#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dvr n ARG 8 N 0.00 0.74 -1.54 1.61 5.12 -1.26 -5.13 116.66 116.20 2dvr n ARG 8 Ca 0.00 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2dvr n ARG 8 Cb 0.00 -1.08 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 2dvr n ARG 8 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2dvr n VAL 9 N -1.72 -8.23 -2.34 1.55 0.31 -1.26 -4.97 118.33 101.67 2dvr n VAL 9 Ca -0.02 1.78 -0.34 0.00 -0.01 0.00 0.00 64.34 65.76 2dvr n VAL 9 Cb 0.19 -4.31 -0.01 0.00 -0.91 0.00 0.00 33.84 28.79 2dvr n VAL 9 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2dvr s THR 10 N -0.30 3.66 0.48 2.52 -4.23 -1.26 -4.83 115.64 111.68 2dvr s THR 10 Ca 0.00 0.96 0.36 0.00 -1.18 0.00 0.00 61.69 61.83 2dvr s THR 10 Cb 0.00 -3.39 0.56 0.00 1.34 0.00 0.00 72.50 71.00 2dvr s THR 10 CO 0.00 -0.29 1.64 0.78 -0.54 0.00 0.00 174.62 176.21 2dvr h ASN 11 N 1.17 0.16 -0.07 3.99 2.35 -1.93 -1.49 115.58 119.76 2dvr h ASN 11 Ca -0.49 0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 55.18 2dvr h ASN 11 Cb 1.23 0.07 0.01 0.00 0.05 0.00 0.00 38.32 39.68 2dvr h ASN 11 CO 0.58 -0.10 -0.59 1.56 -1.65 0.00 0.00 177.43 177.23 2dvr h GLN 12 N 0.07 0.51 0.00 0.81 4.20 -1.88 -0.98 115.11 117.84 2dvr h GLN 12 Ca 0.81 -0.46 -0.11 0.00 0.06 0.00 0.00 58.65 58.95 2dvr h GLN 12 Cb 2.80 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 30.67 2dvr h GLN 12 CO -0.26 1.10 -0.52 -0.07 -0.67 0.00 0.00 178.83 178.41 2dvr h LEU 13 N 0.09 0.00 0.23 1.46 3.38 -1.81 -0.65 115.31 118.01 2dvr h LEU 13 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2dvr h LEU 13 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2dvr h LEU 13 CO 0.12 0.52 -0.11 1.56 0.09 0.00 0.00 178.44 180.62 2dvr h GLN 14 N 0.00 -0.30 -0.98 1.13 4.20 -1.23 -1.49 115.11 116.45 2dvr h GLN 14 Ca -0.01 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.80 2dvr h GLN 14 Cb 1.01 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.78 2dvr h GLN 14 CO 0.07 -0.06 0.62 -0.92 -0.67 0.00 0.00 178.83 177.87 2dvr h TYR 15 N -0.50 1.15 -0.03 2.96 3.20 -1.09 0.31 116.97 122.97 2dvr h TYR 15 Ca -0.03 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2dvr h TYR 15 Cb 0.37 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2dvr h TYR 15 CO -0.01 0.56 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.59 2dvr h LEU 16 N 1.10 0.07 0.03 2.82 3.38 -0.93 -0.58 115.31 121.19 2dvr h LEU 16 Ca 0.44 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 2dvr h LEU 16 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2dvr h LEU 16 CO -0.20 0.48 -0.01 -0.74 0.09 0.00 0.00 178.44 178.06 2dvr h HIS 17 N 0.06 -0.03 0.00 1.13 2.76 -0.82 -3.22 115.15 115.03 2dvr h HIS 17 Ca 0.00 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.04 2dvr h HIS 17 Cb 0.75 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.71 2dvr h HIS 17 CO 0.00 0.21 -0.65 0.87 -1.30 0.00 0.00 177.93 177.07 2dvr h LYS 18 N -1.00 0.00 0.00 5.26 6.56 -0.40 -2.73 116.57 124.25 2dvr h LYS 18 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2dvr h LYS 18 Cb 0.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 2dvr h LYS 18 CO 0.01 0.65 -0.59 0.28 -2.06 0.00 0.00 179.45 177.73 2dvr n VAL 19 N -3.29 1.18 0.56 0.50 0.31 -0.26 -4.47 118.33 112.86 2dvr n VAL 19 Ca 0.01 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 2dvr n VAL 19 Cb 0.78 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 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 -3.89 0.00 0.00 2.52 0.31 -0.99 -1.82 118.33 114.46 2dvr n VAL 20 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2dvr n VAL 20 Cb 0.31 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 -0.36 0.00 -0.30 5.55 3.00 -1.03 -1.68 118.16 123.35 2dvr n LYS 22 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 2dvr n LYS 22 Cb 0.01 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.11 2dvr n LYS 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dvr h ALA 23 N 0.00 1.03 -0.08 3.14 0.00 -1.66 -3.26 119.26 118.43 2dvr h ALA 23 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2dvr h ALA 23 Cb 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.48 2dvr h ALA 23 CO 0.00 0.53 -0.61 -0.07 0.00 0.00 0.00 179.25 179.10 2dvr h LEU 24 N 1.12 0.68 -0.82 0.00 3.38 -1.59 -3.18 115.31 114.89 2dvr h LEU 24 Ca 0.28 -0.67 0.14 0.00 0.09 0.00 0.00 57.88 57.72 2dvr h LEU 24 Cb 0.02 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.47 2dvr h LEU 24 CO -0.05 1.25 0.41 -0.25 0.09 0.00 0.00 178.44 179.89 2dvr h TRP 25 N 0.17 0.72 -0.04 1.13 2.91 -1.81 -2.05 115.95 116.96 2dvr h TRP 25 Ca -0.05 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.00 2dvr h TRP 25 Cb 1.27 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.73 2dvr h TRP 25 CO 0.12 0.17 0.00 0.36 -1.03 0.00 0.00 178.44 178.06 2dvr n LYS 26 N -4.89 1.79 -2.38 2.65 2.85 -1.23 -4.86 118.16 112.10 2dvr n LYS 26 Ca 0.16 -1.16 -0.36 0.00 -1.05 0.00 0.00 58.31 55.90 2dvr n LYS 26 Cb 0.41 -1.47 -0.02 0.00 -0.65 0.00 0.00 35.03 33.31 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 -1.96 2.95 0.39 5.58 2.46 -0.77 -4.91 115.29 119.03 2dvr s HIS 27 Ca 0.36 1.57 0.35 0.00 0.47 0.00 0.00 55.06 57.81 2dvr s HIS 27 Cb 0.20 -3.24 1.75 0.00 -0.13 0.00 0.00 32.58 31.16 2dvr s HIS 27 CO 0.32 -1.18 2.14 -0.56 -2.47 0.00 0.00 174.74 172.99 2dvr h GLN 28 N 1.90 0.00 -0.08 2.88 3.07 -1.93 -1.17 115.11 119.78 2dvr h GLN 28 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 2dvr h GLN 28 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 2dvr h GLN 28 CO 0.60 0.04 0.00 1.19 0.09 0.00 0.00 178.83 180.75 2dvr n PHE 29 N -3.28 0.09 0.18 0.06 3.72 -1.26 -4.47 117.46 112.50 2dvr n PHE 29 Ca -0.01 -0.04 0.06 0.00 -0.05 0.00 0.00 57.45 57.40 2dvr n PHE 29 Cb 0.21 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.92 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 4.23 0.83 -0.99 4.37 0.00 -1.47 -3.38 119.26 122.85 2dvr h ALA 30 Ca 0.00 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.72 2dvr h ALA 30 Cb 0.50 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 2dvr h ALA 30 CO 0.00 0.41 0.63 0.11 0.00 0.00 0.00 179.25 180.40 2dvr h TRP 31 N 0.00 1.12 0.00 0.00 5.08 -1.78 0.24 115.95 120.62 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 1.14 -0.36 0.00 0.00 -3.00 0.00 0.00 29.16 26.94 2dvr h TRP 31 CO 0.00 0.47 0.00 -2.30 -1.28 0.00 0.00 178.44 175.33 2dvr n PRO 32 N -4.59 0.00 0.00 0.12 -0.02 -1.26 -3.03 135.00 126.23 2dvr n PRO 32 Ca 0.18 0.39 0.04 0.00 -2.02 0.00 0.00 63.50 62.09 2dvr n PRO 32 Cb 0.33 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.32 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 -1.49 0.00 0.31 6.00 3.01 0.07 -4.66 117.46 120.69 2dvr n PHE 33 Ca 0.01 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.60 2dvr n PHE 33 Cb 0.06 0.00 0.30 0.00 -0.01 0.00 0.00 39.48 39.84 2dvr n PHE 33 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dvr h ARG 34 N 1.03 0.00 -4.17 -1.08 3.08 -1.45 -3.37 114.38 108.42 2dvr h ARG 34 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 2dvr h ARG 34 Cb 0.27 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.16 2dvr h ARG 34 CO 0.00 0.00 -0.65 1.14 -1.07 0.00 0.00 179.97 179.39 2dvr s GLN 35 N -3.26 0.61 0.38 0.04 0.00 -1.26 -1.81 119.66 114.35 2dvr s GLN 35 Ca 0.07 -1.15 -0.26 0.00 -0.00 0.00 0.00 55.36 54.02 2dvr s GLN 35 Cb 0.07 0.22 -0.11 0.00 0.00 0.00 0.00 33.01 33.19 2dvr s GLN 35 CO 0.63 -0.12 1.15 -2.30 0.00 0.00 0.00 175.29 174.64 2dvr n PRO 36 N 0.20 1.69 -1.67 9.60 -0.02 -1.26 -4.84 135.00 138.70 2dvr n PRO 36 Ca -0.15 0.60 -0.48 0.00 -2.02 0.00 0.00 63.50 61.45 2dvr n PRO 36 Cb 0.61 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 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 -0.10 0.31 -3.29 -1.45 0.31 -1.26 -4.91 118.33 107.93 2dvr n VAL 37 Ca 0.07 -0.06 -0.46 0.00 -0.01 0.00 0.00 64.34 63.89 2dvr n VAL 37 Cb 0.37 -1.68 -0.04 0.00 -0.91 0.00 0.00 33.84 31.59 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 2.60 6.39 0.42 4.52 -1.08 -1.26 -4.92 116.67 123.34 2dvr s ASP 38 Ca 0.87 -2.07 0.13 0.00 -0.52 0.00 0.00 52.55 50.95 2dvr s ASP 38 Cb -0.71 -2.22 0.89 0.00 -1.46 0.00 0.00 42.92 39.42 2dvr s ASP 38 CO 0.46 -0.79 1.94 0.00 0.52 0.00 0.00 175.17 177.30 2dvr h ALA 39 N 8.54 1.59 0.16 3.66 0.00 -1.91 -0.78 119.26 130.53 2dvr h ALA 39 Ca -0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2dvr h ALA 39 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2dvr h ALA 39 CO 0.95 0.30 -0.08 0.28 0.00 0.00 0.00 179.25 180.70 2dvr h VAL 40 N 0.07 0.97 -0.65 0.00 2.07 -1.91 0.14 116.25 116.94 2dvr h VAL 40 Ca 0.01 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.76 2dvr h VAL 40 Cb 0.39 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 2dvr h VAL 40 CO 0.03 0.19 0.32 0.50 0.02 0.00 0.00 177.57 178.63 2dvr h LYS 41 N -0.65 0.56 -0.04 1.57 3.64 -1.93 -2.79 116.57 116.95 2dvr h LYS 41 Ca -0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2dvr h LYS 41 Cb 0.48 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2dvr h LYS 41 CO 0.04 0.37 0.00 1.28 -2.27 0.00 0.00 179.45 178.87 2dvr n LEU 42 N -4.86 0.96 -2.73 5.20 4.77 -0.32 -4.94 117.00 115.07 2dvr n LEU 42 Ca 0.09 -0.35 -0.13 0.00 -0.03 0.00 0.00 56.01 55.59 2dvr n LEU 42 Cb 0.22 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.35 2dvr n LEU 42 CO 0.26 0.17 0.09 0.61 -1.33 0.00 0.00 177.39 177.20 2dvr n GLY 43 N 1.08 -0.13 2.52 -0.72 0.00 -0.79 -4.98 105.19 102.16 2dvr n GLY 43 Ca 0.19 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.30 2.95 0.25 0.99 4.32 0.43 -4.93 117.00 117.71 2dvr n LEU 44 Ca -0.18 -5.33 0.11 0.00 -0.02 0.00 0.00 56.01 50.59 2dvr n LEU 44 Cb 0.61 -0.19 0.64 0.00 -1.62 0.00 0.00 43.42 42.85 2dvr n LEU 44 CO 0.44 2.20 0.92 1.55 -1.22 0.00 0.00 177.39 181.27 2dvr h PRO 45 N 3.56 0.00 0.00 3.23 0.13 -1.94 -1.66 132.00 135.32 2dvr h PRO 45 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2dvr h PRO 45 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2dvr h PRO 45 CO 0.72 0.16 0.00 -0.40 -0.23 0.00 0.00 178.00 178.25 2dvr n ASP 46 N -3.61 0.00 0.09 1.44 5.68 -1.26 -4.55 116.55 114.34 2dvr n ASP 46 Ca -0.01 0.24 -0.12 0.00 -0.50 0.00 0.00 54.79 54.40 2dvr n ASP 46 Cb 0.30 -0.41 -0.06 0.00 -1.14 0.00 0.00 41.12 39.80 2dvr n ASP 46 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 2dvr h TYR 47 N 0.00 -0.24 0.00 2.11 3.20 -1.70 -2.20 116.97 118.14 2dvr h TYR 47 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2dvr h TYR 47 Cb 0.36 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2dvr h TYR 47 CO 0.00 -0.15 0.00 0.45 -1.64 0.00 0.00 178.16 176.82 2dvr h HIS 48 N -0.20 0.00 -0.57 -3.82 3.86 -1.80 -0.24 115.15 112.38 2dvr h HIS 48 Ca 0.01 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.12 2dvr h HIS 48 Cb 0.20 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 2dvr h HIS 48 CO -0.12 0.00 -0.02 0.87 0.86 0.00 0.00 177.93 179.52 2dvr h LYS 49 N 0.00 1.00 0.11 2.45 1.79 -1.67 -3.36 116.57 116.89 2dvr h LYS 49 Ca 0.00 -0.32 -0.35 0.00 -2.18 0.00 0.00 60.65 57.80 2dvr h LYS 49 Cb 0.66 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 2dvr h LYS 49 CO 0.00 1.00 -1.92 -0.89 -1.08 0.00 0.00 179.45 176.55 2dvr n ILE 50 N -4.18 1.76 -3.56 1.86 -0.00 -0.90 -4.81 119.36 109.54 2dvr n ILE 50 Ca 0.03 -0.60 -0.41 0.00 -0.00 0.00 0.00 62.75 61.77 2dvr n ILE 50 Cb 0.35 -1.77 -0.11 0.00 -0.00 0.00 0.00 39.64 38.11 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 -2.54 4.91 -0.40 1.39 -1.09 -0.15 -4.94 121.20 118.38 2dvr s ILE 51 Ca -0.23 -0.55 0.22 0.00 -2.23 0.00 0.00 60.65 57.86 2dvr s ILE 51 Cb 0.07 -3.63 -0.23 0.00 -1.58 0.00 0.00 42.46 37.09 2dvr s ILE 51 CO 0.75 -0.12 0.76 0.29 -1.23 0.00 0.00 174.94 175.39 2dvr n LYS 52 N 5.06 0.42 -3.65 2.79 4.76 -1.26 -4.43 118.16 121.84 2dvr n LYS 52 Ca -0.12 -0.08 -0.27 0.00 -2.87 0.00 0.00 58.31 54.97 2dvr n LYS 52 Cb 0.48 -1.56 -0.11 0.00 -1.84 0.00 0.00 35.03 32.00 2dvr n LYS 52 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2dvr n GLN 53 N -2.07 1.42 -0.40 1.97 7.27 -1.26 -5.18 117.38 119.14 2dvr n GLN 53 Ca -0.00 -4.09 -0.28 0.00 0.07 0.00 0.00 57.00 52.70 2dvr n GLN 53 Cb 0.48 -2.05 0.25 0.00 2.41 0.00 0.00 30.24 31.33 2dvr n GLN 53 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 2dvr n PRO 54 N 2.00 -3.38 0.00 3.69 -0.02 -1.26 -4.99 135.00 131.03 2dvr n PRO 54 Ca 0.24 -0.99 0.00 0.00 -2.02 0.00 0.00 63.50 60.73 2dvr n PRO 54 Cb 0.40 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 -4.25 0.00 0.00 2.55 5.75 -1.26 -5.12 116.55 114.22 2dvr n ASP 56 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 2dvr n ASP 56 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 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 0.16 6.12 0.00 -0.75 -2.21 105.19 108.52 2dvr n GLY 58 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.66 -0.43 2.61 2.02 -1.93 0.59 112.91 116.43 2dvr h THR 59 Ca 0.00 -0.02 -0.14 0.00 0.77 0.00 0.00 66.41 67.02 2dvr h THR 59 Cb 0.00 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2dvr h THR 59 CO 0.00 0.01 -0.29 0.40 0.37 0.00 0.00 175.52 176.01 2dvr h ILE 60 N 0.05 1.27 -0.28 3.11 2.04 -1.86 -0.91 117.51 120.94 2dvr h ILE 60 Ca 0.19 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 2dvr h ILE 60 Cb 0.28 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2dvr h ILE 60 CO -0.36 0.49 0.13 0.50 0.00 0.00 0.00 178.15 178.92 2dvr h LYS 61 N 0.79 0.40 -0.26 2.37 3.64 -1.78 0.21 116.57 121.94 2dvr h LYS 61 Ca 0.09 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2dvr h LYS 61 Cb 0.87 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2dvr h LYS 61 CO 0.08 0.38 0.17 -0.09 -2.27 0.00 0.00 179.45 177.72 2dvr h ARG 62 N 0.31 0.34 -0.74 1.90 2.43 -0.79 -1.71 114.38 116.12 2dvr h ARG 62 Ca 0.10 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.33 2dvr h ARG 62 Cb 0.11 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.52 2dvr h ARG 62 CO -0.01 0.22 0.39 0.00 -1.51 0.00 0.00 179.97 179.06 2dvr h ARG 63 N 0.35 0.66 -0.01 0.20 3.08 -0.83 -0.27 114.38 117.55 2dvr h ARG 63 Ca 0.10 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 2dvr h ARG 63 Cb -0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 2dvr h ARG 63 CO -0.02 0.43 -0.22 -0.07 -1.07 0.00 0.00 179.97 179.01 2dvr h LEU 64 N 0.68 0.02 0.14 3.04 3.38 -0.67 -1.17 115.31 120.73 2dvr h LEU 64 Ca 0.36 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.03 2dvr h LEU 64 Cb 0.34 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.10 2dvr h LEU 64 CO -0.25 0.25 -1.29 -0.33 0.09 0.00 0.00 178.44 176.91 2dvr h GLU 65 N 0.02 0.39 -0.63 1.13 5.08 -0.38 -3.31 114.58 116.88 2dvr h GLU 65 Ca 0.00 -0.63 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 2dvr h GLU 65 Cb 0.41 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2dvr h GLU 65 CO 0.03 1.29 0.00 0.09 -1.00 0.00 0.00 179.01 179.42 2dvr n ASN 66 N -3.62 3.80 -3.97 1.42 3.02 -0.20 -4.96 115.26 110.75 2dvr n ASN 66 Ca -0.11 -2.37 -0.30 0.00 -0.03 0.00 0.00 54.58 51.77 2dvr n ASN 66 Cb 1.03 -0.51 0.01 0.00 -0.61 0.00 0.00 39.78 39.70 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 0.78 -3.50 0.14 6.41 3.02 -0.94 -4.86 115.26 116.31 2dvr n ASN 67 Ca 0.20 -0.87 -0.01 0.00 -0.03 0.00 0.00 54.58 53.87 2dvr n ASN 67 Cb 0.73 -3.54 0.20 0.00 -0.61 0.00 0.00 39.78 36.56 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 -1.90 0.06 -3.39 3.10 3.20 -1.55 -3.45 116.97 113.04 2dvr h TYR 68 Ca -0.59 -0.02 -0.55 0.00 3.14 0.00 0.00 58.73 60.71 2dvr h TYR 68 Cb 1.38 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.60 2dvr h TYR 68 CO 0.56 0.59 0.08 0.71 -1.64 0.00 0.00 178.16 178.47 2dvr s TYR 69 N -3.78 3.84 -0.10 -3.82 2.02 -1.26 -5.01 117.35 109.25 2dvr s TYR 69 Ca -0.02 1.45 -0.05 0.00 -0.37 0.00 0.00 57.07 58.08 2dvr s TYR 69 Cb 0.13 -2.66 -0.26 0.00 -0.40 0.00 0.00 41.96 38.77 2dvr s TYR 69 CO 0.76 0.51 0.45 -1.49 -1.57 0.00 0.00 175.55 174.22 2dvr h TRP 70 N 4.61 0.46 -3.68 2.71 6.55 -2.00 -3.49 115.95 121.12 2dvr h TRP 70 Ca -0.48 -0.33 -0.31 0.00 0.95 0.00 0.00 58.89 58.72 2dvr h TRP 70 Cb 1.21 -0.02 -0.17 0.00 -0.86 0.00 0.00 29.16 29.32 2dvr h TRP 70 CO 0.66 1.68 -0.72 0.00 -1.05 0.00 0.00 178.44 179.00 2dvr s ALA 71 N -2.57 1.15 0.24 1.49 0.00 -1.26 -5.01 121.76 115.81 2dvr s ALA 71 Ca -0.19 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 50.47 2dvr s ALA 71 Cb 0.07 0.05 0.44 0.00 0.00 0.00 0.00 23.12 23.68 2dvr s ALA 71 CO 0.79 -0.07 1.75 0.00 0.00 0.00 0.00 175.76 178.23 2dvr h ALA 72 N 3.35 1.09 -0.09 0.00 0.00 -1.93 -2.62 119.26 119.06 2dvr h ALA 72 Ca -0.37 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2dvr h ALA 72 Cb 1.19 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2dvr h ALA 72 CO 0.56 -0.14 0.14 0.66 0.00 0.00 0.00 179.25 180.47 2dvr h SER 73 N 0.52 0.00 0.19 0.00 4.64 -1.98 -1.34 113.55 115.58 2dvr h SER 73 Ca 0.41 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.40 2dvr h SER 73 Cb 0.57 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.67 2dvr h SER 73 CO -0.36 0.00 -1.57 -0.08 -0.87 0.00 0.00 176.83 173.95 2dvr h GLU 74 N 0.00 0.40 -1.11 4.77 4.81 -1.89 -2.08 114.58 119.47 2dvr h GLU 74 Ca 0.05 -0.68 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 2dvr h GLU 74 Cb 0.33 0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2dvr h GLU 74 CO -0.00 1.33 0.00 0.00 -0.73 0.00 0.00 179.01 179.61 2dvr n GLN 77 N 0.76 0.00 -0.03 0.00 1.13 -0.78 -2.04 117.38 116.41 2dvr n GLN 77 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 2dvr n GLN 77 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 2dvr n GLN 77 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2dvr h ASP 78 N 0.00 0.20 -0.43 1.08 3.32 -1.79 0.15 116.42 118.94 2dvr h ASP 78 Ca 0.00 -0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.12 2dvr h ASP 78 Cb 0.00 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.42 2dvr h ASP 78 CO 0.00 0.16 -0.12 -0.26 -1.72 0.00 0.00 179.24 177.30 2dvr h PHE 79 N 0.22 -0.25 -0.40 4.55 0.04 -1.73 -2.80 116.94 116.57 2dvr h PHE 79 Ca 0.06 0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.91 2dvr h PHE 79 Cb -0.01 0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 2dvr h PHE 79 CO -0.06 -0.20 0.18 -0.97 -0.60 0.00 0.00 178.31 176.67 2dvr h ASN 80 N -0.01 0.25 0.00 2.17 -1.24 -1.73 -2.54 115.58 112.48 2dvr h ASN 80 Ca 0.21 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.25 2dvr h ASN 80 Cb 0.33 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.36 2dvr h ASN 80 CO -0.45 0.18 0.00 0.41 -1.29 0.00 0.00 177.43 176.28 2dvr n THR 81 N -4.95 0.00 0.00 -3.57 -1.04 0.49 -0.75 114.28 104.46 2dvr n THR 81 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2dvr n THR 81 Cb 0.11 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 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 0.85 0.00 -0.22 -1.42 3.72 -0.96 -0.40 117.46 119.04 2dvr n PHE 83 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 2dvr n PHE 83 Cb 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 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 1.18 -0.73 4.37 2.02 -1.22 -1.80 112.91 116.72 2dvr h THR 84 Ca 0.00 -0.37 0.16 0.00 0.77 0.00 0.00 66.41 66.97 2dvr h THR 84 Cb 0.00 0.31 -0.13 0.00 -1.74 0.00 0.00 68.15 66.59 2dvr h THR 84 CO 0.00 0.18 0.00 0.78 0.37 0.00 0.00 175.52 176.85 2dvr h ASN 85 N 0.84 -0.34 -0.22 4.18 2.35 -0.97 -0.21 115.58 121.21 2dvr h ASN 85 Ca 0.22 0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 56.12 2dvr h ASN 85 Cb -0.04 0.33 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2dvr h ASN 85 CO -0.04 -0.17 -0.00 0.00 -1.65 0.00 0.00 177.43 175.56 2dvr h TYR 87 N 0.15 0.52 -0.05 0.00 0.05 -0.97 -2.52 116.97 114.15 2dvr h TYR 87 Ca 0.06 -0.10 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 2dvr h TYR 87 Cb 0.41 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.02 2dvr h TYR 87 CO 0.04 0.67 -0.14 0.82 -1.05 0.00 0.00 178.16 178.49 2dvr h ILE 88 N 0.42 1.44 -0.13 -2.88 2.04 -0.77 -3.36 117.51 114.26 2dvr h ILE 88 Ca 0.06 -1.51 -0.07 0.00 1.00 0.00 0.00 64.86 64.35 2dvr h ILE 88 Cb 0.64 2.29 -0.00 0.00 -0.74 0.00 0.00 36.82 39.01 2dvr h ILE 88 CO 0.05 0.42 -0.18 0.22 0.00 0.00 0.00 178.15 178.65 2dvr h TYR 89 N -0.33 0.42 -4.10 1.37 3.20 -1.02 -3.47 116.97 113.05 2dvr h TYR 89 Ca -0.00 -0.14 -0.48 0.00 3.14 0.00 0.00 58.73 61.24 2dvr h TYR 89 Cb 0.75 -0.08 0.02 0.00 1.54 0.00 0.00 36.73 38.96 2dvr h TYR 89 CO 0.12 0.79 0.32 -0.80 -1.64 0.00 0.00 178.16 176.95 2dvr s ASN 90 N -6.18 6.53 0.39 -2.11 0.01 -0.95 -5.04 114.94 107.60 2dvr s ASN 90 Ca -0.14 1.44 -0.26 0.00 -0.71 0.00 0.00 52.86 53.18 2dvr s ASN 90 Cb 0.05 -2.46 -0.09 0.00 0.41 0.00 0.00 41.25 39.16 2dvr s ASN 90 CO 0.76 -0.59 1.26 -0.54 -1.51 0.00 0.00 177.10 176.48 2dvr s LYS 91 N -4.22 4.06 0.53 -0.60 1.02 -1.26 -4.89 119.74 114.38 2dvr s LYS 91 Ca 0.56 2.07 0.32 0.00 0.02 0.00 0.00 55.97 58.94 2dvr s LYS 91 Cb -0.10 -2.80 1.47 0.00 -0.52 0.00 0.00 37.83 35.89 2dvr s LYS 91 CO 0.35 -0.38 1.87 -1.35 -0.92 0.00 0.00 175.35 174.92 2dvr h PRO 92 N 2.80 0.02 -0.01 -1.68 0.11 -1.96 -1.94 132.00 129.35 2dvr h PRO 92 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2dvr h PRO 92 Cb 1.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2dvr h PRO 92 CO 0.63 0.01 -0.24 0.25 -0.21 0.00 0.00 178.00 178.45 2dvr n THR 93 N -4.27 0.00 -2.08 -1.15 -2.24 -1.26 -4.86 114.28 98.42 2dvr n THR 93 Ca 0.20 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.48 2dvr n THR 93 Cb 1.00 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 2dvr n THR 93 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dvr s ASP 94 N -2.57 6.73 0.31 3.42 1.01 -0.73 -4.93 116.67 119.91 2dvr s ASP 94 Ca 0.24 2.66 0.05 0.00 0.71 0.00 0.00 52.55 56.20 2dvr s ASP 94 Cb 0.19 -2.64 0.67 0.00 1.01 0.00 0.00 42.92 42.16 2dvr s ASP 94 CO 0.53 -0.60 1.84 0.44 0.21 0.00 0.00 175.17 177.59 2dvr h ASP 95 N 4.18 0.81 -0.89 0.27 3.32 -1.91 -2.26 116.42 119.94 2dvr h ASP 95 Ca -0.47 0.05 0.21 0.00 0.02 0.00 0.00 57.03 56.83 2dvr h ASP 95 Cb 1.22 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.60 2dvr h ASP 95 CO 0.71 0.41 0.60 -0.29 -1.72 0.00 0.00 179.24 178.95 2dvr h ILE 96 N 0.86 0.66 -0.34 0.35 6.09 -1.95 -1.22 117.51 121.96 2dvr h ILE 96 Ca 0.49 -0.12 -0.04 0.00 -1.37 0.00 0.00 64.86 63.82 2dvr h ILE 96 Cb 0.62 0.28 -0.01 0.00 0.47 0.00 0.00 36.82 38.18 2dvr h ILE 96 CO -0.26 0.07 0.06 0.58 -3.07 0.00 0.00 178.15 175.53 2dvr h VAL 97 N 0.36 1.24 0.00 2.19 2.07 -1.72 -0.89 116.25 119.49 2dvr h VAL 97 Ca 0.46 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2dvr h VAL 97 Cb 1.22 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2dvr h VAL 97 CO -0.16 0.28 0.00 0.18 0.02 0.00 0.00 177.57 177.89 2dvr n LEU 98 N -4.59 0.53 0.00 2.57 4.32 -0.46 -1.19 117.00 118.18 2dvr n LEU 98 Ca -0.02 -0.27 0.00 0.00 -0.02 0.00 0.00 56.01 55.71 2dvr n LEU 98 Cb 0.22 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 2dvr n LEU 98 CO 0.38 0.09 0.00 0.00 -1.22 0.00 0.00 177.39 176.65 2dvr n ALA 100 N 0.75 0.00 -0.19 -1.18 0.00 -0.34 -2.11 120.51 117.44 2dvr n ALA 100 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2dvr n ALA 100 Cb 0.09 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.81 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 0.93 -0.20 0.00 4.20 -1.41 0.12 115.11 118.75 2dvr h GLN 101 Ca 0.00 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 2dvr h GLN 101 Cb 0.00 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.57 2dvr h GLN 101 CO 0.00 0.62 -0.34 1.15 -0.67 0.00 0.00 178.83 179.59 2dvr h THR 102 N 0.95 1.33 -0.59 -0.54 2.02 -1.69 -1.83 112.91 112.57 2dvr h THR 102 Ca 0.26 -1.56 -0.06 0.00 0.77 0.00 0.00 66.41 65.81 2dvr h THR 102 Cb -0.10 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 2dvr h THR 102 CO -0.05 0.48 0.12 -0.07 0.37 0.00 0.00 175.52 176.36 2dvr h LEU 103 N 0.24 0.88 -0.86 2.58 3.38 -1.79 -3.00 115.31 116.75 2dvr h LEU 103 Ca 0.01 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 2dvr h LEU 103 Cb 0.93 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2dvr h LEU 103 CO 0.08 0.88 -0.43 -0.08 0.09 0.00 0.00 178.44 178.97 2dvr h GLU 104 N 0.89 0.30 -0.67 1.13 4.81 -0.60 -1.84 114.58 118.60 2dvr h GLU 104 Ca 0.19 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2dvr h GLU 104 Cb 0.36 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 2dvr h GLU 104 CO 0.00 0.68 0.25 0.87 -0.73 0.00 0.00 179.01 180.09 2dvr h LYS 105 N 0.25 1.01 -0.27 1.92 1.57 -1.23 -0.67 116.57 119.14 2dvr h LYS 105 Ca 0.02 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2dvr h LYS 105 Cb 0.86 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2dvr h LYS 105 CO 0.07 0.86 0.13 0.82 -0.57 0.00 0.00 179.45 180.75 2dvr h ILE 106 N 0.96 1.15 -0.57 1.86 2.04 -1.37 0.75 117.51 122.33 2dvr h ILE 106 Ca 0.22 -0.45 0.11 0.00 1.00 0.00 0.00 64.86 65.75 2dvr h ILE 106 Cb 0.23 0.95 -0.11 0.00 -0.74 0.00 0.00 36.82 37.16 2dvr h ILE 106 CO -0.02 0.16 -0.12 0.15 0.00 0.00 0.00 178.15 178.32 2dvr h PHE 107 N 0.30 -0.26 -0.25 1.37 3.57 -0.99 -1.17 116.94 119.51 2dvr h PHE 107 Ca 0.09 0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.45 2dvr h PHE 107 Cb 0.13 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.08 2dvr h PHE 107 CO -0.02 -0.23 -0.58 -0.07 -2.23 0.00 0.00 178.31 175.18 2dvr h LEU 108 N 0.02 0.95 -0.35 0.59 3.38 -0.79 0.37 115.31 119.47 2dvr h LEU 108 Ca 0.28 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.76 2dvr h LEU 108 Cb 0.42 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 2dvr h LEU 108 CO -0.57 1.33 -0.12 1.56 0.09 0.00 0.00 178.44 180.73 2dvr h GLN 109 N 0.61 -0.05 -0.41 1.13 1.08 -0.67 -0.35 115.11 116.45 2dvr h GLN 109 Ca -0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 2dvr h GLN 109 Cb 1.20 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 2dvr h GLN 109 CO 0.13 -0.03 -0.31 0.87 -0.95 0.00 0.00 178.83 178.54 2dvr h LYS 110 N -0.05 0.93 0.00 1.46 1.79 -1.05 -2.65 116.57 117.00 2dvr h LYS 110 Ca 0.17 -0.46 -0.02 0.00 -2.18 0.00 0.00 60.65 58.16 2dvr h LYS 110 Cb 0.31 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2dvr h LYS 110 CO -0.39 1.11 -0.11 0.28 -1.08 0.00 0.00 179.45 179.26 2dvr h VAL 111 N 0.76 0.48 -0.06 0.50 2.07 -0.62 -0.33 116.25 119.04 2dvr h VAL 111 Ca 0.08 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.05 2dvr h VAL 111 Cb 0.90 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2dvr h VAL 111 CO 0.08 0.11 0.14 0.00 0.02 0.00 0.00 177.57 177.92 2dvr h ALA 112 N 1.89 1.42 -3.38 1.67 0.00 -0.68 -3.47 119.26 116.70 2dvr h ALA 112 Ca -0.00 -0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 2dvr h ALA 112 Cb 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.86 2dvr h ALA 112 CO 0.01 -0.17 -0.68 -1.12 0.00 0.00 0.00 179.25 177.30 2dvr s SER 113 N -5.37 4.95 0.31 0.00 0.01 -0.14 -5.12 113.70 108.33 2dvr s SER 113 Ca -0.05 -1.18 0.07 0.00 1.31 0.00 0.00 55.95 56.10 2dvr s SER 113 Cb 0.13 -1.75 -0.02 0.00 0.21 0.00 0.00 66.02 64.59 2dvr s SER 113 CO 0.45 -0.26 0.33 -2.16 0.41 0.00 0.00 173.24 172.01 2dvr s PRO 115 N 1.30 2.95 0.73 12.44 0.04 -1.26 -5.11 135.00 146.10 2dvr s PRO 115 Ca -0.04 -1.11 -0.14 0.00 0.04 0.00 0.00 61.00 59.75 2dvr s PRO 115 Cb -0.19 -2.64 0.04 0.00 0.04 0.00 0.00 34.50 31.75 2dvr s PRO 115 CO -0.00 0.18 1.18 -1.14 0.04 0.00 0.00 177.00 177.26 2dvr s GLN 116 N -4.01 2.17 0.70 4.56 0.74 -1.26 -4.84 119.66 117.72 2dvr s GLN 116 Ca 0.40 1.65 -0.12 0.00 0.05 0.00 0.00 55.36 57.33 2dvr s GLN 116 Cb -0.08 -1.85 0.02 0.00 1.10 0.00 0.00 33.01 32.20 2dvr s GLN 116 CO 0.28 -1.79 1.08 -1.83 -0.55 0.00 0.00 175.29 172.48 2dvr s GLU 117 N -4.04 2.72 0.00 1.67 -1.05 -1.26 -4.72 118.70 112.01 2dvr s GLU 117 Ca 0.72 1.17 0.00 0.00 -0.15 0.00 0.00 54.97 56.71 2dvr s GLU 117 Cb -0.27 -1.95 0.00 0.00 -0.44 0.00 0.00 34.13 31.47 2dvr s GLU 117 CO 0.46 -1.29 0.00 -1.91 0.95 0.00 0.00 175.26 173.47