#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tro h MET 11 N 0.00 0.00 -0.35 0.00 -0.00 -2.05 -2.64 114.93 109.88 1tro h MET 11 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.67 1tro h MET 11 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1tro h MET 11 CO 0.00 0.07 0.08 0.00 -0.00 0.00 0.00 176.91 177.06 1tro h ALA 12 N 1.93 0.46 -0.74 -3.00 0.00 -2.05 -0.25 119.26 115.62 1tro h ALA 12 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1tro h ALA 12 Cb 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1tro h ALA 12 CO 0.01 0.13 0.49 0.93 0.00 0.00 0.00 179.25 180.81 1tro h GLU 13 N 0.41 0.90 -0.12 0.00 5.08 -1.91 -1.39 114.58 117.55 1tro h GLU 13 Ca 0.11 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.20 1tro h GLU 13 Cb 0.30 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1tro h GLU 13 CO 0.00 0.60 -0.79 1.49 -1.00 0.00 0.00 179.01 179.31 1tro h GLU 14 N 0.93 0.70 0.00 2.33 4.22 -1.33 -2.54 114.58 118.89 1tro h GLU 14 Ca 0.29 -0.58 -0.03 0.00 0.08 0.00 0.00 59.36 59.12 1tro h GLU 14 Cb -0.00 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1tro h GLU 14 CO -0.08 1.19 -0.12 0.00 -2.18 0.00 0.00 179.01 177.83 1tro h ARG 15 N 0.47 0.00 -0.20 1.92 2.47 -0.71 -2.77 114.38 115.56 1tro h ARG 15 Ca -0.05 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.50 1tro h ARG 15 Cb 1.41 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.73 1tro h ARG 15 CO 0.16 0.12 -0.56 1.25 0.56 0.00 0.00 179.97 181.50 1tro h HIS 16 N 0.00 0.78 0.00 3.04 2.76 -0.89 -1.58 115.15 119.27 1tro h HIS 16 Ca -0.00 -0.28 -0.12 0.00 -2.20 0.00 0.00 60.37 57.77 1tro h HIS 16 Cb 0.57 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 1tro h HIS 16 CO 0.00 1.03 -0.55 1.96 -1.30 0.00 0.00 177.93 179.08 1tro h GLN 17 N 0.47 0.00 0.06 5.26 1.08 -1.20 -1.99 115.11 118.80 1tro h GLN 17 Ca 0.01 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.94 1tro h GLN 17 Cb 1.12 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.57 1tro h GLN 17 CO 0.11 0.55 -1.12 0.93 -0.95 0.00 0.00 178.83 178.35 1tro h GLU 18 N 0.00 0.56 -0.27 1.46 4.39 -1.48 -2.32 114.58 116.92 1tro h GLU 18 Ca -0.01 -0.68 0.06 0.00 0.34 0.00 0.00 59.36 59.07 1tro h GLU 18 Cb 1.10 0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 29.91 1tro h GLU 18 CO 0.07 1.28 -0.08 2.35 -1.16 0.00 0.00 179.01 181.47 1tro h TRP 19 N 0.28 -0.19 -0.78 4.33 2.91 -1.05 -1.07 115.95 120.39 1tro h TRP 19 Ca -0.14 0.03 0.08 0.00 1.13 0.00 0.00 58.89 59.99 1tro h TRP 19 Cb 1.78 0.12 -0.07 0.00 -0.51 0.00 0.00 29.16 30.49 1tro h TRP 19 CO 0.09 -0.14 0.44 -0.07 -1.03 0.00 0.00 178.44 177.74 1tro h LEU 20 N -0.02 0.64 -0.65 0.65 3.38 -1.16 -0.92 115.31 117.23 1tro h LEU 20 Ca 0.13 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.24 1tro h LEU 20 Cb 0.23 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1tro h LEU 20 CO -0.29 0.39 0.26 0.03 0.09 0.00 0.00 178.44 178.92 1tro h ARG 21 N 0.77 0.45 -0.83 1.13 3.08 -0.96 -2.79 114.38 115.23 1tro h ARG 21 Ca 0.37 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.43 1tro h ARG 21 Cb 0.29 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1tro h ARG 21 CO -0.22 0.29 0.54 0.35 -1.07 0.00 0.00 179.97 179.86 1tro h PHE 22 N 0.46 0.97 -0.29 3.04 3.57 0.12 -1.50 116.94 123.31 1tro h PHE 22 Ca 0.33 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 1tro h PHE 22 Cb 0.40 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1tro h PHE 22 CO -0.15 0.55 0.17 0.28 -2.23 0.00 0.00 178.31 176.92 1tro h VAL 23 N 0.99 1.12 -0.13 1.41 2.07 -1.24 0.78 116.25 121.25 1tro h VAL 23 Ca 0.34 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1tro h VAL 23 Cb 0.09 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1tro h VAL 23 CO -0.11 0.11 0.01 -0.78 0.02 0.00 0.00 177.57 176.83 1tro h ASP 24 N 0.36 -0.02 -0.52 0.57 3.58 -1.34 -1.58 116.42 117.47 1tro h ASP 24 Ca 0.10 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.62 1tro h ASP 24 Cb 0.04 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.08 1tro h ASP 24 CO -0.02 0.01 0.27 0.25 -2.88 0.00 0.00 179.24 176.87 1tro h LEU 25 N 0.06 0.38 -0.50 2.28 5.85 -0.80 -2.39 115.31 120.19 1tro h LEU 25 Ca 0.06 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1tro h LEU 25 Cb 0.06 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1tro h LEU 25 CO -0.09 0.26 0.33 0.25 -0.34 0.00 0.00 178.44 178.85 1tro h LEU 26 N 0.51 0.58 -0.82 2.25 5.85 -0.78 -0.24 115.31 122.66 1tro h LEU 26 Ca 0.23 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.07 1tro h LEU 26 Cb 0.14 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 40.93 1tro h LEU 26 CO -0.16 0.42 0.41 0.50 -0.34 0.00 0.00 178.44 179.27 1tro h LYS 27 N 0.68 0.59 -0.07 1.25 3.64 -0.99 -1.17 116.57 120.50 1tro h LYS 27 Ca 0.18 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 1tro h LYS 27 Cb -0.07 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1tro h LYS 27 CO -0.04 0.39 -0.51 -0.91 -2.27 0.00 0.00 179.45 176.12 1tro h ASN 28 N 0.61 0.19 -0.25 4.20 4.21 -0.90 -2.89 115.58 120.75 1tro h ASN 28 Ca 0.44 -0.09 -0.05 0.00 1.21 0.00 0.00 56.30 57.81 1tro h ASN 28 Cb 0.59 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.73 1tro h ASN 28 CO -0.35 0.67 -0.04 0.00 -1.29 0.00 0.00 177.43 176.42 1tro h ALA 29 N 1.34 0.34 -0.84 -0.83 0.00 -0.52 -2.72 119.26 116.03 1tro h ALA 29 Ca 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.77 1tro h ALA 29 Cb 0.95 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 1tro h ALA 29 CO 0.08 0.11 0.47 1.88 0.00 0.00 0.00 179.25 181.79 1tro h TYR 30 N 0.22 0.85 0.00 0.00 0.05 -1.03 -0.84 116.97 116.22 1tro h TYR 30 Ca 0.07 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1tro h TYR 30 Cb 0.48 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.97 1tro h TYR 30 CO 0.05 0.32 0.00 1.96 -1.05 0.00 0.00 178.16 179.43 1tro h GLN 31 N 0.76 0.00 -0.03 4.88 4.20 -1.32 -2.96 115.11 120.64 1tro h GLN 31 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 1tro h GLN 31 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1tro h GLN 31 CO -0.27 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 177.98 1tro n ASN 32 N -2.98 2.32 -3.31 1.46 3.02 -0.81 -5.00 115.26 109.97 1tro n ASN 32 Ca -0.02 -2.56 -0.24 0.00 -0.03 0.00 0.00 54.58 51.73 1tro n ASN 32 Cb 0.12 -0.24 0.01 0.00 -0.61 0.00 0.00 39.78 39.05 1tro n ASN 32 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1tro n ASP 33 N -0.88 -4.57 -0.55 6.41 8.00 -0.96 -4.87 116.55 119.13 1tro n ASP 33 Ca 0.09 -0.40 0.07 0.00 0.71 0.00 0.00 54.79 55.26 1tro n ASP 33 Cb 0.48 -3.73 0.17 0.00 -0.02 0.00 0.00 41.12 38.02 1tro n ASP 33 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1tro n LEU 34 N -3.92 2.38 -0.15 0.64 4.77 -0.39 -4.71 117.00 115.62 1tro n LEU 34 Ca -0.04 -3.44 -0.11 0.00 -0.03 0.00 0.00 56.01 52.39 1tro n LEU 34 Cb 0.56 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1tro n LEU 34 CO 0.53 1.12 0.73 1.12 -1.33 0.00 0.00 177.39 179.55 1tro h HIS 35 N 0.72 0.93 0.99 -1.77 2.07 -1.86 -1.89 115.15 114.33 1tro h HIS 35 Ca -0.02 -0.20 -0.05 0.00 -2.85 0.00 0.00 60.37 57.25 1tro h HIS 35 Cb 1.09 -0.23 0.01 0.00 2.57 0.00 0.00 27.41 30.86 1tro h HIS 35 CO 0.50 0.93 -0.47 -0.07 -3.07 0.00 0.00 177.93 175.75 1tro h LEU 36 N 0.65 -1.12 -0.70 6.12 -0.00 -1.93 0.23 115.31 118.56 1tro h LEU 36 Ca 0.11 0.04 0.09 0.00 -0.00 0.00 0.00 57.88 58.12 1tro h LEU 36 Cb 0.63 0.29 -0.07 0.00 -0.00 0.00 0.00 40.66 41.51 1tro h LEU 36 CO 0.04 -0.80 0.35 -0.65 -0.00 0.00 0.00 178.44 177.38 1tro h PRO 37 N -1.33 0.57 -0.28 1.13 0.11 -1.91 -1.25 132.00 129.03 1tro h PRO 37 Ca -0.14 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.00 1tro h PRO 37 Cb 1.01 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.93 1tro h PRO 37 CO 0.22 0.38 -0.13 1.25 -0.21 0.00 0.00 178.00 179.51 1tro h LEU 38 N 0.59 -0.43 -0.83 2.35 5.85 -1.06 -2.06 115.31 119.73 1tro h LEU 38 Ca 0.34 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 59.11 1tro h LEU 38 Cb 0.36 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1tro h LEU 38 CO -0.27 -0.16 0.18 -0.07 -0.34 0.00 0.00 178.44 177.78 1tro h LEU 39 N -0.08 0.99 -1.60 2.25 3.38 -0.27 -1.17 115.31 118.81 1tro h LEU 39 Ca 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1tro h LEU 39 Cb 0.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1tro h LEU 39 CO -0.34 0.95 0.06 0.78 0.09 0.00 0.00 178.44 179.98 1tro h ASN 40 N 1.01 0.29 0.06 -0.43 -0.26 -1.11 -2.13 115.58 113.00 1tro h ASN 40 Ca 0.22 -0.03 -0.21 0.00 -0.56 0.00 0.00 56.30 55.72 1tro h ASN 40 Cb 0.33 -0.07 0.02 0.00 -1.06 0.00 0.00 38.32 37.54 1tro h ASN 40 CO -0.00 0.29 -0.86 0.25 -1.06 0.00 0.00 177.43 176.05 1tro h LEU 41 N 0.32 0.66 0.00 1.61 5.85 -1.02 -3.38 115.31 119.35 1tro h LEU 41 Ca 0.08 -0.81 -0.05 0.00 0.84 0.00 0.00 57.88 57.94 1tro h LEU 41 Cb 0.12 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1tro h LEU 41 CO -0.00 1.39 -0.65 0.24 -0.34 0.00 0.00 178.44 179.08 1tro h MET 42 N 0.00 0.00 -6.20 1.25 2.86 -1.10 -3.47 114.93 108.27 1tro h MET 42 Ca -0.12 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.94 1tro h MET 42 Cb 1.58 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 33.12 1tro h MET 42 CO 0.17 0.16 -0.69 -0.51 1.06 0.00 0.00 176.91 177.10 1tro s LEU 43 N -5.94 2.95 0.24 1.22 1.43 -0.81 -5.09 118.68 112.69 1tro s LEU 43 Ca 0.02 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 1tro s LEU 43 Cb 0.08 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 1tro s LEU 43 CO 0.75 0.01 0.42 0.42 0.23 0.00 0.00 176.35 178.18 1tro s THR 44 N -2.40 5.19 0.18 5.49 -4.23 -1.26 -4.74 115.64 113.87 1tro s THR 44 Ca 0.31 -0.48 -0.26 0.00 -1.18 0.00 0.00 61.69 60.07 1tro s THR 44 Cb -0.06 -3.78 0.03 0.00 1.34 0.00 0.00 72.50 70.03 1tro s THR 44 CO 0.18 -0.29 1.53 -2.65 -0.54 0.00 0.00 174.62 172.85 1tro n PRO 45 N -1.04 -0.37 -0.27 3.99 -0.02 -1.26 -1.94 135.00 134.09 1tro n PRO 45 Ca -0.05 1.50 0.07 0.00 -2.02 0.00 0.00 63.50 63.01 1tro n PRO 45 Cb 0.55 -2.22 0.22 0.00 -0.02 0.00 0.00 33.50 32.03 1tro n PRO 45 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1tro h ASP 46 N 0.00 0.23 -0.22 2.55 3.32 -2.00 -2.17 116.42 118.13 1tro h ASP 46 Ca 0.22 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1tro h ASP 46 Cb 0.47 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1tro h ASP 46 CO -0.95 0.04 0.05 -0.33 -1.72 0.00 0.00 179.24 176.33 1tro h GLU 47 N 0.39 0.35 -0.75 3.56 5.08 -1.88 -2.06 114.58 119.28 1tro h GLU 47 Ca 0.46 -0.09 0.09 0.00 -1.00 0.00 0.00 59.36 58.81 1tro h GLU 47 Cb 0.76 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.90 1tro h GLU 47 CO -0.47 0.48 0.41 0.00 -1.00 0.00 0.00 179.01 178.43 1tro h ARG 48 N 0.17 0.68 -0.51 2.33 3.08 -1.20 -1.16 114.38 117.76 1tro h ARG 48 Ca 0.07 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1tro h ARG 48 Cb 0.29 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1tro h ARG 48 CO 0.00 0.45 0.05 0.93 -1.07 0.00 0.00 179.97 180.33 1tro h GLU 49 N 0.70 0.83 -0.20 0.04 5.08 -1.34 -2.40 114.58 117.28 1tro h GLU 49 Ca 0.36 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 1tro h GLU 49 Cb 0.33 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1tro h GLU 49 CO -0.24 0.80 -0.57 0.00 -1.00 0.00 0.00 179.01 178.00 1tro h ALA 50 N 1.27 0.63 -0.52 3.43 0.00 -1.01 -1.92 119.26 121.14 1tro h ALA 50 Ca 0.16 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1tro h ALA 50 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1tro h ALA 50 CO 0.01 0.69 -0.09 -0.07 0.00 0.00 0.00 179.25 179.80 1tro h LEU 51 N 0.47 0.94 -0.80 0.00 3.38 -1.03 -1.60 115.31 116.68 1tro h LEU 51 Ca 0.00 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.72 1tro h LEU 51 Cb 1.13 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1tro h LEU 51 CO 0.11 1.05 0.50 1.23 0.09 0.00 0.00 178.44 181.42 1tro h GLY 52 N 0.97 1.18 0.86 0.83 0.00 -1.07 -2.60 103.07 103.23 1tro h GLY 52 Ca 0.14 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1tro h GLY 52 CO 0.04 0.30 0.03 -0.84 0.00 0.00 0.00 176.54 176.07 1tro h THR 53 N 0.96 1.13 -0.30 4.70 2.02 -0.86 -2.96 112.91 117.60 1tro h THR 53 Ca 0.33 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 67.13 1tro h THR 53 Cb 0.07 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1tro h THR 53 CO -0.13 0.11 0.20 0.03 0.37 0.00 0.00 175.52 176.10 1tro h ARG 54 N -0.05 0.33 -0.40 6.66 3.08 -1.03 -1.82 114.38 121.16 1tro h ARG 54 Ca 0.02 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1tro h ARG 54 Cb 0.16 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1tro h ARG 54 CO -0.00 0.22 -0.24 0.28 -1.07 0.00 0.00 179.97 179.16 1tro h VAL 55 N 0.34 1.27 -0.65 2.04 2.07 -1.35 -1.07 116.25 118.90 1tro h VAL 55 Ca 0.12 -1.37 -0.09 0.00 0.82 0.00 0.00 66.70 66.19 1tro h VAL 55 Cb 0.06 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1tro h VAL 55 CO -0.03 0.46 0.07 0.03 0.02 0.00 0.00 177.57 178.12 1tro h ARG 56 N 0.70 1.09 0.38 1.57 2.47 -1.25 -1.13 114.38 118.21 1tro h ARG 56 Ca 0.09 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.48 1tro h ARG 56 Cb 0.76 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1tro h ARG 56 CO 0.06 1.02 -0.18 0.82 0.56 0.00 0.00 179.97 182.25 1tro h ILE 57 N 1.01 0.63 -0.67 2.04 2.04 -1.10 -1.87 117.51 119.59 1tro h ILE 57 Ca 0.19 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1tro h ILE 57 Cb 0.48 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1tro h ILE 57 CO 0.02 0.03 0.43 0.58 0.00 0.00 0.00 178.15 179.21 1tro h VAL 58 N -0.59 1.12 -0.41 1.67 2.07 -1.10 -1.67 116.25 117.33 1tro h VAL 58 Ca -0.05 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1tro h VAL 58 Cb 0.44 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1tro h VAL 58 CO 0.09 0.16 0.24 -0.08 0.02 0.00 0.00 177.57 177.99 1tro h GLU 59 N 0.85 0.57 -0.08 1.57 4.81 -1.12 -2.20 114.58 118.98 1tro h GLU 59 Ca 0.26 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.28 1tro h GLU 59 Cb -0.03 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1tro h GLU 59 CO -0.09 0.43 -0.60 0.93 -0.73 0.00 0.00 179.01 178.95 1tro h GLU 60 N 0.54 0.28 -0.10 1.92 4.39 -1.15 -1.22 114.58 119.25 1tro h GLU 60 Ca 0.15 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1tro h GLU 60 Cb 0.02 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1tro h GLU 60 CO -0.03 0.80 0.06 -0.07 -1.16 0.00 0.00 179.01 178.61 1tro h LEU 61 N 0.21 0.11 -1.00 1.33 3.38 -1.27 -2.29 115.31 115.78 1tro h LEU 61 Ca -0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1tro h LEU 61 Cb 1.12 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1tro h LEU 61 CO 0.10 0.11 0.33 -0.07 0.09 0.00 0.00 178.44 178.99 1tro h LEU 62 N 0.11 0.95 -0.53 1.67 3.38 -1.28 -3.23 115.31 116.38 1tro h LEU 62 Ca 0.03 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1tro h LEU 62 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1tro h LEU 62 CO -0.01 0.81 -0.05 -0.09 0.09 0.00 0.00 178.44 179.19 1tro h ARG 63 N 1.03 0.97 -2.10 1.13 2.43 -1.11 -3.47 114.38 113.25 1tro h ARG 63 Ca 0.25 -0.34 -0.23 0.00 -0.81 0.00 0.00 59.98 58.85 1tro h ARG 63 Cb 0.13 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1tro h ARG 63 CO -0.03 1.01 -0.32 0.41 -1.51 0.00 0.00 179.97 179.53 1tro n GLY 64 N -0.32 -0.07 0.52 2.80 0.00 -0.87 -4.91 105.19 102.33 1tro n GLY 64 Ca 0.01 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.79 1tro n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tro n GLU 65 N -2.32 1.55 -4.26 1.61 1.02 -1.26 -4.93 120.64 112.05 1tro n GLU 65 Ca -0.11 -1.10 -0.21 0.00 -0.02 0.00 0.00 57.16 55.71 1tro n GLU 65 Cb 0.59 -1.38 -0.12 0.00 -0.02 0.00 0.00 31.44 30.52 1tro n GLU 65 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1tro s MET 66 N -2.06 1.05 0.85 3.49 -1.94 -1.26 -5.14 119.30 114.29 1tro s MET 66 Ca 0.18 -1.15 -0.12 0.00 -1.71 0.00 0.00 55.69 52.89 1tro s MET 66 Cb 0.16 -1.18 0.10 0.00 2.01 0.00 0.00 34.83 35.92 1tro s MET 66 CO 0.43 0.26 1.12 -1.54 -0.01 0.00 0.00 175.02 175.28 1tro s SER 67 N -2.02 4.06 0.34 3.03 1.04 -1.26 -4.87 113.70 114.01 1tro s SER 67 Ca 0.06 1.13 0.10 0.00 0.48 0.00 0.00 55.95 57.71 1tro s SER 67 Cb -0.09 -1.79 0.61 0.00 0.10 0.00 0.00 66.02 64.86 1tro s SER 67 CO 0.04 -2.22 1.78 1.56 0.98 0.00 0.00 173.24 175.38 1tro h GLN 68 N -1.27 0.13 -0.39 4.02 4.20 -2.00 -1.85 115.11 117.96 1tro h GLN 68 Ca -0.49 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.11 1tro h GLN 68 Cb 1.30 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 1tro h GLN 68 CO 0.61 0.48 0.02 0.00 -0.67 0.00 0.00 178.83 179.27 1tro h ARG 69 N 0.12 0.67 -0.29 1.46 3.08 -2.00 -1.15 114.38 116.27 1tro h ARG 69 Ca 0.01 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 59.88 1tro h ARG 69 Cb 0.69 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 1tro h ARG 69 CO 0.05 0.75 0.13 0.93 -1.07 0.00 0.00 179.97 180.76 1tro h GLU 70 N 0.50 0.27 -0.19 0.04 5.08 -1.83 -2.95 114.58 115.50 1tro h GLU 70 Ca 0.11 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1tro h GLU 70 Cb 0.43 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1tro h GLU 70 CO 0.02 0.18 0.08 1.25 -1.00 0.00 0.00 179.01 179.53 1tro h LEU 71 N 0.28 0.11 -1.08 1.33 5.85 -1.28 -0.66 115.31 119.86 1tro h LEU 71 Ca 0.12 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1tro h LEU 71 Cb 0.05 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1tro h LEU 71 CO -0.10 0.09 0.28 0.07 -0.34 0.00 0.00 178.44 178.45 1tro h LYS 72 N 0.18 0.93 -0.39 1.25 5.09 -1.20 -0.89 116.57 121.55 1tro h LYS 72 Ca 0.08 -0.14 -0.10 0.00 0.09 0.00 0.00 60.65 60.58 1tro h LYS 72 Cb 0.03 -0.17 -0.02 0.00 0.10 0.00 0.00 32.23 32.18 1tro h LYS 72 CO -0.07 0.75 -0.16 -0.91 -2.09 0.00 0.00 179.45 176.97 1tro h ASN 73 N 0.92 0.71 -0.33 7.07 -0.26 -1.37 0.57 115.58 122.89 1tro h ASN 73 Ca 0.22 -0.23 -0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1tro h ASN 73 Cb 0.14 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 1tro h ASN 73 CO -0.02 0.88 0.19 -0.08 -1.06 0.00 0.00 177.43 177.34 1tro h GLU 74 N 0.64 0.46 0.00 0.81 4.57 -0.28 -3.15 114.58 117.63 1tro h GLU 74 Ca 0.10 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 58.09 1tro h GLU 74 Cb 0.63 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 1tro h GLU 74 CO 0.04 0.37 -0.66 -0.07 -1.18 0.00 0.00 179.01 177.52 1tro h LEU 75 N 0.42 0.00 0.23 1.64 3.38 -1.14 -3.47 115.31 116.37 1tro h LEU 75 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1tro h LEU 75 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1tro h LEU 75 CO -0.02 0.66 -0.04 0.61 0.09 0.00 0.00 178.44 179.74 1tro n GLY 76 N 1.19 0.33 3.97 0.83 0.00 0.02 -5.01 105.19 106.51 1tro n GLY 76 Ca 0.01 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 1tro n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tro s ALA 77 N -2.08 3.97 0.22 4.61 0.00 -0.21 -5.03 121.76 123.23 1tro s ALA 77 Ca 0.00 -1.33 -0.20 0.00 0.00 0.00 0.00 51.96 50.43 1tro s ALA 77 Cb 0.00 -2.01 -0.08 0.00 0.00 0.00 0.00 23.12 21.02 1tro s ALA 77 CO 0.00 -0.59 0.73 0.20 0.00 0.00 0.00 175.76 176.09 1tro s GLY 78 N -4.37 2.63 0.55 0.00 0.00 -1.26 -4.64 107.32 100.23 1tro s GLY 78 Ca 0.55 0.18 0.22 0.00 0.00 0.00 0.00 44.72 45.66 1tro s GLY 78 CO 0.37 0.54 2.15 1.19 0.00 0.00 0.00 173.10 177.35 1tro h ILE 79 N 2.78 0.79 -0.12 0.90 6.09 -1.95 -1.55 117.51 124.45 1tro h ILE 79 Ca -0.48 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 62.97 1tro h ILE 79 Cb 1.19 0.94 -0.01 0.00 0.47 0.00 0.00 36.82 39.42 1tro h ILE 79 CO 0.65 0.00 -0.11 0.00 -3.07 0.00 0.00 178.15 175.62 1tro h ALA 80 N 1.93 1.60 -0.47 0.18 0.00 -1.99 -1.59 119.26 118.92 1tro h ALA 80 Ca 0.05 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1tro h ALA 80 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1tro h ALA 80 CO -0.00 0.30 -0.20 1.15 0.00 0.00 0.00 179.25 180.50 1tro h THR 81 N 0.18 1.27 -0.24 0.00 2.02 -1.68 -1.60 112.91 112.86 1tro h THR 81 Ca 0.04 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 1tro h THR 81 Cb 0.31 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1tro h THR 81 CO 0.02 0.46 0.14 0.40 0.37 0.00 0.00 175.52 176.91 1tro h ILE 82 N 0.81 1.10 -0.93 3.11 1.08 -1.35 -2.55 117.51 118.79 1tro h ILE 82 Ca 0.11 -0.25 0.17 0.00 -0.39 0.00 0.00 64.86 64.50 1tro h ILE 82 Cb 0.75 0.84 -0.08 0.00 -3.07 0.00 0.00 36.82 35.26 1tro h ILE 82 CO 0.06 0.10 0.60 0.74 -0.69 0.00 0.00 178.15 178.95 1tro h THR 83 N 0.29 0.76 -0.58 -0.27 2.02 -1.24 0.11 112.91 114.00 1tro h THR 83 Ca 0.08 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 1tro h THR 83 Cb 0.04 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 1tro h THR 83 CO -0.01 0.12 -0.03 0.03 0.37 0.00 0.00 175.52 175.99 1tro h ARG 84 N 0.64 1.03 -0.34 6.66 3.08 -0.89 0.10 114.38 124.66 1tro h ARG 84 Ca 0.49 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 1tro h ARG 84 Cb 0.89 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1tro h ARG 84 CO -0.24 1.02 0.03 0.78 -1.07 0.00 0.00 179.97 180.49 1tro h GLY 85 N 0.98 0.62 0.87 0.04 0.00 -0.96 0.46 103.07 105.08 1tro h GLY 85 Ca 0.16 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1tro h GLY 85 CO 0.03 0.40 -0.18 0.23 0.00 0.00 0.00 176.54 177.02 1tro h SER 86 N 0.40 -0.47 -0.98 0.19 0.87 -0.32 -0.44 113.55 112.80 1tro h SER 86 Ca 0.10 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1tro h SER 86 Cb 0.40 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.46 1tro h SER 86 CO 0.01 -0.29 0.61 0.78 -0.53 0.00 0.00 176.83 177.42 1tro h ASN 87 N -0.45 1.15 -0.62 6.23 -0.26 -0.75 -1.62 115.58 119.25 1tro h ASN 87 Ca -0.02 -0.05 -0.08 0.00 -0.56 0.00 0.00 56.30 55.58 1tro h ASN 87 Cb 0.38 -0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 1tro h ASN 87 CO 0.01 0.86 0.07 0.28 -1.06 0.00 0.00 177.43 177.59 1tro h SER 88 N 1.34 1.03 -0.68 5.81 0.02 -0.59 -2.83 113.55 117.65 1tro h SER 88 Ca 0.35 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1tro h SER 88 Cb -0.10 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.13 1tro h SER 88 CO -0.07 1.04 0.32 -0.07 -1.14 0.00 0.00 176.83 176.91 1tro h LEU 89 N 0.99 0.90 -2.51 5.07 -0.00 -0.60 -2.54 115.31 116.62 1tro h LEU 89 Ca 0.19 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1tro h LEU 89 Cb 0.48 -0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1tro h LEU 89 CO 0.02 0.79 -0.00 0.11 -0.00 0.00 0.00 178.44 179.35 1tro h LYS 90 N 0.95 0.00 0.00 1.13 1.57 -1.15 -2.28 116.57 116.79 1tro h LYS 90 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1tro h LYS 90 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1tro h LYS 90 CO -0.03 0.00 -0.69 0.00 -0.57 0.00 0.00 179.45 178.17 1tro n ALA 91 N -2.30 3.67 -1.81 3.86 0.00 -0.98 -4.91 120.51 118.03 1tro n ALA 91 Ca -0.03 -0.39 -0.33 0.00 0.00 0.00 0.00 53.44 52.69 1tro n ALA 91 Cb 0.08 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 1tro n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tro s ALA 92 N -3.05 3.00 0.44 0.00 0.00 -0.86 -5.00 121.76 116.30 1tro s ALA 92 Ca 0.09 0.41 -0.25 0.00 0.00 0.00 0.00 51.96 52.20 1tro s ALA 92 Cb 0.16 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 20.03 1tro s ALA 92 CO 0.75 -0.05 1.39 -1.25 0.00 0.00 0.00 175.76 176.60 1tro s PRO 93 N -3.36 3.73 0.28 0.00 0.04 -1.26 -4.87 135.00 129.55 1tro s PRO 93 Ca 0.63 2.34 0.02 0.00 0.04 0.00 0.00 61.00 64.02 1tro s PRO 93 Cb -0.11 -2.66 0.63 0.00 0.04 0.00 0.00 34.50 32.40 1tro s PRO 93 CO 0.18 -0.76 1.75 0.28 0.04 0.00 0.00 177.00 178.49 1tro h VAL 94 N 2.29 0.65 -0.90 -0.36 2.07 -1.95 -2.35 116.25 115.70 1tro h VAL 94 Ca -0.51 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1tro h VAL 94 Cb 1.26 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1tro h VAL 94 CO 0.61 0.11 0.58 -0.08 0.02 0.00 0.00 177.57 178.81 1tro h GLU 95 N 0.59 1.20 -0.23 1.57 4.81 -2.00 -1.14 114.58 119.38 1tro h GLU 95 Ca 0.51 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1tro h GLU 95 Cb 0.82 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1tro h GLU 95 CO -0.41 0.81 0.13 1.25 -0.73 0.00 0.00 179.01 180.06 1tro h LEU 96 N 1.23 0.29 -0.65 1.64 5.85 -1.80 -1.82 115.31 120.04 1tro h LEU 96 Ca 0.33 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1tro h LEU 96 Cb -0.12 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1tro h LEU 96 CO -0.07 0.27 0.29 0.03 -0.34 0.00 0.00 178.44 178.62 1tro h ARG 97 N 0.28 0.96 -0.37 1.25 3.08 -1.13 0.83 114.38 119.28 1tro h ARG 97 Ca 0.08 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1tro h ARG 97 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1tro h ARG 97 CO -0.01 0.78 0.05 1.96 -1.07 0.00 0.00 179.97 181.68 1tro h GLN 98 N 0.91 0.63 -0.18 0.04 4.20 -1.21 -1.69 115.11 117.81 1tro h GLN 98 Ca 0.22 -0.17 0.05 0.00 0.06 0.00 0.00 58.65 58.80 1tro h GLN 98 Cb 0.16 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 1tro h GLN 98 CO -0.02 0.70 -0.11 2.35 -0.67 0.00 0.00 178.83 181.07 1tro h TRP 99 N 0.46 -0.27 -0.57 2.96 7.01 -1.02 -1.99 115.95 122.54 1tro h TRP 99 Ca 0.11 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.21 1tro h TRP 99 Cb 0.38 0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 27.53 1tro h TRP 99 CO 0.03 -0.17 0.23 -0.07 -2.79 0.00 0.00 178.44 175.67 1tro h LEU 100 N -0.10 0.27 -0.83 0.65 3.38 -0.76 -1.39 115.31 116.53 1tro h LEU 100 Ca 0.11 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1tro h LEU 100 Cb 0.26 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1tro h LEU 100 CO -0.25 0.17 0.54 -0.33 0.09 0.00 0.00 178.44 178.66 1tro h GLU 101 N 0.43 1.03 0.60 1.13 5.08 -1.14 -0.08 114.58 121.64 1tro h GLU 101 Ca 0.27 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1tro h GLU 101 Cb 0.29 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1tro h GLU 101 CO -0.25 0.68 -0.30 1.49 -1.00 0.00 0.00 179.01 179.63 1tro h GLU 102 N 1.07 -0.80 -0.33 2.33 4.81 -1.01 -2.15 114.58 118.49 1tro h GLU 102 Ca 0.32 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.54 1tro h GLU 102 Cb -0.05 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1tro h GLU 102 CO -0.10 -0.53 -0.04 -0.39 -0.73 0.00 0.00 179.01 177.22 1tro h VAL 103 N -0.83 1.27 0.10 0.32 -1.51 -1.18 -3.28 116.25 111.15 1tro h VAL 103 Ca -0.08 -1.05 -0.27 0.00 -1.23 0.00 0.00 66.70 64.07 1tro h VAL 103 Cb 0.64 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1tro h VAL 103 CO 0.12 0.34 -1.29 -0.07 -1.23 0.00 0.00 177.57 175.44 1tro h LEU 104 N 0.40 0.34 -2.55 4.19 -0.00 -1.07 -3.29 115.31 113.33 1tro h LEU 104 Ca 0.09 -0.39 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1tro h LEU 104 Cb 0.51 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1tro h LEU 104 CO 0.02 1.31 0.00 0.18 -0.00 0.00 0.00 178.44 179.96 1tro n LEU 105 N -3.47 3.89 0.00 1.67 4.77 -0.81 -5.03 117.00 118.03 1tro n LEU 105 Ca -0.09 -1.97 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 1tro n LEU 105 Cb 1.02 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1tro n LEU 105 CO 0.52 0.61 0.00 1.17 -1.33 0.00 0.00 177.39 178.36 1tro n LYS 106 N 0.72 -0.39 0.00 3.23 0.00 -1.24 -5.00 118.16 115.49 1tro n LYS 106 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.51 1tro n LYS 106 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.79 1tro n LYS 106 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1tro n SER 107 N 2.96 0.00 0.00 3.14 7.64 -1.26 -4.40 113.62 121.70 1tro n SER 107 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1tro n SER 107 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1tro n SER 107 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36