#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dvr h ASN 11 N 0.00 0.76 -0.17 3.42 -1.24 -2.00 -0.63 115.58 115.72 2dvr h ASN 11 Ca 0.00 0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 2dvr h ASN 11 Cb 0.00 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 2dvr h ASN 11 CO 0.00 0.33 0.06 1.56 -1.29 0.00 0.00 177.43 178.09 2dvr h GLN 12 N 0.80 0.26 -0.25 6.67 4.20 -1.98 -1.38 115.11 123.43 2dvr h GLN 12 Ca 0.52 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 59.11 2dvr h GLN 12 Cb 0.69 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2dvr h GLN 12 CO -0.34 0.37 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.04 2dvr h LEU 13 N 0.10 0.38 -0.38 1.46 3.38 -1.88 -0.57 115.31 117.80 2dvr h LEU 13 Ca 0.06 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 2dvr h LEU 13 Cb 0.22 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2dvr h LEU 13 CO -0.00 0.51 -0.58 1.56 0.09 0.00 0.00 178.44 180.03 2dvr h GLN 14 N 0.38 0.72 -0.37 1.13 4.20 -0.83 -2.24 115.11 118.10 2dvr h GLN 14 Ca 0.08 -0.47 -0.14 0.00 0.06 0.00 0.00 58.65 58.18 2dvr h GLN 14 Cb 0.40 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2dvr h GLN 14 CO 0.02 1.09 -0.32 -0.92 -0.67 0.00 0.00 178.83 178.04 2dvr h TYR 15 N 0.54 0.97 -0.54 2.96 3.20 -0.83 0.24 116.97 123.51 2dvr h TYR 15 Ca 0.00 -0.26 0.03 0.00 3.14 0.00 0.00 58.73 61.65 2dvr h TYR 15 Cb 1.16 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 2dvr h TYR 15 CO 0.06 1.03 0.36 -0.07 -1.64 0.00 0.00 178.16 177.90 2dvr h LEU 16 N 0.70 0.53 0.00 2.82 3.38 -0.93 -0.84 115.31 120.97 2dvr h LEU 16 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2dvr h LEU 16 Cb 0.87 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2dvr h LEU 16 CO 0.08 0.37 -0.09 -0.74 0.09 0.00 0.00 178.44 178.14 2dvr h HIS 17 N 0.61 0.00 0.00 1.13 2.76 -1.01 -3.11 115.15 115.53 2dvr h HIS 17 Ca 0.22 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.28 2dvr h HIS 17 Cb 0.10 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 2dvr h HIS 17 CO -0.00 0.46 -0.54 0.87 -1.30 0.00 0.00 177.93 177.42 2dvr h LYS 18 N -1.00 0.00 0.00 5.26 6.56 -0.58 -3.09 116.57 123.73 2dvr h LYS 18 Ca -0.02 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.49 2dvr h LYS 18 Cb 0.48 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.13 2dvr h LYS 18 CO -0.01 0.54 -1.27 0.28 -2.06 0.00 0.00 179.45 176.93 2dvr n VAL 19 N -3.26 0.26 1.20 0.50 0.31 -0.38 -4.51 118.33 112.45 2dvr n VAL 19 Ca 0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2dvr n VAL 19 Cb 0.74 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 2dvr n VAL 19 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2dvr n VAL 20 N -3.13 0.00 0.00 2.52 0.31 -0.81 -2.75 118.33 114.47 2dvr n VAL 20 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2dvr n VAL 20 Cb 0.57 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 2dvr n VAL 20 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2dvr n LYS 22 N -0.24 0.00 -0.06 5.55 4.81 -1.17 -1.07 118.16 125.98 2dvr n LYS 22 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 2dvr n LYS 22 Cb 0.08 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.06 2dvr n LYS 22 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dvr h ALA 23 N 0.00 0.27 -0.28 3.14 0.00 -1.83 -3.20 119.26 117.36 2dvr h ALA 23 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 2dvr h ALA 23 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2dvr h ALA 23 CO 0.00 0.23 -0.45 -0.07 0.00 0.00 0.00 179.25 178.96 2dvr h LEU 24 N 0.12 0.77 -0.85 0.00 3.38 -1.37 -3.00 115.31 114.35 2dvr h LEU 24 Ca 0.02 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.63 2dvr h LEU 24 Cb 0.79 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2dvr h LEU 24 CO 0.05 1.10 0.56 -0.25 0.09 0.00 0.00 178.44 179.99 2dvr h TRP 25 N 0.57 1.08 -0.01 1.13 2.91 -1.81 -3.06 115.95 116.75 2dvr h TRP 25 Ca 0.04 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.08 2dvr h TRP 25 Cb 1.00 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 29.29 2dvr h TRP 25 CO 0.05 0.68 -0.20 0.36 -1.03 0.00 0.00 178.44 178.31 2dvr n LYS 26 N -4.48 1.33 -2.01 2.65 2.85 -1.21 -4.81 118.16 112.48 2dvr n LYS 26 Ca 0.09 -0.91 -0.40 0.00 -1.05 0.00 0.00 58.31 56.05 2dvr n LYS 26 Cb 0.02 -1.48 -0.00 0.00 -0.65 0.00 0.00 35.03 32.92 2dvr n LYS 26 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2dvr s HIS 27 N -2.30 2.78 0.10 5.58 2.46 -1.14 -4.87 115.29 117.91 2dvr s HIS 27 Ca 0.27 1.37 0.32 0.00 0.47 0.00 0.00 55.06 57.50 2dvr s HIS 27 Cb 0.20 -3.73 1.60 0.00 -0.13 0.00 0.00 32.58 30.51 2dvr s HIS 27 CO 0.45 -2.24 1.98 -0.56 -2.47 0.00 0.00 174.74 171.90 2dvr h GLN 28 N 2.74 0.00 0.00 2.88 3.07 -1.91 -1.10 115.11 120.79 2dvr h GLN 28 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.24 2dvr h GLN 28 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.81 2dvr h GLN 28 CO 0.63 0.00 -0.28 1.19 0.09 0.00 0.00 178.83 180.46 2dvr n PHE 29 N -2.71 0.22 0.29 0.06 3.72 -1.26 -4.16 117.46 113.62 2dvr n PHE 29 Ca -0.01 0.06 0.15 0.00 -0.05 0.00 0.00 57.45 57.60 2dvr n PHE 29 Cb 0.14 -0.50 0.69 0.00 -0.94 0.00 0.00 39.48 38.87 2dvr n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dvr h ALA 30 N 2.85 1.00 -0.89 4.37 0.00 -1.43 -3.37 119.26 121.79 2dvr h ALA 30 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2dvr h ALA 30 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2dvr h ALA 30 CO 0.00 0.00 0.58 0.11 0.00 0.00 0.00 179.25 179.94 2dvr h TRP 31 N 0.00 0.99 0.00 0.00 5.08 -1.78 0.14 115.95 120.38 2dvr h TRP 31 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 2dvr h TRP 31 Cb 0.20 -0.32 0.00 0.00 -3.00 0.00 0.00 29.16 26.03 2dvr h TRP 31 CO 0.00 0.49 0.00 -2.30 -1.28 0.00 0.00 178.44 175.35 2dvr n PRO 32 N -4.51 0.15 -0.00 0.12 -0.02 -1.26 -3.63 135.00 125.85 2dvr n PRO 32 Ca 0.14 0.12 0.05 0.00 -2.02 0.00 0.00 63.50 61.79 2dvr n PRO 32 Cb 0.25 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.17 2dvr n PRO 32 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2dvr n PHE 33 N -1.39 0.00 0.33 6.00 3.72 0.46 -4.64 117.46 121.94 2dvr n PHE 33 Ca 0.07 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.62 2dvr n PHE 33 Cb 0.20 -0.03 0.64 0.00 -0.94 0.00 0.00 39.48 39.35 2dvr n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dvr h ARG 34 N 0.00 0.00 -4.10 -1.08 3.08 -1.56 -3.34 114.38 107.37 2dvr h ARG 34 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 2dvr h ARG 34 Cb 0.26 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.14 2dvr h ARG 34 CO 0.00 0.00 -0.67 1.14 -1.07 0.00 0.00 179.97 179.37 2dvr s GLN 35 N -3.54 0.51 0.48 0.04 0.00 -1.26 -2.19 119.66 113.70 2dvr s GLN 35 Ca 0.02 -0.97 -0.24 0.00 -0.00 0.00 0.00 55.36 54.17 2dvr s GLN 35 Cb 0.09 0.18 -0.08 0.00 0.00 0.00 0.00 33.01 33.21 2dvr s GLN 35 CO 0.45 -0.10 1.27 -2.30 0.00 0.00 0.00 175.29 174.61 2dvr n PRO 36 N 0.66 1.77 -1.68 9.60 -0.02 -1.26 -4.88 135.00 139.18 2dvr n PRO 36 Ca -0.18 0.64 -0.46 0.00 -2.02 0.00 0.00 63.50 61.48 2dvr n PRO 36 Cb 0.59 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 2dvr n PRO 36 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2dvr n VAL 37 N -0.61 0.44 -3.20 -1.45 0.31 -1.26 -4.94 118.33 107.61 2dvr n VAL 37 Ca 0.08 -0.08 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 2dvr n VAL 37 Cb 0.42 -1.88 -0.05 0.00 -0.91 0.00 0.00 33.84 31.42 2dvr n VAL 37 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dvr s ASP 38 N 3.20 6.19 0.33 4.52 -1.08 -1.26 -4.94 116.67 123.63 2dvr s ASP 38 Ca 0.88 -1.58 0.05 0.00 -0.52 0.00 0.00 52.55 51.38 2dvr s ASP 38 Cb -0.63 -2.26 0.58 0.00 -1.46 0.00 0.00 42.92 39.15 2dvr s ASP 38 CO 0.45 -0.99 1.84 0.00 0.52 0.00 0.00 175.17 177.00 2dvr h ALA 39 N 9.05 1.32 0.18 3.66 0.00 -1.92 -0.82 119.26 130.73 2dvr h ALA 39 Ca -0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2dvr h ALA 39 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2dvr h ALA 39 CO 1.07 0.46 -0.09 0.28 0.00 0.00 0.00 179.25 180.96 2dvr h VAL 40 N 0.43 0.92 -0.18 0.00 2.07 -1.92 0.45 116.25 118.03 2dvr h VAL 40 Ca 0.09 -0.63 -0.20 0.00 0.82 0.00 0.00 66.70 66.77 2dvr h VAL 40 Cb 0.42 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2dvr h VAL 40 CO 0.02 0.14 -0.68 0.11 0.02 0.00 0.00 177.57 177.19 2dvr h LYS 41 N -0.57 0.73 0.00 1.57 1.79 -1.97 -2.74 116.57 115.38 2dvr h LYS 41 Ca -0.03 -0.54 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 2dvr h LYS 41 Cb 0.42 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2dvr h LYS 41 CO 0.04 1.16 0.00 1.28 -1.08 0.00 0.00 179.45 180.85 2dvr n LEU 42 N -3.94 0.00 -3.71 2.94 4.32 -0.32 -4.92 117.00 111.37 2dvr n LEU 42 Ca -0.06 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.71 2dvr n LEU 42 Cb 0.69 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.53 2dvr n LEU 42 CO 0.51 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.29 2dvr n GLY 43 N 0.63 -0.35 2.59 -0.72 0.00 -0.99 -4.98 105.19 101.36 2dvr n GLY 43 Ca 0.19 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 2dvr n GLY 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dvr n LEU 44 N -4.38 4.53 -0.23 0.99 4.32 0.16 -4.96 117.00 117.42 2dvr n LEU 44 Ca -0.22 -5.40 0.29 0.00 -0.02 0.00 0.00 56.01 50.67 2dvr n LEU 44 Cb 0.64 -0.83 0.69 0.00 -1.62 0.00 0.00 43.42 42.30 2dvr n LEU 44 CO 0.69 1.97 1.27 1.55 -1.22 0.00 0.00 177.39 181.65 2dvr h PRO 45 N 4.47 0.07 -0.01 3.23 0.13 -1.94 -1.77 132.00 136.17 2dvr h PRO 45 Ca 0.20 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2dvr h PRO 45 Cb 0.64 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2dvr h PRO 45 CO 0.97 0.05 -0.03 -0.40 -0.23 0.00 0.00 178.00 178.36 2dvr n ASP 46 N -4.30 1.48 -0.02 1.44 5.75 -1.26 -4.62 116.55 115.01 2dvr n ASP 46 Ca 0.21 -1.43 -0.09 0.00 -0.01 0.00 0.00 54.79 53.46 2dvr n ASP 46 Cb 1.00 0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 41.07 2dvr n ASP 46 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2dvr h TYR 47 N 2.27 -0.24 0.00 2.11 3.20 -1.72 -1.68 116.97 120.91 2dvr h TYR 47 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2dvr h TYR 47 Cb 0.51 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.91 2dvr h TYR 47 CO 0.00 -0.15 -0.09 0.45 -1.64 0.00 0.00 178.16 176.73 2dvr h HIS 48 N -0.10 0.00 -0.36 -3.82 3.86 -1.82 0.18 115.15 113.09 2dvr h HIS 48 Ca 0.09 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.21 2dvr h HIS 48 Cb 0.24 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 2dvr h HIS 48 CO -0.24 0.00 -0.17 0.87 0.86 0.00 0.00 177.93 179.25 2dvr h LYS 49 N 0.00 0.67 0.04 2.45 1.57 -1.67 -3.38 116.57 116.25 2dvr h LYS 49 Ca 0.00 -0.24 -0.31 0.00 -1.87 0.00 0.00 60.65 58.23 2dvr h LYS 49 Cb 0.78 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 2dvr h LYS 49 CO 0.00 0.80 -1.72 -0.89 -0.57 0.00 0.00 179.45 177.07 2dvr n ILE 50 N -4.15 1.62 -3.16 1.86 5.41 -0.70 -4.80 119.36 115.44 2dvr n ILE 50 Ca 0.01 -0.31 -0.42 0.00 1.00 0.00 0.00 62.75 63.02 2dvr n ILE 50 Cb 0.38 -1.88 -0.07 0.00 -0.71 0.00 0.00 39.64 37.36 2dvr n ILE 50 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2dvr s ILE 51 N -2.45 4.91 0.08 1.39 -1.09 0.60 -4.95 121.20 119.70 2dvr s ILE 51 Ca -0.28 0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.39 2dvr s ILE 51 Cb 0.07 -4.10 -0.25 0.00 -1.58 0.00 0.00 42.46 36.60 2dvr s ILE 51 CO 0.64 -0.42 1.16 0.11 -1.23 0.00 0.00 174.94 175.20 2dvr h LYS 52 N 8.66 0.15 -3.15 2.79 1.79 -1.86 -3.40 116.57 121.55 2dvr h LYS 52 Ca -0.26 -0.25 -0.63 0.00 -2.18 0.00 0.00 60.65 57.33 2dvr h LYS 52 Cb 1.11 0.09 -0.41 0.00 -1.58 0.00 0.00 32.23 31.44 2dvr h LYS 52 CO 0.84 1.10 -0.64 -0.65 -1.08 0.00 0.00 179.45 179.02 2dvr s GLN 53 N -2.67 2.03 1.21 3.15 -0.21 -1.26 -5.14 119.66 116.77 2dvr s GLN 53 Ca -0.02 -2.81 -0.15 0.00 0.02 0.00 0.00 55.36 52.39 2dvr s GLN 53 Cb 0.08 -3.13 0.27 0.00 1.00 0.00 0.00 33.01 31.24 2dvr s GLN 53 CO 0.85 -1.20 0.76 -2.30 -2.12 0.00 0.00 175.29 171.28 2dvr n PRO 54 N 2.69 -2.70 0.00 2.91 -0.02 -1.26 -4.98 135.00 131.63 2dvr n PRO 54 Ca 0.13 -0.77 0.00 0.00 -2.02 0.00 0.00 63.50 60.84 2dvr n PRO 54 Cb 0.34 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2dvr n PRO 54 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2dvr n ASP 56 N -4.34 0.00 0.00 2.55 5.75 -1.26 -5.13 116.55 114.12 2dvr n ASP 56 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 2dvr n ASP 56 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 2dvr n ASP 56 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dvr n GLY 58 N 0.00 0.00 0.28 6.12 0.00 -0.93 -2.54 105.19 108.13 2dvr n GLY 58 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2dvr n GLY 58 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2dvr h THR 59 N 0.00 1.23 -0.52 2.61 2.02 -1.92 -1.38 112.91 114.95 2dvr h THR 59 Ca 0.00 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.41 2dvr h THR 59 Cb 0.00 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 2dvr h THR 59 CO 0.00 0.27 -0.04 0.40 0.37 0.00 0.00 175.52 176.52 2dvr h ILE 60 N 0.91 1.27 -0.03 3.11 2.04 -1.91 -0.96 117.51 121.93 2dvr h ILE 60 Ca 0.22 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 2dvr h ILE 60 Cb 0.16 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2dvr h ILE 60 CO -0.02 0.41 0.01 0.50 0.00 0.00 0.00 178.15 179.04 2dvr h LYS 61 N 0.81 0.05 -0.96 2.37 3.64 -1.85 -0.00 116.57 120.63 2dvr h LYS 61 Ca 0.14 -0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.67 2dvr h LYS 61 Cb 0.58 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.31 2dvr h LYS 61 CO 0.03 0.27 0.61 -0.09 -2.27 0.00 0.00 179.45 178.00 2dvr h ARG 62 N -0.18 0.73 -0.20 1.90 2.43 -1.19 0.40 114.38 118.27 2dvr h ARG 62 Ca 0.01 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.95 2dvr h ARG 62 Cb 0.24 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2dvr h ARG 62 CO 0.00 0.48 -0.61 0.00 -1.51 0.00 0.00 179.97 178.33 2dvr h ARG 63 N 0.75 0.66 -0.43 0.20 3.08 -0.66 -2.52 114.38 115.47 2dvr h ARG 63 Ca 0.51 -0.45 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 2dvr h ARG 63 Cb 0.78 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2dvr h ARG 63 CO -0.27 1.07 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.52 2dvr h LEU 64 N 0.49 0.76 -1.04 3.04 3.38 -0.11 -0.81 115.31 121.03 2dvr h LEU 64 Ca -0.00 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 2dvr h LEU 64 Cb 1.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2dvr h LEU 64 CO 0.12 0.89 -0.27 -0.33 0.09 0.00 0.00 178.44 178.95 2dvr h GLU 65 N 0.70 0.36 -0.62 1.13 5.08 -0.85 -3.14 114.58 117.24 2dvr h GLU 65 Ca 0.12 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2dvr h GLU 65 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2dvr h GLU 65 CO 0.04 0.61 0.00 0.09 -1.00 0.00 0.00 179.01 178.75 2dvr n ASN 66 N -4.13 4.30 -2.21 1.42 3.02 -0.96 -4.96 115.26 111.74 2dvr n ASN 66 Ca -0.01 -2.30 -0.20 0.00 -0.03 0.00 0.00 54.58 52.05 2dvr n ASN 66 Cb 0.40 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 2dvr n ASN 66 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2dvr n ASN 67 N 1.12 -5.49 -0.35 6.41 3.02 -0.97 -4.89 115.26 114.11 2dvr n ASN 67 Ca 0.24 0.13 -0.01 0.00 -0.03 0.00 0.00 54.58 54.91 2dvr n ASN 67 Cb 0.77 -4.65 0.14 0.00 -0.61 0.00 0.00 39.78 35.42 2dvr n ASN 67 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2dvr h TYR 68 N 0.00 1.21 -3.85 3.10 3.20 -1.45 -3.45 116.97 115.74 2dvr h TYR 68 Ca -0.45 0.03 -0.50 0.00 3.14 0.00 0.00 58.73 60.95 2dvr h TYR 68 Cb 1.33 -0.41 0.02 0.00 1.54 0.00 0.00 36.73 39.21 2dvr h TYR 68 CO 0.58 0.75 0.46 0.71 -1.64 0.00 0.00 178.16 179.02 2dvr s TYR 69 N -6.07 3.49 -0.03 -3.82 2.02 -1.26 -4.94 117.35 106.75 2dvr s TYR 69 Ca -0.13 1.68 -0.08 0.00 -0.37 0.00 0.00 57.07 58.18 2dvr s TYR 69 Cb 0.18 -3.26 -0.30 0.00 -0.40 0.00 0.00 41.96 38.19 2dvr s TYR 69 CO 0.81 -0.60 0.75 2.35 -1.57 0.00 0.00 175.55 177.29 2dvr h TRP 70 N 3.48 0.63 -3.17 2.71 2.91 -2.00 -3.48 115.95 117.04 2dvr h TRP 70 Ca -0.47 -0.46 -0.10 0.00 1.13 0.00 0.00 58.89 58.99 2dvr h TRP 70 Cb 1.21 -0.03 -0.18 0.00 -0.51 0.00 0.00 29.16 29.66 2dvr h TRP 70 CO 0.58 1.56 -0.23 0.00 -1.03 0.00 0.00 178.44 179.32 2dvr s ALA 71 N -2.59 -0.77 0.27 2.65 0.00 -1.26 -5.05 121.76 115.01 2dvr s ALA 71 Ca -0.13 0.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 2dvr s ALA 71 Cb 0.06 0.25 0.57 0.00 0.00 0.00 0.00 23.12 23.99 2dvr s ALA 71 CO 0.86 -0.37 1.61 0.00 0.00 0.00 0.00 175.76 177.86 2dvr h ALA 72 N 3.38 0.95 -0.96 0.00 0.00 -1.92 -0.59 119.26 120.11 2dvr h ALA 72 Ca -0.31 0.28 0.21 0.00 0.00 0.00 0.00 54.91 55.10 2dvr h ALA 72 Cb 1.19 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 19.38 2dvr h ALA 72 CO 0.44 -0.47 0.62 0.66 0.00 0.00 0.00 179.25 180.50 2dvr h SER 73 N 0.08 0.51 -0.20 0.00 4.64 -2.00 -2.07 113.55 114.52 2dvr h SER 73 Ca 0.49 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.85 2dvr h SER 73 Cb 0.93 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 2dvr h SER 73 CO -0.77 0.18 0.03 -0.08 -0.87 0.00 0.00 176.83 175.32 2dvr h GLU 74 N 0.50 0.33 -1.33 4.77 4.81 -1.52 -0.27 114.58 121.86 2dvr h GLU 74 Ca 0.53 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 2dvr h GLU 74 Cb 1.18 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2dvr h GLU 74 CO -0.25 0.48 0.00 0.00 -0.73 0.00 0.00 179.01 178.51 2dvr n GLN 77 N 0.83 0.00 -0.15 0.00 -0.06 -0.11 -1.46 117.38 116.43 2dvr n GLN 77 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.88 2dvr n GLN 77 Cb 0.00 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.18 2dvr n GLN 77 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 2dvr h ASP 78 N 0.00 1.01 -0.65 1.69 3.32 -1.54 -0.34 116.42 119.92 2dvr h ASP 78 Ca 0.00 -0.40 0.02 0.00 0.02 0.00 0.00 57.03 56.67 2dvr h ASP 78 Cb 0.00 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 2dvr h ASP 78 CO 0.00 1.19 0.41 -0.26 -1.72 0.00 0.00 179.24 178.86 2dvr h PHE 79 N 0.83 0.78 -0.57 4.55 0.04 -1.55 -2.80 116.94 118.21 2dvr h PHE 79 Ca 0.10 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.85 2dvr h PHE 79 Cb 0.81 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 2dvr h PHE 79 CO 0.05 0.46 0.17 -0.97 -0.60 0.00 0.00 178.31 177.42 2dvr h ASN 80 N 0.82 0.84 0.00 2.17 -1.24 -1.76 -1.84 115.58 114.58 2dvr h ASN 80 Ca 0.25 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2dvr h ASN 80 Cb -0.03 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.80 2dvr h ASN 80 CO -0.08 0.83 0.00 0.41 -1.29 0.00 0.00 177.43 177.30 2dvr n THR 81 N -4.42 0.02 0.00 -3.57 -1.04 -0.16 -1.15 114.28 103.97 2dvr n THR 81 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2dvr n THR 81 Cb 0.21 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 2dvr n THR 81 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2dvr n PHE 83 N 0.74 0.00 -0.27 -1.42 3.72 -0.69 -0.88 117.46 118.66 2dvr n PHE 83 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 2dvr n PHE 83 Cb 0.02 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.61 2dvr n PHE 83 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2dvr h THR 84 N 0.00 1.23 -0.47 4.37 2.02 -1.41 -1.68 112.91 116.96 2dvr h THR 84 Ca 0.00 -0.57 0.07 0.00 0.77 0.00 0.00 66.41 66.68 2dvr h THR 84 Cb 0.00 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 66.61 2dvr h THR 84 CO 0.00 0.25 0.12 0.78 0.37 0.00 0.00 175.52 177.04 2dvr h ASN 85 N 1.02 0.07 -0.16 4.18 2.35 -1.25 0.51 115.58 122.29 2dvr h ASN 85 Ca 0.26 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 56.09 2dvr h ASN 85 Cb 0.04 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2dvr h ASN 85 CO -0.04 0.07 0.07 0.00 -1.65 0.00 0.00 177.43 175.88 2dvr h TYR 87 N 0.16 1.00 -0.39 0.00 0.05 -0.67 -1.13 116.97 116.00 2dvr h TYR 87 Ca 0.06 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.69 2dvr h TYR 87 Cb 0.02 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.42 2dvr h TYR 87 CO -0.09 0.67 -0.36 0.82 -1.05 0.00 0.00 178.16 178.14 2dvr h ILE 88 N 1.05 1.27 0.06 -2.88 2.04 -0.77 -3.36 117.51 114.92 2dvr h ILE 88 Ca 0.28 -1.53 -0.23 0.00 1.00 0.00 0.00 64.86 64.38 2dvr h ILE 88 Cb -0.06 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2dvr h ILE 88 CO -0.05 0.51 -1.18 0.22 0.00 0.00 0.00 178.15 177.65 2dvr h TYR 89 N 0.76 0.23 -4.23 1.37 3.20 -0.99 -3.47 116.97 113.84 2dvr h TYR 89 Ca 0.07 -0.17 -0.50 0.00 3.14 0.00 0.00 58.73 61.27 2dvr h TYR 89 Cb 0.95 -0.01 0.07 0.00 1.54 0.00 0.00 36.73 39.28 2dvr h TYR 89 CO 0.06 1.46 0.37 -0.80 -1.64 0.00 0.00 178.16 177.62 2dvr s ASN 90 N -6.85 5.62 0.47 -2.11 0.01 -0.45 -5.01 114.94 106.62 2dvr s ASN 90 Ca -0.23 1.79 -0.24 0.00 -0.71 0.00 0.00 52.86 53.47 2dvr s ASN 90 Cb 0.04 -2.53 -0.07 0.00 0.41 0.00 0.00 41.25 39.10 2dvr s ASN 90 CO 0.70 -1.28 1.32 -0.54 -1.51 0.00 0.00 177.10 175.79 2dvr s LYS 91 N -4.30 3.58 0.65 -0.60 3.01 -1.26 -4.90 119.74 115.92 2dvr s LYS 91 Ca 0.63 2.17 0.36 0.00 -1.01 0.00 0.00 55.97 58.12 2dvr s LYS 91 Cb -0.16 -2.50 2.01 0.00 -1.01 0.00 0.00 37.83 36.18 2dvr s LYS 91 CO 0.41 -0.82 2.18 -1.35 0.51 0.00 0.00 175.35 176.29 2dvr h PRO 92 N 2.06 0.00 0.00 -1.68 0.11 -1.95 -2.24 132.00 128.30 2dvr h PRO 92 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2dvr h PRO 92 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2dvr h PRO 92 CO 0.60 0.00 -1.16 0.25 -0.21 0.00 0.00 178.00 177.48 2dvr n THR 93 N -3.22 0.52 -1.62 -1.15 -2.24 -1.26 -4.89 114.28 100.40 2dvr n THR 93 Ca -0.02 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 2dvr n THR 93 Cb 0.21 -0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 68.16 2dvr n THR 93 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2dvr n ASP 94 N -2.60 1.66 0.25 3.42 -0.08 -0.84 -4.87 116.55 113.48 2dvr n ASP 94 Ca -0.01 1.14 0.11 0.00 -1.51 0.00 0.00 54.79 54.52 2dvr n ASP 94 Cb 0.55 -1.36 0.63 0.00 2.34 0.00 0.00 41.12 43.28 2dvr n ASP 94 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2dvr h ASP 95 N 1.98 0.00 -0.99 1.67 3.32 -1.92 -2.94 116.42 117.53 2dvr h ASP 95 Ca -0.43 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.71 2dvr h ASP 95 Cb 1.32 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.80 2dvr h ASP 95 CO 0.60 0.17 0.64 -0.29 -1.72 0.00 0.00 179.24 178.63 2dvr h ILE 96 N 0.00 1.02 -0.37 0.35 2.10 -1.95 -2.91 117.51 115.75 2dvr h ILE 96 Ca -0.00 -0.37 0.06 0.00 1.08 0.00 0.00 64.86 65.62 2dvr h ILE 96 Cb 0.46 -0.16 -0.05 0.00 -1.09 0.00 0.00 36.82 35.98 2dvr h ILE 96 CO 0.02 0.20 0.06 0.58 -1.08 0.00 0.00 178.15 177.93 2dvr h VAL 97 N 1.08 0.79 0.00 2.19 2.07 -1.83 0.29 116.25 120.86 2dvr h VAL 97 Ca 0.45 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.91 2dvr h VAL 97 Cb 0.30 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2dvr h VAL 97 CO -0.20 0.03 0.00 -0.11 0.02 0.00 0.00 177.57 177.31 2dvr n LEU 98 N -5.11 0.05 0.00 2.57 0.00 -1.10 -0.82 117.00 112.59 2dvr n LEU 98 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 56.01 56.00 2dvr n LEU 98 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 43.42 43.57 2dvr n LEU 98 CO 0.23 0.01 0.00 0.00 0.00 0.00 0.00 177.39 177.63 2dvr n ALA 100 N 0.56 0.00 -0.13 1.96 0.00 0.09 -0.56 120.51 122.43 2dvr n ALA 100 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2dvr n ALA 100 Cb 0.01 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.49 2dvr n ALA 100 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2dvr h GLN 101 N 0.00 0.37 -0.32 0.00 4.20 -1.23 0.25 115.11 118.38 2dvr h GLN 101 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2dvr h GLN 101 Cb 0.00 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2dvr h GLN 101 CO 0.00 0.24 0.21 1.15 -0.67 0.00 0.00 178.83 179.76 2dvr h THR 102 N 0.38 1.08 -0.64 -0.54 2.02 -1.09 -1.75 112.91 112.36 2dvr h THR 102 Ca 0.18 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 67.16 2dvr h THR 102 Cb 0.12 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2dvr h THR 102 CO -0.15 0.08 0.16 -0.07 0.37 0.00 0.00 175.52 175.91 2dvr h LEU 103 N 0.43 0.97 -0.70 2.58 3.38 -1.70 -3.06 115.31 117.20 2dvr h LEU 103 Ca 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2dvr h LEU 103 Cb -0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 2dvr h LEU 103 CO -0.02 0.94 0.39 -0.08 0.09 0.00 0.00 178.44 179.76 2dvr h GLU 104 N 0.94 0.97 -0.37 1.13 4.81 -0.32 0.28 114.58 122.03 2dvr h GLU 104 Ca 0.20 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2dvr h GLU 104 Cb 0.35 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2dvr h GLU 104 CO 0.00 0.72 0.18 0.87 -0.73 0.00 0.00 179.01 180.05 2dvr h LYS 105 N 0.96 0.37 -0.26 1.92 1.57 -1.30 0.70 116.57 120.52 2dvr h LYS 105 Ca 0.25 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 2dvr h LYS 105 Cb 0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2dvr h LYS 105 CO -0.04 0.24 0.09 0.82 -0.57 0.00 0.00 179.45 180.00 2dvr h ILE 106 N 0.38 1.18 -0.47 1.86 2.04 -1.38 -0.26 117.51 120.86 2dvr h ILE 106 Ca 0.15 -0.58 0.09 0.00 1.00 0.00 0.00 64.86 65.53 2dvr h ILE 106 Cb 0.06 1.08 -0.10 0.00 -0.74 0.00 0.00 36.82 37.12 2dvr h ILE 106 CO -0.11 0.19 -0.27 0.15 0.00 0.00 0.00 178.15 178.11 2dvr h PHE 107 N 0.26 -0.72 -0.48 1.37 3.57 -0.52 0.01 116.94 120.43 2dvr h PHE 107 Ca 0.09 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2dvr h PHE 107 Cb 0.21 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2dvr h PHE 107 CO -0.00 -0.34 0.18 -0.07 -2.23 0.00 0.00 178.31 175.85 2dvr h LEU 108 N -0.17 0.67 -0.76 0.59 3.38 -0.58 0.55 115.31 119.00 2dvr h LEU 108 Ca 0.21 -0.18 0.15 0.00 0.09 0.00 0.00 57.88 58.15 2dvr h LEU 108 Cb 0.51 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 40.98 2dvr h LEU 108 CO -0.57 0.67 0.30 -0.61 0.09 0.00 0.00 178.44 178.32 2dvr h GLN 109 N 0.64 0.42 0.01 1.13 5.75 -0.66 -1.30 115.11 121.10 2dvr h GLN 109 Ca 0.16 -0.03 -0.26 0.00 -0.15 0.00 0.00 58.65 58.38 2dvr h GLN 109 Cb 0.21 -0.09 0.02 0.00 1.07 0.00 0.00 27.48 28.69 2dvr h GLN 109 CO -0.01 0.28 -1.01 0.87 -2.65 0.00 0.00 178.83 176.31 2dvr h LYS 110 N 0.43 0.66 -0.83 1.69 1.79 -0.69 -2.76 116.57 116.86 2dvr h LYS 110 Ca 0.42 -0.73 0.21 0.00 -2.18 0.00 0.00 60.65 58.37 2dvr h LYS 110 Cb 0.64 0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 31.46 2dvr h LYS 110 CO -0.41 1.31 0.57 0.28 -1.08 0.00 0.00 179.45 180.12 2dvr h VAL 111 N 0.32 0.65 0.00 0.50 2.07 -0.57 -0.93 116.25 118.29 2dvr h VAL 111 Ca -0.13 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2dvr h VAL 111 Cb 1.67 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2dvr h VAL 111 CO 0.20 0.04 -0.05 0.00 0.02 0.00 0.00 177.57 177.78 2dvr h ALA 112 N 1.61 1.04 -2.74 1.67 0.00 -0.94 -3.47 119.26 116.44 2dvr h ALA 112 Ca 0.42 -0.04 -0.72 0.00 0.00 0.00 0.00 54.91 54.56 2dvr h ALA 112 Cb 1.31 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.79 2dvr h ALA 112 CO -0.09 0.06 -0.37 -1.12 0.00 0.00 0.00 179.25 177.73 2dvr s SER 113 N -5.73 5.70 -0.21 0.00 0.01 -0.36 -5.12 113.70 107.99 2dvr s SER 113 Ca -0.01 -2.07 -0.16 0.00 1.31 0.00 0.00 55.95 55.03 2dvr s SER 113 Cb 0.10 -2.00 -0.10 0.00 0.21 0.00 0.00 66.02 64.24 2dvr s SER 113 CO 0.54 -0.64 -0.25 -2.65 0.41 0.00 0.00 173.24 170.65 2dvr n PRO 115 N 4.68 0.54 -0.94 12.44 -0.02 -1.26 -5.11 135.00 145.33 2dvr n PRO 115 Ca -0.04 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2dvr n PRO 115 Cb 0.41 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2dvr n PRO 115 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52