#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vh6 s THR 19 N 0.00 1.17 -0.04 0.00 2.01 -1.26 -5.09 115.64 112.43 1vh6 s THR 19 Ca 0.00 -0.85 -0.32 0.00 0.31 0.00 0.00 61.69 60.83 1vh6 s THR 19 Cb 0.00 -1.44 -0.10 0.00 0.01 0.00 0.00 72.50 70.97 1vh6 s THR 19 CO 0.00 -0.03 1.96 -0.81 -0.69 0.00 0.00 174.62 175.06 1vh6 n PRO 20 N 4.83 2.51 0.00 4.92 -0.04 -1.26 -2.03 135.00 143.93 1vh6 n PRO 20 Ca -0.11 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 1vh6 n PRO 20 Cb 0.46 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1vh6 n PRO 20 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vh6 n GLY 21 N 4.62 1.75 0.20 0.55 0.00 -1.26 -5.02 105.19 106.04 1vh6 n GLY 21 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.22 1vh6 n GLY 21 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vh6 h GLU 22 N 0.00 0.05 -0.82 1.61 5.08 -1.85 -2.77 114.58 115.88 1vh6 h GLU 22 Ca 0.00 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1vh6 h GLU 22 Cb 0.00 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 1vh6 h GLU 22 CO 0.00 0.03 0.53 -0.07 -1.00 0.00 0.00 179.01 178.51 1vh6 h LEU 23 N 0.05 0.73 -0.24 1.33 3.38 -1.96 -1.49 115.31 117.12 1vh6 h LEU 23 Ca 0.25 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 58.02 1vh6 h LEU 23 Cb 0.39 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1vh6 h LEU 23 CO -0.47 0.44 -0.80 0.74 0.09 0.00 0.00 178.44 178.44 1vh6 h THR 24 N 0.81 1.33 0.00 0.22 2.02 -1.94 -1.13 112.91 114.22 1vh6 h THR 24 Ca 0.37 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 65.45 1vh6 h THR 24 Cb 0.37 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1vh6 h THR 24 CO -0.14 0.65 0.00 -0.11 0.37 0.00 0.00 175.52 176.29 1vh6 n LEU 25 N -3.87 0.00 0.00 2.58 7.94 -0.56 -1.24 117.00 121.85 1vh6 n LEU 25 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 1vh6 n LEU 25 Cb 0.75 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.70 1vh6 n LEU 25 CO 0.51 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.97 1vh6 n LEU 27 N 0.81 0.00 -0.11 -1.96 4.77 -0.43 -1.14 117.00 118.94 1vh6 n LEU 27 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1vh6 n LEU 27 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1vh6 n LEU 27 CO 0.00 0.00 1.01 1.88 -1.33 0.00 0.00 177.39 178.95 1vh6 h TYR 28 N 0.00 0.42 -0.69 -1.77 0.99 -1.46 0.16 116.97 114.62 1vh6 h TYR 28 Ca 0.00 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.66 1vh6 h TYR 28 Cb 0.00 -0.14 -0.03 0.00 1.00 0.00 0.00 36.73 37.57 1vh6 h TYR 28 CO 0.00 0.25 0.12 -0.91 -0.00 0.00 0.00 178.16 177.62 1vh6 h ASN 29 N 0.45 1.08 -0.23 3.88 2.35 -1.39 -1.36 115.58 120.36 1vh6 h ASN 29 Ca 0.14 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1vh6 h ASN 29 Cb -0.02 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 1vh6 h ASN 29 CO -0.05 1.06 0.14 1.23 -1.65 0.00 0.00 177.43 178.16 1vh6 h GLY 30 N 1.06 0.33 1.12 2.83 0.00 -1.69 -1.92 103.07 104.80 1vh6 h GLY 30 Ca 0.21 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.47 1vh6 h GLY 30 CO 0.01 0.13 0.43 0.00 0.00 0.00 0.00 176.54 177.11 1vh6 h LEU 32 N 0.65 0.58 0.07 0.00 3.38 -0.80 -2.40 115.31 116.78 1vh6 h LEU 32 Ca 0.28 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1vh6 h LEU 32 Cb 0.28 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1vh6 h LEU 32 CO -0.09 1.09 -0.04 0.50 0.09 0.00 0.00 178.44 180.00 1vh6 h LYS 33 N 0.35 -0.10 -0.30 1.13 3.64 -0.54 -0.92 116.57 119.83 1vh6 h LYS 33 Ca -0.02 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1vh6 h LYS 33 Cb 1.25 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1vh6 h LYS 33 CO 0.12 0.02 -0.02 0.74 -2.27 0.00 0.00 179.45 178.04 1vh6 h PHE 34 N -0.20 0.48 -0.44 1.91 0.05 -1.42 -0.24 116.94 117.09 1vh6 h PHE 34 Ca -0.01 -0.05 -0.13 0.00 3.82 0.00 0.00 57.97 61.61 1vh6 h PHE 34 Cb 0.17 -0.14 -0.01 0.00 2.00 0.00 0.00 35.95 37.96 1vh6 h PHE 34 CO -0.04 0.50 -0.22 0.82 -0.18 0.00 0.00 178.31 179.19 1vh6 h ILE 35 N 0.45 1.27 -0.40 -0.55 2.04 -1.25 -2.29 117.51 116.78 1vh6 h ILE 35 Ca 0.10 -1.37 -0.13 0.00 1.00 0.00 0.00 64.86 64.46 1vh6 h ILE 35 Cb 0.33 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1vh6 h ILE 35 CO 0.01 0.47 -0.26 0.03 0.00 0.00 0.00 178.15 178.40 1vh6 h ARG 36 N 0.75 0.84 0.00 2.37 3.08 -0.55 -2.44 114.38 118.43 1vh6 h ARG 36 Ca 0.10 -0.37 -0.06 0.00 0.07 0.00 0.00 59.98 59.72 1vh6 h ARG 36 Cb 0.79 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1vh6 h ARG 36 CO 0.06 1.00 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.61 1vh6 h LEU 37 N 0.72 0.00 -0.34 3.04 3.38 -1.02 -2.45 115.31 118.64 1vh6 h LEU 37 Ca 0.09 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 1vh6 h LEU 37 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1vh6 h LEU 37 CO 0.07 0.29 -0.73 0.00 0.09 0.00 0.00 178.44 178.16 1vh6 h ALA 38 N 1.71 0.51 -0.53 1.53 0.00 -1.10 -1.21 119.26 120.18 1vh6 h ALA 38 Ca -0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 1vh6 h ALA 38 Cb 0.67 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1vh6 h ALA 38 CO 0.04 0.73 -0.04 0.00 0.00 0.00 0.00 179.25 179.98 1vh6 h ALA 39 N 0.82 0.92 -0.42 0.00 0.00 -1.11 -1.84 119.26 117.63 1vh6 h ALA 39 Ca -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1vh6 h ALA 39 Cb 1.32 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1vh6 h ALA 39 CO 0.13 0.64 0.13 1.96 0.00 0.00 0.00 179.25 182.12 1vh6 h GLN 40 N 0.86 0.65 -0.46 0.00 4.20 -1.30 -2.96 115.11 116.10 1vh6 h GLN 40 Ca 0.15 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1vh6 h GLN 40 Cb 0.56 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1vh6 h GLN 40 CO 0.03 0.64 0.22 0.00 -0.67 0.00 0.00 178.83 179.05 1vh6 h ALA 41 N 0.98 0.59 -0.88 3.87 0.00 -0.96 -2.56 119.26 120.30 1vh6 h ALA 41 Ca 0.14 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1vh6 h ALA 41 Cb 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1vh6 h ALA 41 CO -0.00 0.16 0.57 0.82 0.00 0.00 0.00 179.25 180.79 1vh6 h ILE 42 N 0.60 1.13 -0.16 0.00 2.04 -1.30 0.52 117.51 120.34 1vh6 h ILE 42 Ca 0.16 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 1vh6 h ILE 42 Cb 0.13 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 1vh6 h ILE 42 CO -0.02 0.20 -0.24 -0.33 0.00 0.00 0.00 178.15 177.76 1vh6 h GLU 43 N 1.09 0.29 -0.67 2.37 5.08 -1.37 -1.98 114.58 119.39 1vh6 h GLU 43 Ca 0.36 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1vh6 h GLU 43 Cb 0.03 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1vh6 h GLU 43 CO -0.13 0.52 0.00 0.09 -1.00 0.00 0.00 179.01 178.49 1vh6 n ASN 44 N -4.16 3.79 -4.24 1.42 3.02 -0.69 -4.89 115.26 109.51 1vh6 n ASN 44 Ca -0.01 -2.47 -0.36 0.00 -0.03 0.00 0.00 54.58 51.71 1vh6 n ASN 44 Cb 0.36 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1vh6 n ASN 44 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1vh6 n ASP 45 N 0.55 -3.15 -4.93 6.41 8.00 -0.67 -5.03 116.55 117.72 1vh6 n ASP 45 Ca 0.18 -1.02 -0.28 0.00 0.71 0.00 0.00 54.79 54.38 1vh6 n ASP 45 Cb 0.77 -2.70 -0.03 0.00 -0.02 0.00 0.00 41.12 39.14 1vh6 n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1vh6 s ASP 46 N -3.32 6.36 0.00 -2.24 -1.08 0.17 -5.00 116.67 111.55 1vh6 s ASP 46 Ca 0.73 0.24 0.00 0.00 -0.52 0.00 0.00 52.55 52.99 1vh6 s ASP 46 Cb -0.40 -1.94 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 1vh6 s ASP 46 CO 0.93 0.08 0.00 -0.62 0.52 0.00 0.00 175.17 176.08 1vh6 n GLU 48 N -0.27 0.00 0.23 4.34 -0.58 -1.26 -2.18 120.64 120.92 1vh6 n GLU 48 Ca -0.06 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.77 1vh6 n GLU 48 Cb 0.53 0.00 0.55 0.00 -0.57 0.00 0.00 31.44 31.95 1vh6 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vh6 h ARG 49 N 0.00 0.00 -0.09 3.49 3.08 -1.97 -2.71 114.38 116.18 1vh6 h ARG 49 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vh6 h ARG 49 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1vh6 h ARG 49 CO 0.00 0.22 0.04 -0.22 -1.07 0.00 0.00 179.97 178.94 1vh6 h LYS 50 N 0.00 0.13 0.12 0.04 3.64 -1.75 -1.71 116.57 117.04 1vh6 h LYS 50 Ca -0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1vh6 h LYS 50 Cb 0.56 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1vh6 h LYS 50 CO 0.03 0.24 -0.06 -0.97 -2.27 0.00 0.00 179.45 176.42 1vh6 h ASN 51 N 0.00 -0.13 -0.13 4.20 -1.24 -1.81 -0.56 115.58 115.91 1vh6 h ASN 51 Ca 0.03 -0.16 0.03 0.00 0.71 0.00 0.00 56.30 56.91 1vh6 h ASN 51 Cb 0.15 0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.18 1vh6 h ASN 51 CO -0.00 0.08 -0.43 -0.08 -1.29 0.00 0.00 177.43 175.71 1vh6 h GLU 52 N -0.34 -0.43 -0.43 6.67 4.57 -1.45 0.08 114.58 123.24 1vh6 h GLU 52 Ca -0.02 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1vh6 h GLU 52 Cb 0.28 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1vh6 h GLU 52 CO 0.03 -0.29 0.29 -0.91 -1.18 0.00 0.00 179.01 176.94 1vh6 h ASN 53 N -0.45 0.46 0.45 1.04 2.35 -1.31 -1.96 115.58 116.16 1vh6 h ASN 53 Ca 0.03 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.60 1vh6 h ASN 53 Cb 0.53 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1vh6 h ASN 53 CO -0.36 0.32 -0.71 -0.07 -1.65 0.00 0.00 177.43 174.97 1vh6 h LEU 54 N 0.53 0.26 -0.30 1.61 3.38 -0.41 -2.18 115.31 118.21 1vh6 h LEU 54 Ca 0.16 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1vh6 h LEU 54 Cb 0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1vh6 h LEU 54 CO -0.04 0.88 -0.50 0.40 0.09 0.00 0.00 178.44 179.28 1vh6 h ILE 55 N 0.15 1.28 -0.42 1.22 2.04 -0.48 -1.57 117.51 119.73 1vh6 h ILE 55 Ca -0.02 -1.68 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 1vh6 h ILE 55 Cb 1.26 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 1vh6 h ILE 55 CO 0.11 0.55 0.25 0.11 0.00 0.00 0.00 178.15 179.17 1vh6 h LYS 56 N 0.64 0.57 -0.46 2.37 1.57 -1.31 0.32 116.57 120.28 1vh6 h LYS 56 Ca 0.02 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1vh6 h LYS 56 Cb 1.10 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1vh6 h LYS 56 CO 0.11 0.43 0.04 0.00 -0.57 0.00 0.00 179.45 179.46 1vh6 h ALA 57 N 1.11 1.21 -0.53 3.86 0.00 -1.38 -1.34 119.26 122.19 1vh6 h ALA 57 Ca 0.15 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1vh6 h ALA 57 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1vh6 h ALA 57 CO -0.03 0.53 -0.09 1.96 0.00 0.00 0.00 179.25 181.62 1vh6 h GLN 58 N 0.69 1.00 -0.60 0.00 4.20 -0.46 -1.83 115.11 118.10 1vh6 h GLN 58 Ca 0.14 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 1vh6 h GLN 58 Cb 0.37 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1vh6 h GLN 58 CO 0.01 1.04 0.18 -0.91 -0.67 0.00 0.00 178.83 178.48 1vh6 h ASN 59 N 0.87 0.85 -0.54 1.46 2.35 0.07 -1.45 115.58 119.19 1vh6 h ASN 59 Ca 0.14 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1vh6 h ASN 59 Cb 0.65 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1vh6 h ASN 59 CO 0.04 0.81 0.16 0.40 -1.65 0.00 0.00 177.43 177.20 1vh6 h ILE 60 N 0.89 1.24 -0.86 2.81 2.04 -1.01 -0.18 117.51 122.43 1vh6 h ILE 60 Ca 0.20 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 1vh6 h ILE 60 Cb 0.27 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1vh6 h ILE 60 CO -0.01 0.30 0.42 0.40 0.00 0.00 0.00 178.15 179.26 1vh6 h ILE 61 N 0.75 1.26 -0.18 -0.67 2.04 -0.77 -0.70 117.51 119.24 1vh6 h ILE 61 Ca 0.17 -0.72 -0.12 0.00 1.00 0.00 0.00 64.86 65.19 1vh6 h ILE 61 Cb 0.29 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1vh6 h ILE 61 CO -0.00 0.31 -0.40 1.56 0.00 0.00 0.00 178.15 179.62 1vh6 h GLN 62 N 1.23 0.40 -0.59 2.37 4.20 -1.05 0.11 115.11 121.78 1vh6 h GLN 62 Ca 0.30 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 1vh6 h GLN 62 Cb 0.11 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1vh6 h GLN 62 CO -0.04 0.74 0.23 1.49 -0.67 0.00 0.00 178.83 180.57 1vh6 h GLU 63 N 0.34 0.88 -0.07 1.46 4.57 -0.31 0.18 114.58 121.64 1vh6 h GLU 63 Ca 0.03 -0.17 -0.20 0.00 -1.18 0.00 0.00 59.36 57.84 1vh6 h GLU 63 Cb 0.85 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1vh6 h GLU 63 CO 0.07 0.76 -0.80 -0.07 -1.18 0.00 0.00 179.01 177.79 1vh6 h LEU 64 N 0.82 0.58 -0.27 1.64 3.38 -0.94 -2.87 115.31 117.64 1vh6 h LEU 64 Ca 0.19 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 1vh6 h LEU 64 Cb 0.21 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1vh6 h LEU 64 CO -0.01 1.17 -0.24 -1.13 0.09 0.00 0.00 178.44 178.31 1vh6 h ASN 65 N 0.31 0.68 0.51 -0.43 -1.24 -0.50 -1.87 115.58 113.03 1vh6 h ASN 65 Ca -0.05 -0.46 -0.03 0.00 0.71 0.00 0.00 56.30 56.48 1vh6 h ASN 65 Cb 1.40 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 40.26 1vh6 h ASN 65 CO 0.14 1.00 -0.25 0.15 -1.29 0.00 0.00 177.43 177.18 1vh6 h PHE 66 N 0.37 -0.64 -0.49 0.67 3.57 -0.71 -1.61 116.94 118.09 1vh6 h PHE 66 Ca 0.05 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1vh6 h PHE 66 Cb 0.79 0.21 -0.08 0.00 2.79 0.00 0.00 35.95 39.67 1vh6 h PHE 66 CO 0.07 -0.37 0.04 1.15 -2.23 0.00 0.00 178.31 176.97 1vh6 h THR 67 N -0.74 0.65 -0.24 4.41 2.02 -1.52 -1.09 112.91 116.40 1vh6 h THR 67 Ca -0.07 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.09 1vh6 h THR 67 Cb 0.55 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1vh6 h THR 67 CO 0.12 0.03 0.05 0.25 0.37 0.00 0.00 175.52 176.33 1vh6 h LEU 68 N 0.16 0.01 -0.69 2.58 6.46 -1.24 0.07 115.31 122.66 1vh6 h LEU 68 Ca 0.25 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1vh6 h LEU 68 Cb 0.36 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 1vh6 h LEU 68 CO -0.38 0.04 0.45 0.78 -0.62 0.00 0.00 178.44 178.72 1vh6 h ASN 69 N 0.14 0.79 -0.08 1.25 2.35 -0.50 -2.34 115.58 117.19 1vh6 h ASN 69 Ca 0.11 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1vh6 h ASN 69 Cb 0.11 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1vh6 h ASN 69 CO -0.15 0.57 -0.00 0.03 -1.65 0.00 0.00 177.43 176.23 1vh6 h ARG 70 N 0.93 0.14 -0.32 0.81 2.47 -0.97 -2.95 114.38 114.48 1vh6 h ARG 70 Ca 0.25 -0.05 0.09 0.00 -1.26 0.00 0.00 59.98 59.02 1vh6 h ARG 70 Cb -0.10 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 1vh6 h ARG 70 CO -0.06 0.42 0.32 -0.91 0.56 0.00 0.00 179.97 180.31 1vh6 h ASN 71 N -0.16 0.00 1.38 7.04 -0.26 -0.76 0.21 115.58 123.04 1vh6 h ASN 71 Ca 0.02 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.66 1vh6 h ASN 71 Cb 0.36 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 1vh6 h ASN 71 CO 0.00 0.00 -0.63 0.40 -1.06 0.00 0.00 177.43 176.14 1vh6 h ILE 72 N 0.00 0.71 0.24 2.81 2.04 -1.30 -2.88 117.51 119.14 1vh6 h ILE 72 Ca 0.15 -2.05 -0.33 0.00 1.00 0.00 0.00 64.86 63.63 1vh6 h ILE 72 Cb 0.80 2.30 0.03 0.00 -0.74 0.00 0.00 36.82 39.21 1vh6 h ILE 72 CO -0.00 0.41 -1.49 -0.33 0.00 0.00 0.00 178.15 176.73 1vh6 h GLU 73 N 0.00 0.51 0.00 2.37 5.08 -0.50 -3.20 114.58 118.84 1vh6 h GLU 73 Ca -0.03 -0.88 -0.03 0.00 -1.00 0.00 0.00 59.36 57.42 1vh6 h GLU 73 Cb 1.38 0.33 -0.00 0.00 0.50 0.00 0.00 28.75 30.95 1vh6 h GLU 73 CO 0.06 1.42 -0.16 -0.07 -1.00 0.00 0.00 179.01 179.25 1vh6 h LEU 74 N 0.11 0.00 -0.22 1.33 4.07 -1.13 -3.49 115.31 115.99 1vh6 h LEU 74 Ca -0.27 0.00 0.26 0.00 0.08 0.00 0.00 57.88 57.95 1vh6 h LEU 74 Cb 2.14 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 43.80 1vh6 h LEU 74 CO 0.26 0.16 -0.44 -1.54 -1.08 0.00 0.00 178.44 175.81 1vh6 n SER 75 N -4.20 -5.75 0.16 -0.43 3.41 -1.09 -4.20 113.62 101.51 1vh6 n SER 75 Ca -0.02 0.49 0.12 0.00 -0.26 0.00 0.00 58.87 59.19 1vh6 n SER 75 Cb 0.24 -2.99 0.58 0.00 -0.26 0.00 0.00 64.21 61.78 1vh6 n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vh6 h ALA 76 N -0.90 1.00 0.00 7.33 0.00 -1.90 -3.33 119.26 121.45 1vh6 h ALA 76 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1vh6 h ALA 76 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1vh6 h ALA 76 CO 0.02 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 1vh6 n SER 77 N -2.30 1.13 0.00 0.00 3.41 -1.26 -2.66 113.62 111.94 1vh6 n SER 77 Ca -0.00 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 1vh6 n SER 77 Cb 0.11 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1vh6 n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vh6 n GLY 79 N 1.51 0.00 1.22 5.00 0.00 -1.25 -4.75 105.19 106.92 1vh6 n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vh6 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vh6 n ALA 80 N 0.00 2.09 0.00 4.61 0.00 -1.09 -2.27 120.51 123.84 1vh6 n ALA 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vh6 n ALA 80 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1vh6 n ALA 80 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vh6 n TYR 82 N 1.07 0.00 -0.05 0.00 0.53 -1.26 -1.72 117.16 115.72 1vh6 n TYR 82 Ca 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.76 1vh6 n TYR 82 Cb 0.21 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.46 1vh6 n TYR 82 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 1vh6 h ASP 83 N 0.00 0.29 0.00 7.72 3.32 -1.87 -1.39 116.42 124.50 1vh6 h ASP 83 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1vh6 h ASP 83 Cb 0.00 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1vh6 h ASP 83 CO 0.00 0.56 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 1vh6 n TYR 84 N -4.71 0.00 0.00 4.55 9.36 -0.70 -1.22 117.16 124.44 1vh6 n TYR 84 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 1vh6 n TYR 84 Cb 0.24 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 1vh6 n TYR 84 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1vh6 n TYR 86 N 0.58 0.00 -0.01 2.98 9.36 -0.52 -0.21 117.16 129.33 1vh6 n TYR 86 Ca 0.00 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.18 1vh6 n TYR 86 Cb 0.00 0.00 0.18 0.00 -0.63 0.00 0.00 39.34 38.89 1vh6 n TYR 86 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1vh6 h ARG 87 N 0.00 0.55 -0.47 2.98 3.08 -1.43 -2.16 114.38 116.93 1vh6 h ARG 87 Ca 0.00 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.75 1vh6 h ARG 87 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1vh6 h ARG 87 CO 0.00 0.73 -0.11 0.00 -1.07 0.00 0.00 179.97 179.53 1vh6 h ARG 88 N 0.49 0.85 -0.15 0.04 2.47 -0.86 -0.59 114.38 116.62 1vh6 h ARG 88 Ca 0.08 -0.29 -0.02 0.00 -1.26 0.00 0.00 59.98 58.48 1vh6 h ARG 88 Cb 0.65 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 1vh6 h ARG 88 CO 0.05 0.92 0.01 -0.07 0.56 0.00 0.00 179.97 181.44 1vh6 h LEU 89 N 0.76 0.25 -0.61 3.04 3.38 -1.76 0.51 115.31 120.89 1vh6 h LEU 89 Ca 0.13 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.87 1vh6 h LEU 89 Cb 0.61 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1vh6 h LEU 89 CO 0.04 0.47 0.32 0.58 0.09 0.00 0.00 178.44 179.94 1vh6 h VAL 90 N 0.02 0.94 -0.43 1.22 2.07 -1.27 0.10 116.25 118.90 1vh6 h VAL 90 Ca 0.05 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1vh6 h VAL 90 Cb 0.34 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1vh6 h VAL 90 CO 0.01 0.11 0.06 -0.61 0.02 0.00 0.00 177.57 177.16 1vh6 h GLN 91 N 0.60 0.72 0.00 1.57 4.15 -0.83 -2.43 115.11 118.90 1vh6 h GLN 91 Ca 0.28 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 1vh6 h GLN 91 Cb 0.20 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1vh6 h GLN 91 CO -0.19 0.76 -0.21 0.00 -1.93 0.00 0.00 178.83 177.26 1vh6 h ALA 92 N 0.94 1.49 -0.24 3.38 0.00 0.80 -0.47 119.26 125.16 1vh6 h ALA 92 Ca 0.13 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1vh6 h ALA 92 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1vh6 h ALA 92 CO 0.01 0.26 -0.61 -0.97 0.00 0.00 0.00 179.25 177.94 1vh6 h ASN 93 N 0.00 0.90 -0.29 0.00 -0.73 -0.48 -0.74 115.58 114.24 1vh6 h ASN 93 Ca -0.00 -0.51 -0.17 0.00 1.87 0.00 0.00 56.30 57.48 1vh6 h ASN 93 Cb 0.41 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.74 1vh6 h ASN 93 CO 0.03 1.30 -0.49 0.40 -0.37 0.00 0.00 177.43 178.29 1vh6 h ILE 94 N 0.59 1.28 -0.00 2.57 5.03 -0.97 -3.26 117.51 122.75 1vh6 h ILE 94 Ca -0.00 -1.68 0.00 0.00 -0.12 0.00 0.00 64.86 63.06 1vh6 h ILE 94 Cb 1.21 1.62 0.00 0.00 -3.03 0.00 0.00 36.82 36.62 1vh6 h ILE 94 CO 0.13 0.55 -0.23 0.29 -0.68 0.00 0.00 178.15 178.20 1vh6 n LYS 95 N -4.06 0.51 -3.89 2.37 4.76 -0.23 -4.92 118.16 112.69 1vh6 n LYS 95 Ca -0.04 -0.24 -0.29 0.00 -2.87 0.00 0.00 58.31 54.87 1vh6 n LYS 95 Cb 0.60 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.32 1vh6 n LYS 95 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1vh6 n ASN 96 N -1.04 -3.96 -4.47 4.39 3.02 -0.31 -4.93 115.26 107.96 1vh6 n ASN 96 Ca 0.11 -0.80 -0.40 0.00 -0.03 0.00 0.00 54.58 53.46 1vh6 n ASN 96 Cb 0.32 -3.84 -0.11 0.00 -0.61 0.00 0.00 39.78 35.54 1vh6 n ASN 96 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1vh6 s ASP 97 N -3.53 5.79 0.08 6.41 3.68 -1.02 -4.95 116.67 123.12 1vh6 s ASP 97 Ca 0.53 -0.52 0.27 0.00 2.13 0.00 0.00 52.55 54.95 1vh6 s ASP 97 Cb -0.27 -2.07 0.81 0.00 -1.45 0.00 0.00 42.92 39.95 1vh6 s ASP 97 CO 0.83 -0.23 1.67 0.35 0.13 0.00 0.00 175.17 177.92 1vh6 n THR 98 N 5.04 0.22 0.57 1.71 -2.24 -1.26 -3.37 114.28 114.95 1vh6 n THR 98 Ca -0.13 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1vh6 n THR 98 Cb 0.49 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1vh6 n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vh6 n GLY 99 N 1.42 0.98 1.80 3.38 0.00 -1.26 -1.73 105.19 109.78 1vh6 n GLY 99 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1vh6 n GLY 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vh6 n LEU 101 N 0.42 0.00 -0.25 0.99 4.77 -1.22 -1.58 117.00 120.14 1vh6 n LEU 101 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1vh6 n LEU 101 Cb 0.20 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.50 1vh6 n LEU 101 CO 0.00 0.00 1.24 0.00 -1.33 0.00 0.00 177.39 177.30 1vh6 h ALA 102 N 0.00 1.41 0.82 -1.18 0.00 -1.66 0.11 119.26 118.75 1vh6 h ALA 102 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1vh6 h ALA 102 Cb 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1vh6 h ALA 102 CO 0.00 0.54 -0.47 1.49 0.00 0.00 0.00 179.25 180.80 1vh6 h GLU 103 N 1.09 -1.16 -0.86 0.00 4.81 -1.57 -1.09 114.58 115.80 1vh6 h GLU 103 Ca 0.29 0.08 0.12 0.00 -0.13 0.00 0.00 59.36 59.72 1vh6 h GLU 103 Cb -0.10 0.26 -0.08 0.00 0.63 0.00 0.00 28.75 29.46 1vh6 h GLU 103 CO -0.06 -0.77 0.49 0.28 -0.73 0.00 0.00 179.01 178.21 1vh6 h VAL 104 N -1.20 0.84 -0.67 0.32 2.07 -1.78 0.36 116.25 116.20 1vh6 h VAL 104 Ca -0.11 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.22 1vh6 h VAL 104 Cb 0.95 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1vh6 h VAL 104 CO 0.13 0.14 0.44 -0.08 0.02 0.00 0.00 177.57 178.22 1vh6 h GLU 105 N 0.76 0.61 -0.34 1.57 4.81 -0.51 -0.85 114.58 120.63 1vh6 h GLU 105 Ca 0.44 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.55 1vh6 h GLU 105 Cb 0.50 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1vh6 h GLU 105 CO -0.29 0.40 -0.12 0.78 -0.73 0.00 0.00 179.01 179.05 1vh6 h GLY 106 N 0.63 0.74 0.87 1.92 0.00 0.39 -1.65 103.07 105.98 1vh6 h GLY 106 Ca 0.30 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1vh6 h GLY 106 CO -0.10 0.58 -0.05 -0.97 0.00 0.00 0.00 176.54 176.01 1vh6 h TYR 107 N 0.46 -0.12 -0.65 5.60 0.99 -0.96 -2.23 116.97 120.05 1vh6 h TYR 107 Ca 0.08 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.84 1vh6 h TYR 107 Cb 0.64 0.04 -0.04 0.00 1.00 0.00 0.00 36.73 38.38 1vh6 h TYR 107 CO 0.06 0.04 0.43 0.28 -0.00 0.00 0.00 178.16 178.96 1vh6 h VAL 108 N -0.26 1.09 -0.58 -2.88 2.07 -1.20 0.08 116.25 114.57 1vh6 h VAL 108 Ca -0.01 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1vh6 h VAL 108 Cb 0.22 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1vh6 h VAL 108 CO 0.02 0.14 -0.02 0.74 0.02 0.00 0.00 177.57 178.47 1vh6 h THR 109 N 0.77 1.26 -0.19 2.57 2.02 -1.11 0.67 112.91 118.91 1vh6 h THR 109 Ca 0.26 -1.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.24 1vh6 h THR 109 Cb 0.08 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1vh6 h THR 109 CO -0.07 0.42 -0.02 0.44 0.37 0.00 0.00 175.52 176.66 1vh6 h ASP 110 N 0.94 0.35 -0.45 4.18 5.19 -0.66 -1.14 116.42 124.83 1vh6 h ASP 110 Ca 0.16 -0.33 -0.04 0.00 -0.62 0.00 0.00 57.03 56.20 1vh6 h ASP 110 Cb 0.57 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1vh6 h ASP 110 CO 0.03 0.60 0.14 -0.26 -3.12 0.00 0.00 179.24 176.63 1vh6 h PHE 111 N 0.09 0.78 -0.34 4.55 0.05 -0.90 -1.09 116.94 120.09 1vh6 h PHE 111 Ca 0.05 -0.06 -0.14 0.00 3.82 0.00 0.00 57.97 61.64 1vh6 h PHE 111 Cb 0.43 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 38.14 1vh6 h PHE 111 CO 0.04 0.66 -0.37 -0.09 -0.18 0.00 0.00 178.31 178.37 1vh6 h ARG 112 N 0.75 0.79 -0.12 1.51 2.43 -0.71 -1.73 114.38 117.29 1vh6 h ARG 112 Ca 0.17 -0.40 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 1vh6 h ARG 112 Cb 0.26 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1vh6 h ARG 112 CO -0.00 1.02 0.00 -0.44 -1.51 0.00 0.00 179.97 179.04 1vh6 h ASP 113 N 0.65 0.21 -0.70 -3.80 3.32 -0.82 0.25 116.42 115.54 1vh6 h ASP 113 Ca 0.06 -0.31 0.06 0.00 0.02 0.00 0.00 57.03 56.86 1vh6 h ASP 113 Cb 0.92 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 1vh6 h ASP 113 CO 0.08 0.47 0.46 0.00 -1.72 0.00 0.00 179.24 178.53 1vh6 h ALA 114 N 0.75 1.72 -0.07 3.45 0.00 -1.16 0.88 119.26 124.83 1vh6 h ALA 114 Ca 0.04 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1vh6 h ALA 114 Cb 0.36 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.98 1vh6 h ALA 114 CO 0.01 0.17 -0.93 2.35 0.00 0.00 0.00 179.25 180.85 1vh6 h TRP 115 N 0.72 1.04 0.00 0.00 2.91 -1.08 -1.40 115.95 118.14 1vh6 h TRP 115 Ca 0.30 -0.52 -0.01 0.00 1.13 0.00 0.00 58.89 59.80 1vh6 h TRP 115 Cb 0.25 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 28.77 1vh6 h TRP 115 CO -0.00 1.35 -0.03 -0.22 -1.03 0.00 0.00 178.44 178.51 1vh6 h LYS 116 N 0.45 0.00 0.05 2.65 3.64 0.84 -1.96 116.57 122.24 1vh6 h LYS 116 Ca -0.09 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1vh6 h LYS 116 Cb 1.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1vh6 h LYS 116 CO 0.18 0.03 -0.02 1.96 -2.27 0.00 0.00 179.45 179.33 1vh6 h GLN 117 N 0.00 -0.06 -0.81 1.90 7.50 -0.62 -3.32 115.11 119.70 1vh6 h GLN 117 Ca -0.00 0.00 0.17 0.00 0.50 0.00 0.00 58.65 59.33 1vh6 h GLN 117 Cb 0.08 0.01 -0.15 0.00 0.05 0.00 0.00 27.48 27.47 1vh6 h GLN 117 CO 0.00 0.48 -0.14 0.00 -1.50 0.00 0.00 178.83 177.67 1vh6 h ALA 118 N -0.36 0.63 0.00 3.87 0.00 -0.85 -3.51 119.26 119.05 1vh6 h ALA 118 Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1vh6 h ALA 118 Cb 0.57 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1vh6 h ALA 118 CO 0.01 -0.42 0.00 -0.89 0.00 0.00 0.00 179.25 177.95