1.52 -1.26 -5.08 119.66 120.55 2vhb s GLN 53 Ca 0.00 -0.29 -0.18 0.00 -1.95 0.00 0.00 55.36 52.94 2vhb s GLN 53 Cb 0.00 -2.78 -0.06 0.00 -0.22 0.00 0.00 33.01 29.95 2vhb s GLN 53 CO 0.00 0.34 1.06 -1.25 -0.25 0.00 0.00 175.29 175.19 2vhb s PRO 54 N -3.50 3.50 0.00 2.91 0.04 -1.26 -4.95 135.00 131.74 2vhb s PRO 54 Ca 0.39 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2vhb s PRO 54 Cb -0.11 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2vhb s PRO 54 CO 0.30 -0.68 0.00 1.63 0.04 0.00 0.00 177.00 178.29 2vhb n LYS 55 N -1.50 1.12 0.15 4.56 4.76 -1.26 -4.97 118.16 121.02 2vhb n LYS 55 Ca 0.09 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.66 2vhb n LYS 55 Cb 0.52 -0.09 0.24 0.00 -1.84 0.00 0.00 35.03 33.86 2vhb n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2vhb h ALA 56 N 0.00 0.90 0.18 7.82 0.00 -2.00 -3.41 119.26 122.75 2vhb h ALA 56 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2vhb h ALA 56 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2vhb h ALA 56 CO 0.00 0.00 -0.52 1.25 0.00 0.00 0.00 179.25 179.98 2vhb h LEU 57 N 0.00 -1.55 -0.87 0.00 7.12 -1.99 -0.90 115.31 117.12 2vhb h LEU 57 Ca 0.00 0.16 -0.08 0.00 0.13 0.00 0.00 57.88 58.09 2vhb h LEU 57 Cb 0.87 0.56 -0.02 0.00 -0.53 0.00 0.00 40.66 41.55 2vhb h LEU 57 CO 0.00 -0.58 -0.02 0.00 -0.13 0.00 0.00 178.44 177.71 2vhb h ALA 58 N -0.57 1.06 -0.10 1.25 0.00 -1.95 -1.16 119.26 117.79 2vhb h ALA 58 Ca -0.01 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 2vhb h ALA 58 Cb 0.78 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2vhb h ALA 58 CO -0.25 0.59 -0.53 0.52 0.00 0.00 0.00 179.25 179.57 2vhb h MET 59 N 0.75 0.29 -0.44 0.00 2.86 -1.81 -1.52 114.93 115.05 2vhb h MET 59 Ca 0.14 -0.17 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 2vhb h MET 59 Cb 0.49 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2vhb h MET 59 CO 0.02 0.75 -0.28 1.15 1.06 0.00 0.00 176.91 179.61 2vhb h THR 60 N 0.22 1.27 -0.52 2.22 2.02 -0.87 -1.20 112.91 116.05 2vhb h THR 60 Ca 0.00 -1.45 -0.05 0.00 0.77 0.00 0.00 66.41 65.68 2vhb h THR 60 Cb 1.01 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 2vhb h THR 60 CO 0.09 0.50 0.12 0.58 0.37 0.00 0.00 175.52 177.17 2vhb h VAL 61 N 0.82 1.22 -0.48 3.16 2.07 -0.74 -0.30 116.25 122.01 2vhb h VAL 61 Ca 0.09 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.70 2vhb h VAL 61 Cb 0.87 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2vhb h VAL 61 CO 0.08 0.30 -0.12 -0.07 0.02 0.00 0.00 177.57 177.77 2vhb h LEU 62 N 0.77 0.89 -0.52 2.57 3.38 -1.01 0.28 115.31 121.67 2vhb h LEU 62 Ca 0.17 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2vhb h LEU 62 Cb 0.30 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2vhb h LEU 62 CO -0.00 1.02 0.19 0.00 0.09 0.00 0.00 178.44 179.74 2vhb h ALA 63 N 1.06 0.67 -0.62 1.53 0.00 -0.81 0.52 119.26 121.62 2vhb h ALA 63 Ca 0.13 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2vhb h ALA 63 Cb 0.65 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2vhb h ALA 63 CO 0.05 0.30 0.13 0.00 0.00 0.00 0.00 179.25 179.73 2vhb h ALA 64 N 1.04 1.06 -0.16 0.00 0.00 -0.56 -2.53 119.26 118.13 2vhb h ALA 64 Ca 0.17 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2vhb h ALA 64 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2vhb h ALA 64 CO -0.01 0.61 -0.23 0.00 0.00 0.00 0.00 179.25 179.62 2vhb h ALA 65 N 1.21 1.33 0.00 0.00 0.00 0.39 -1.29 119.26 120.89 2vhb h ALA 65 Ca 0.19 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2vhb h ALA 65 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2vhb h ALA 65 CO 0.00 0.46 -0.23 1.96 0.00 0.00 0.00 179.25 181.44 2vhb h GLN 66 N 0.25 0.00 -0.64 0.00 4.20 -0.49 -1.60 115.11 116.83 2vhb h GLN 66 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2vhb h GLN 66 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2vhb h GLN 66 CO 0.04 0.23 0.00 0.09 -0.67 0.00 0.00 178.83 178.52 2vhb n ASN 67 N -3.79 4.40 0.14 1.46 4.13 -0.58 -4.68 115.26 116.34 2vhb n ASN 67 Ca -0.02 -2.53 0.17 0.00 1.68 0.00 0.00 54.58 53.88 2vhb n ASN 67 Cb 0.33 -0.58 0.74 0.00 -1.54 0.00 0.00 39.78 38.73 2vhb n ASN 67 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2vhb h ILE 68 N 3.37 0.66 0.00 2.41 6.09 -0.36 0.21 117.51 129.89 2vhb h ILE 68 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2vhb h ILE 68 Cb 1.44 0.83 0.00 0.00 0.47 0.00 0.00 36.82 39.56 2vhb h ILE 68 CO 0.28 0.00 0.00 -0.33 -3.07 0.00 0.00 178.15 175.03 2vhb h GLU 69 N 0.00 0.00 -1.61 2.19 5.08 -1.84 -3.35 114.58 115.04 2vhb h GLU 69 Ca 0.13 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 58.01 2vhb h GLU 69 Cb 0.60 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 29.52 2vhb h GLU 69 CO -0.00 0.00 -0.95 -1.71 -1.00 0.00 0.00 179.01 175.35 2vhb n ASN 70 N -2.53 -0.67 -0.10 1.42 4.05 0.04 -4.99 115.26 112.48 2vhb n ASN 70 Ca 0.05 -2.78 0.14 0.00 0.45 0.00 0.00 54.58 52.43 2vhb n ASN 70 Cb 0.44 -0.04 0.52 0.00 1.23 0.00 0.00 39.78 41.93 2vhb n ASN 70 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2vhb h LEU 71 N 4.25 0.34 -1.56 1.20 3.38 -1.66 -2.22 115.31 119.05 2vhb h LEU 71 Ca 0.05 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.22 2vhb h LEU 71 Cb 0.92 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 2vhb h LEU 71 CO 0.40 0.20 0.56 -0.65 0.09 0.00 0.00 178.44 179.04 2vhb h PRO 72 N 0.38 0.38 -0.28 1.13 0.11 -1.94 -1.17 132.00 130.61 2vhb h PRO 72 Ca 0.30 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.47 2vhb h PRO 72 Cb 0.67 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 2vhb h PRO 72 CO -0.08 0.25 0.26 0.00 -0.21 0.00 0.00 178.00 178.21 2vhb h ALA 73 N 1.62 2.03 -0.51 -0.75 0.00 -1.77 -1.58 119.26 118.29 2vhb h ALA 73 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2vhb h ALA 73 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2vhb h ALA 73 CO -0.15 -0.40 0.00 0.44 0.00 0.00 0.00 179.25 179.15 2vhb n ILE 74 N -4.00 1.49 -0.30 0.00 -5.35 -0.44 -4.60 119.36 106.15 2vhb n ILE 74 Ca 0.04 -1.20 0.10 0.00 -0.27 0.00 0.00 62.75 61.42 2vhb n ILE 74 Cb 0.41 0.26 0.27 0.00 -1.74 0.00 0.00 39.64 38.83 2vhb n ILE 74 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2vhb h LEU 75 N 3.11 0.44 -1.69 7.28 3.38 -1.31 -0.19 115.31 126.33 2vhb h LEU 75 Ca 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2vhb h LEU 75 Cb 1.14 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2vhb h LEU 75 CO 0.12 0.11 0.06 -0.65 0.09 0.00 0.00 178.44 178.17 2vhb h PRO 76 N 0.52 0.25 0.05 1.13 0.11 -1.82 0.38 132.00 132.63 2vhb h PRO 76 Ca 0.52 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.60 2vhb h PRO 76 Cb 0.87 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2vhb h PRO 76 CO -0.45 0.23 -0.02 0.00 -0.21 0.00 0.00 178.00 177.55 2vhb h ALA 77 N 1.81 -0.07 -0.66 -0.75 0.00 -1.44 -3.08 119.26 115.08 2vhb h ALA 77 Ca 0.07 -0.31 0.14 0.00 0.00 0.00 0.00 54.91 54.80 2vhb h ALA 77 Cb 0.08 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.78 2vhb h ALA 77 CO -0.01 -0.17 -0.07 0.28 0.00 0.00 0.00 179.25 179.28 2vhb h VAL 78 N -0.80 0.39 -0.64 0.00 2.07 -0.77 -0.41 116.25 116.09 2vhb h VAL 78 Ca -0.01 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.55 2vhb h VAL 78 Cb 0.65 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 2vhb h VAL 78 CO 0.01 0.01 0.34 0.50 0.02 0.00 0.00 177.57 178.45 2vhb h LYS 79 N 0.06 0.61 -0.21 1.57 1.63 -0.32 0.21 116.57 120.11 2vhb h LYS 79 Ca 0.34 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.93 2vhb h LYS 79 Cb 0.55 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 2vhb h LYS 79 CO -0.62 0.40 -0.55 -0.22 -3.45 0.00 0.00 179.45 175.01 2vhb h LYS 80 N 0.63 0.63 -0.31 1.90 1.63 -1.22 -2.61 116.57 117.21 2vhb h LYS 80 Ca 0.29 -0.40 -0.05 0.00 -0.85 0.00 0.00 60.65 59.65 2vhb h LYS 80 Cb 0.21 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 2vhb h LYS 80 CO -0.19 1.01 0.02 0.82 -3.45 0.00 0.00 179.45 177.66 2vhb h ILE 81 N 0.48 1.25 -0.90 2.00 2.04 -0.47 -2.81 117.51 119.10 2vhb h ILE 81 Ca 0.01 -0.90 0.17 0.00 1.00 0.00 0.00 64.86 65.14 2vhb h ILE 81 Cb 1.11 1.23 -0.10 0.00 -0.74 0.00 0.00 36.82 38.31 2vhb h ILE 81 CO 0.11 0.29 0.47 0.00 0.00 0.00 0.00 178.15 179.02 2vhb h ALA 82 N 0.86 1.41 -0.84 1.87 0.00 -0.53 0.34 119.26 122.36 2vhb h ALA 82 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2vhb h ALA 82 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2vhb h ALA 82 CO 0.01 -0.13 0.53 0.28 0.00 0.00 0.00 179.25 179.94 2vhb h VAL 83 N 0.61 1.23 -0.52 0.00 2.07 -1.22 0.12 116.25 118.53 2vhb h VAL 83 Ca 0.51 -0.46 -0.11 0.00 0.82 0.00 0.00 66.70 67.47 2vhb h VAL 83 Cb 0.80 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2vhb h VAL 83 CO -0.40 0.23 -0.10 0.11 0.02 0.00 0.00 177.57 177.43 2vhb h LYS 84 N 1.15 0.99 -0.49 1.57 1.57 -0.24 0.85 116.57 121.96 2vhb h LYS 84 Ca 0.31 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2vhb h LYS 84 Cb -0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2vhb h LYS 84 CO -0.06 1.04 0.31 0.45 -0.57 0.00 0.00 179.45 180.62 2vhb h HIS 85 N 0.86 0.64 -0.22 -1.35 3.86 -0.42 0.11 115.15 118.64 2vhb h HIS 85 Ca 0.14 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.21 2vhb h HIS 85 Cb 0.66 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 2vhb h HIS 85 CO 0.05 0.43 -0.45 0.00 0.86 0.00 0.00 177.93 178.82 2vhb h GLN 87 N 0.44 0.42 0.00 0.00 4.15 -0.47 -3.05 115.11 116.60 2vhb h GLN 87 Ca 0.03 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2vhb h GLN 87 Cb 0.97 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.61 2vhb h GLN 87 CO 0.09 0.56 -0.14 0.00 -1.93 0.00 0.00 178.83 177.40 2vhb h ALA 88 N 1.47 0.92 0.00 3.38 0.00 -0.04 -3.47 119.26 121.51 2vhb h ALA 88 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2vhb h ALA 88 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2vhb h ALA 88 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2vhb n GLY 89 N 1.23 1.41 3.73 0.00 0.00 -0.53 -4.88 105.19 106.14 2vhb n GLY 89 Ca 0.04 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2vhb n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vhb s VAL 90 N -2.00 3.34 0.17 1.61 1.01 -0.24 -5.03 120.40 119.25 2vhb s VAL 90 Ca 0.00 1.05 0.07 0.00 0.00 0.00 0.00 61.98 63.10 2vhb s VAL 90 Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2vhb s VAL 90 CO 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 175.10 175.23 2vhb s ALA 91 N 0.46 3.20 0.41 5.51 0.00 -1.26 -4.78 121.76 125.30 2vhb s ALA 91 Ca 0.59 -1.35 0.13 0.00 0.00 0.00 0.00 51.96 51.33 2vhb s ALA 91 Cb -0.36 -1.00 0.97 0.00 0.00 0.00 0.00 23.12 22.74 2vhb s ALA 91 CO 0.35 0.49 1.92 0.00 0.00 0.00 0.00 175.76 178.52 2vhb h ALA 92 N 2.75 2.01 0.00 0.00 0.00 -1.96 0.36 119.26 122.42 2vhb h ALA 92 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2vhb h ALA 92 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2vhb h ALA 92 CO 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.62 2vhb n ALA 93 N -2.50 1.97 0.14 0.00 0.00 -1.26 -1.86 120.51 117.00 2vhb n ALA 93 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2vhb n ALA 93 Cb 0.48 -1.36 0.16 0.00 0.00 0.00 0.00 19.45 18.72 2vhb n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2vhb h HIS 94 N 0.00 0.00 -0.78 0.00 -0.00 -1.33 -3.37 115.15 109.68 2vhb h HIS 94 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.46 2vhb h HIS 94 Cb 0.41 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 27.75 2vhb h HIS 94 CO 0.00 0.60 0.44 1.88 -0.00 0.00 0.00 177.93 180.84 2vhb h TYR 95 N 0.00 0.79 -0.17 2.45 -1.99 -1.44 -2.22 116.97 114.39 2vhb h TYR 95 Ca -0.01 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.69 2vhb h TYR 95 Cb 1.17 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.65 2vhb h TYR 95 CO 0.00 0.33 -0.18 -1.35 -0.00 0.00 0.00 178.16 176.96 2vhb h PRO 96 N 0.75 0.29 -0.36 4.88 0.11 -1.76 0.38 132.00 136.28 2vhb h PRO 96 Ca 0.37 -0.08 -0.16 0.00 0.11 0.00 0.00 66.00 66.24 2vhb h PRO 96 Cb 0.33 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2vhb h PRO 96 CO -0.24 0.47 -0.39 -0.84 -0.21 0.00 0.00 178.00 176.79 2vhb h ILE 97 N 0.27 1.28 -0.59 4.15 3.07 -1.64 0.21 117.51 124.26 2vhb h ILE 97 Ca 0.05 -1.57 -0.10 0.00 1.55 0.00 0.00 64.86 64.79 2vhb h ILE 97 Cb 0.48 1.41 -0.02 0.00 -0.27 0.00 0.00 36.82 38.42 2vhb h ILE 97 CO 0.03 0.52 -0.03 0.58 -1.05 0.00 0.00 178.15 178.20 2vhb h VAL 98 N 0.72 1.27 -0.46 0.16 2.07 -1.07 -2.36 116.25 116.58 2vhb h VAL 98 Ca 0.06 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 2vhb h VAL 98 Cb 0.98 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 2vhb h VAL 98 CO 0.09 0.43 0.25 1.23 0.02 0.00 0.00 177.57 179.59 2vhb h GLY 99 N 0.96 0.68 0.73 2.17 0.00 -0.71 0.18 103.07 107.08 2vhb h GLY 99 Ca 0.16 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.23 2vhb h GLY 99 CO 0.04 0.29 0.27 -1.61 0.00 0.00 0.00 176.54 175.53 2vhb h GLN 100 N 0.60 0.50 -0.04 4.80 4.15 -0.29 -1.14 115.11 123.70 2vhb h GLN 100 Ca 0.16 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.40 2vhb h GLN 100 Cb 0.05 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2vhb h GLN 100 CO -0.03 0.33 -0.66 0.93 -1.93 0.00 0.00 178.83 177.48 2vhb h GLU 101 N 0.52 0.17 -0.23 1.69 4.39 -0.90 -2.06 114.58 118.16 2vhb h GLU 101 Ca 0.23 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2vhb h GLU 101 Cb 0.13 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2vhb h GLU 101 CO -0.15 0.77 0.10 1.25 -1.16 0.00 0.00 179.01 179.81 2vhb h LEU 102 N 0.12 0.30 -1.17 1.33 5.85 -0.31 -2.23 115.31 119.21 2vhb h LEU 102 Ca -0.01 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 2vhb h LEU 102 Cb 1.18 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2vhb h LEU 102 CO 0.10 0.36 0.23 -0.07 -0.34 0.00 0.00 178.44 178.71 2vhb h LEU 103 N 0.23 0.74 -0.34 2.25 -0.00 -1.18 -1.52 115.31 115.49 2vhb h LEU 103 Ca 0.08 -0.09 0.05 0.00 -0.00 0.00 0.00 57.88 57.91 2vhb h LEU 103 Cb 0.14 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.57 2vhb h LEU 103 CO -0.01 0.66 0.09 1.23 -0.00 0.00 0.00 178.44 180.41 2vhb h GLY 104 N 0.93 0.40 1.01 0.83 0.00 -1.01 -0.04 103.07 105.20 2vhb h GLY 104 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 2vhb h GLY 104 CO -0.02 -0.00 0.33 0.00 0.00 0.00 0.00 176.54 176.85 2vhb h ALA 105 N 1.24 0.90 -0.47 3.60 0.00 -0.89 -0.77 119.26 122.88 2vhb h ALA 105 Ca 0.16 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2vhb h ALA 105 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2vhb h ALA 105 CO -0.19 0.47 -0.22 0.82 0.00 0.00 0.00 179.25 180.13 2vhb h ILE 106 N 0.98 1.27 0.38 0.00 2.04 -1.09 0.62 117.51 121.71 2vhb h ILE 106 Ca 0.24 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 2vhb h ILE 106 Cb 0.12 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2vhb h ILE 106 CO -0.03 0.48 -0.22 0.50 0.00 0.00 0.00 178.15 178.87 2vhb h LYS 107 N 0.83 -0.55 -0.34 2.37 3.64 -0.66 0.34 116.57 122.20 2vhb h LYS 107 Ca 0.11 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 2vhb h LYS 107 Cb 0.80 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.68 2vhb h LYS 107 CO 0.07 -0.37 -0.07 0.93 -2.27 0.00 0.00 179.45 177.74 2vhb h GLU 108 N -0.57 0.02 -0.13 1.90 5.08 -0.84 -2.14 114.58 117.89 2vhb h GLU 108 Ca -0.04 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 2vhb h GLU 108 Cb 0.47 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2vhb h GLU 108 CO 0.05 0.01 -0.44 -0.39 -1.00 0.00 0.00 179.01 177.25 2vhb h VAL 109 N 0.02 1.32 0.00 3.13 -1.51 -0.42 -2.39 116.25 116.40 2vhb h VAL 109 Ca 0.17 -1.60 -0.00 0.00 -1.23 0.00 0.00 66.70 64.03 2vhb h VAL 109 Cb 0.25 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 31.11 2vhb h VAL 109 CO -0.34 0.48 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.39 2vhb h LEU 110 N 0.26 0.00 0.00 4.19 3.38 0.32 -3.46 115.31 120.00 2vhb h LEU 110 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2vhb h LEU 110 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2vhb h LEU 110 CO 0.07 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2vhb n GLY 111 N -1.01 3.14 0.28 0.83 0.00 -0.90 -0.67 105.19 106.87 2vhb n GLY 111 Ca -0.03 0.27 0.18 0.00 0.00 0.00 0.00 46.02 46.45 2vhb n GLY 111 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vhb h ASP 112 N 0.00 0.00 0.21 1.61 3.32 -1.90 -2.08 116.42 117.57 2vhb h ASP 112 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2vhb h ASP 112 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2vhb h ASP 112 CO 0.00 0.01 -0.19 0.00 -1.72 0.00 0.00 179.24 177.34 2vhb n ALA 113 N -2.10 2.94 -1.00 3.45 0.00 0.15 -4.49 120.51 119.46 2vhb n ALA 113 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 53.44 52.76 2vhb n ALA 113 Cb 0.29 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 2vhb n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vhb n ALA 114 N -0.54 6.07 -1.01 0.00 0.00 -0.78 -4.83 120.51 119.41 2vhb n ALA 114 Ca 0.14 -2.65 -0.29 0.00 0.00 0.00 0.00 53.44 50.63 2vhb n ALA 114 Cb 0.34 -3.12 0.18 0.00 0.00 0.00 0.00 19.45 16.85 2vhb n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2vhb s THR 115 N 2.70 2.26 0.11 0.00 -4.23 -1.26 -4.77 115.64 110.43 2vhb s THR 115 Ca 0.54 0.08 -0.23 0.00 -1.18 0.00 0.00 61.69 60.91 2vhb s THR 115 Cb 0.15 -2.45 -0.09 0.00 1.34 0.00 0.00 72.50 71.45 2vhb s THR 115 CO -0.04 -0.11 1.71 0.44 -0.54 0.00 0.00 174.62 176.08 2vhb h ASP 116 N -1.95 -0.18 -0.96 3.99 3.32 -1.99 -1.66 116.42 117.00 2vhb h ASP 116 Ca -0.54 0.03 0.11 0.00 0.02 0.00 0.00 57.03 56.66 2vhb h ASP 116 Cb 1.31 0.09 -0.08 0.00 0.22 0.00 0.00 39.33 40.87 2vhb h ASP 116 CO 0.54 -0.08 0.59 0.44 -1.72 0.00 0.00 179.24 179.00 2vhb h ASP 117 N -0.08 0.86 -0.35 6.45 3.32 -1.96 -0.83 116.42 123.82 2vhb h ASP 117 Ca 0.04 0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 2vhb h ASP 117 Cb 0.14 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 2vhb h ASP 117 CO -0.09 0.46 -0.43 0.40 -1.72 0.00 0.00 179.24 177.86 2vhb h ILE 118 N 0.94 1.27 -0.45 0.35 2.04 -1.76 -1.50 117.51 118.39 2vhb h ILE 118 Ca 0.47 -1.61 -0.11 0.00 1.00 0.00 0.00 64.86 64.61 2vhb h ILE 118 Cb 0.45 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2vhb h ILE 118 CO -0.26 0.53 -0.16 -0.07 0.00 0.00 0.00 178.15 178.20 2vhb h LEU 119 N 0.73 0.87 -0.78 1.44 3.38 -0.86 -2.05 115.31 118.04 2vhb h LEU 119 Ca 0.05 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2vhb h LEU 119 Cb 1.03 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2vhb h LEU 119 CO 0.10 1.02 0.35 0.44 0.09 0.00 0.00 178.44 180.44 2vhb h ASP 120 N 0.77 1.05 -0.38 -0.43 5.19 -1.08 0.29 116.42 121.83 2vhb h ASP 120 Ca 0.12 -0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.39 2vhb h ASP 120 Cb 0.68 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 2vhb h ASP 120 CO 0.05 0.91 0.23 0.00 -3.12 0.00 0.00 179.24 177.31 2vhb h ALA 121 N 1.18 0.48 -0.17 3.45 0.00 -1.01 0.75 119.26 123.94 2vhb h ALA 121 Ca 0.27 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2vhb h ALA 121 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2vhb h ALA 121 CO -0.03 -0.10 -0.16 -1.49 0.00 0.00 0.00 179.25 177.47 2vhb h TRP 122 N 0.47 0.29 0.07 0.00 4.06 -0.96 0.52 115.95 120.39 2vhb h TRP 122 Ca 0.15 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 61.05 2vhb h TRP 122 Cb -0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.07 2vhb h TRP 122 CO -0.07 0.43 -0.03 0.78 -3.56 0.00 0.00 178.44 175.99 2vhb h GLY 123 N 0.83 -0.09 0.87 1.49 0.00 0.17 0.76 103.07 107.09 2vhb h GLY 123 Ca 0.05 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.44 2vhb h GLY 123 CO 0.03 -0.03 0.23 0.50 0.00 0.00 0.00 176.54 177.26 2vhb h LYS 124 N -0.17 0.45 -0.59 4.80 1.57 -0.03 -0.99 116.57 121.61 2vhb h LYS 124 Ca -0.01 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2vhb h LYS 124 Cb 0.15 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 2vhb h LYS 124 CO 0.02 0.30 0.28 0.00 -0.57 0.00 0.00 179.45 179.47 2vhb h ALA 125 N 1.19 0.76 -0.91 3.86 0.00 -0.57 -1.62 119.26 121.98 2vhb h ALA 125 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2vhb h ALA 125 Cb 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2vhb h ALA 125 CO -0.09 0.33 0.51 -0.92 0.00 0.00 0.00 179.25 179.08 2vhb h TYR 126 N 0.81 1.23 0.28 0.00 3.20 -0.36 -1.55 116.97 120.57 2vhb h TYR 126 Ca 0.20 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2vhb h TYR 126 Cb 0.13 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 2vhb h TYR 126 CO 0.00 0.84 -0.34 0.78 -1.64 0.00 0.00 178.16 177.80 2vhb h GLY 127 N 1.27 -0.75 0.51 1.82 0.00 -0.32 0.19 103.07 105.78 2vhb h GLY 127 Ca 0.32 0.40 0.12 0.00 0.00 0.00 0.00 47.33 48.16 2vhb h GLY 127 CO -0.05 -0.28 0.63 -2.08 0.00 0.00 0.00 176.54 174.75 2vhb h VAL 128 N -0.67 0.93 -0.22 4.60 2.07 -0.89 -0.10 116.25 121.98 2vhb h VAL 128 Ca -0.01 -0.34 -0.15 0.00 0.82 0.00 0.00 66.70 67.02 2vhb h VAL 128 Cb 0.63 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2vhb h VAL 128 CO -0.10 0.18 -0.46 0.40 0.02 0.00 0.00 177.57 177.60 2vhb h ILE 129 N 0.98 1.31 -0.88 4.57 2.04 -0.77 -3.03 117.51 121.73 2vhb h ILE 129 Ca 0.48 -1.68 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 2vhb h ILE 129 Cb 0.48 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 2vhb h ILE 129 CO -0.25 0.53 0.45 0.00 0.00 0.00 0.00 178.15 178.88 2vhb h ALA 130 N 0.62 1.13 -0.86 1.87 0.00 -0.06 -2.01 119.26 119.94 2vhb h ALA 130 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.88 2vhb h ALA 130 Cb 1.07 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2vhb h ALA 130 CO 0.10 0.66 0.56 -0.44 0.00 0.00 0.00 179.25 180.13 2vhb h ASP 131 N 1.24 0.71 0.08 0.00 3.32 -0.99 0.10 116.42 120.89 2vhb h ASP 131 Ca 0.31 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 2vhb h ASP 131 Cb 0.07 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2vhb h ASP 131 CO -0.04 0.41 -0.04 0.58 -1.72 0.00 0.00 179.24 178.42 2vhb h VAL 132 N 0.78 1.03 -0.72 -1.35 2.07 -1.25 -1.88 116.25 114.93 2vhb h VAL 132 Ca 0.41 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2vhb h VAL 132 Cb 0.50 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2vhb h VAL 132 CO -0.17 0.10 0.37 -0.26 0.02 0.00 0.00 177.57 177.62 2vhb h PHE 133 N -0.28 1.02 -0.37 1.57 -1.00 -0.99 -1.89 116.94 114.99 2vhb h PHE 133 Ca -0.01 -0.04 0.01 0.00 2.81 0.00 0.00 57.97 60.74 2vhb h PHE 133 Cb 0.24 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 2vhb h PHE 133 CO -0.02 0.74 0.24 0.82 -1.61 0.00 0.00 178.31 178.48 2vhb h ILE 134 N 1.00 1.07 -0.32 -0.55 2.04 -0.81 -0.75 117.51 119.20 2vhb h ILE 134 Ca 0.25 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 2vhb h ILE 134 Cb 0.08 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2vhb h ILE 134 CO -0.04 0.09 0.10 -0.61 0.00 0.00 0.00 178.15 177.69 2vhb h GLN 135 N 0.48 0.50 -0.40 2.37 5.75 -1.09 -0.97 115.11 121.75 2vhb h GLN 135 Ca 0.14 -0.11 0.05 0.00 -0.15 0.00 0.00 58.65 58.58 2vhb h GLN 135 Cb -0.03 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 2vhb h GLN 135 CO -0.04 0.54 0.15 0.28 -2.65 0.00 0.00 178.83 177.11 2vhb h VAL 136 N 0.36 0.90 -0.13 2.39 2.07 -1.20 -0.69 116.25 119.95 2vhb h VAL 136 Ca 0.10 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 2vhb h VAL 136 Cb 0.25 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2vhb h VAL 136 CO -0.00 0.06 -0.33 -0.33 0.02 0.00 0.00 177.57 176.99 2vhb h GLU 137 N 0.32 0.25 -0.47 1.57 5.08 -1.00 -1.00 114.58 119.33 2vhb h GLU 137 Ca 0.18 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 2vhb h GLU 137 Cb 0.15 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2vhb h GLU 137 CO -0.18 0.56 -0.02 0.00 -1.00 0.00 0.00 179.01 178.37 2vhb h ALA 138 N 1.44 0.64 0.00 3.43 0.00 -0.66 0.20 119.26 124.31 2vhb h ALA 138 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2vhb h ALA 138 Cb 0.69 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2vhb h ALA 138 CO 0.05 0.46 -0.27 -0.44 0.00 0.00 0.00 179.25 179.06 2vhb h ASP 139 N 0.70 0.00 0.58 0.00 3.32 -0.88 -0.65 116.42 119.49 2vhb h ASP 139 Ca 0.13 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.94 2vhb h ASP 139 Cb 0.54 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 2vhb h ASP 139 CO 0.03 0.27 -1.09 -0.07 -1.72 0.00 0.00 179.24 176.66 2vhb h LEU 140 N 0.00 0.39 -0.56 1.55 3.38 -0.42 -0.39 115.31 119.26 2vhb h LEU 140 Ca -0.00 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 2vhb h LEU 140 Cb 0.49 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2vhb h LEU 140 CO 0.03 1.23 0.21 1.88 0.09 0.00 0.00 178.44 181.89 2vhb h TYR 141 N 0.11 0.88 0.02 1.13 0.05 -0.31 -1.90 116.97 116.94 2vhb h TYR 141 Ca -0.10 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.61 2vhb h TYR 141 Cb 1.78 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 39.26 2vhb h TYR 141 CO 0.05 0.72 -0.01 0.00 -1.05 0.00 0.00 178.16 177.87 2vhb h ALA 142 N 1.06 -0.02 -0.49 3.88 0.00 -1.07 -2.00 119.26 120.63 2vhb h ALA 142 Ca 0.19 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.16 2vhb h ALA 142 Cb 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2vhb h ALA 142 CO -0.01 -0.44 0.41 0.37 0.00 0.00 0.00 179.25 179.58 2vhb h GLN 143 N -0.16 0.00 0.00 0.00 4.15 -0.91 -1.70 115.11 116.49 2vhb h GLN 143 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 2vhb h GLN 143 Cb 0.16 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2vhb h GLN 143 CO 0.00 0.00 -0.21 0.00 -1.93 0.00 0.00 178.83 176.69 2vhb h ALA 144 N 1.63 1.15 -0.16 3.38 0.00 -0.55 -3.01 119.26 121.70 2vhb h ALA 144 Ca 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vhb h ALA 144 Cb 1.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2vhb h ALA 144 CO -0.00 0.26 0.00 1.33 0.00 0.00 0.00 179.25 180.84 2vhb n VAL 145 N -3.56 0.19 0.00 0.00 0.24 -0.65 -5.14 118.33 109.42 2vhb n VAL 145 Ca -0.01 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 2vhb n VAL 145 Cb 0.36 1.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 2vhb n VAL 145 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90