#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhb n GLN 2 N 0.00 3.47 -1.42 7.34 0.00 -1.26 -5.09 117.38 120.42 2dhb n GLN 2 Ca 0.00 -4.79 -0.42 0.00 -0.00 0.00 0.00 57.00 51.79 2dhb n GLN 2 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 30.24 27.96 2dhb n GLN 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2dhb n LEU 3 N 0.05 -0.68 -4.63 1.69 4.32 -1.26 -4.83 117.00 111.65 2dhb n LEU 3 Ca 0.33 0.89 -0.43 0.00 -0.02 0.00 0.00 56.01 56.78 2dhb n LEU 3 Cb 0.37 -1.06 -0.03 0.00 -1.62 0.00 0.00 43.42 41.09 2dhb n LEU 3 CO 0.39 -3.19 1.69 -0.94 -1.22 0.00 0.00 177.39 174.13 2dhb s SER 4 N -0.97 6.00 0.00 -1.43 1.04 -1.26 -4.82 113.70 112.26 2dhb s SER 4 Ca 0.62 2.23 0.00 0.00 0.48 0.00 0.00 55.95 59.29 2dhb s SER 4 Cb -0.62 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 62.98 2dhb s SER 4 CO 0.59 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.94 2dhb n GLY 5 N 5.10 0.00 0.00 7.32 0.00 -1.26 -0.86 105.19 115.48 2dhb n GLY 5 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2dhb n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dhb n GLU 6 N -1.44 0.00 0.00 1.61 -0.58 -1.26 -3.58 120.64 115.39 2dhb n GLU 6 Ca 0.00 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 2dhb n GLU 6 Cb 0.00 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 2dhb n GLU 6 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2dhb n GLU 7 N -2.10 0.00 0.02 3.49 0.28 -0.04 -1.89 120.64 120.40 2dhb n GLU 7 Ca 0.00 0.26 -0.05 0.00 -0.16 0.00 0.00 57.16 57.22 2dhb n GLU 7 Cb 0.00 -1.64 -0.03 0.00 1.43 0.00 0.00 31.44 31.19 2dhb n GLU 7 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2dhb h LYS 8 N 0.00 -0.17 -1.30 3.44 1.57 -1.58 1.08 116.57 119.62 2dhb h LYS 8 Ca 0.00 0.01 0.39 0.00 -1.87 0.00 0.00 60.65 59.18 2dhb h LYS 8 Cb 0.29 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.54 2dhb h LYS 8 CO 0.00 0.02 0.87 0.00 -0.57 0.00 0.00 179.45 179.77 2dhb h ALA 9 N -0.87 2.79 0.02 3.86 0.00 -1.50 0.56 119.26 124.12 2dhb h ALA 9 Ca -0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2dhb h ALA 9 Cb 0.27 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2dhb h ALA 9 CO 0.03 -1.31 -0.01 0.00 0.00 0.00 0.00 179.25 177.96 2dhb h ALA 10 N 1.51 -0.08 0.00 0.00 0.00 -1.47 0.93 119.26 120.14 2dhb h ALA 10 Ca 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.64 2dhb h ALA 10 Cb 2.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.17 2dhb h ALA 10 CO -0.28 -0.08 0.07 0.28 0.00 0.00 0.00 179.25 179.25 2dhb n VAL 11 N -2.70 1.37 -0.06 0.00 0.31 0.37 0.06 118.33 117.68 2dhb n VAL 11 Ca -0.00 0.61 -0.06 0.00 -0.01 0.00 0.00 64.34 64.88 2dhb n VAL 11 Cb 0.01 -1.61 -0.02 0.00 -0.91 0.00 0.00 33.84 31.31 2dhb n VAL 11 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2dhb n LEU 12 N -1.79 1.35 -0.35 7.52 7.94 0.16 -4.03 117.00 127.80 2dhb n LEU 12 Ca -0.01 0.23 0.29 0.00 -1.11 0.00 0.00 56.01 55.41 2dhb n LEU 12 Cb 0.09 -0.66 0.59 0.00 0.53 0.00 0.00 43.42 43.97 2dhb n LEU 12 CO 0.04 -0.35 1.25 0.00 -1.11 0.00 0.00 177.39 177.22 2dhb h ALA 13 N -1.26 2.55 0.17 1.96 0.00 0.29 0.31 119.26 123.29 2dhb h ALA 13 Ca 0.00 0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 2dhb h ALA 13 Cb 0.69 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.56 2dhb h ALA 13 CO 0.00 -0.98 -1.53 1.25 0.00 0.00 0.00 179.25 177.98 2dhb h LEU 14 N 0.24 0.57 -0.10 0.00 7.12 -0.63 -3.37 115.31 119.15 2dhb h LEU 14 Ca 0.63 -0.72 0.00 0.00 0.13 0.00 0.00 57.88 57.93 2dhb h LEU 14 Cb 1.91 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 41.85 2dhb h LEU 14 CO -0.25 1.58 0.06 -0.25 -0.13 0.00 0.00 178.44 179.46 2dhb h TRP 15 N 0.10 0.12 -0.40 1.25 2.91 -0.57 -3.26 115.95 116.10 2dhb h TRP 15 Ca -0.25 0.00 0.07 0.00 1.13 0.00 0.00 58.89 59.84 2dhb h TRP 15 Cb 2.07 -0.04 -0.07 0.00 -0.51 0.00 0.00 29.16 30.61 2dhb h TRP 15 CO 0.09 0.09 -0.13 -0.25 -1.03 0.00 0.00 178.44 177.21 2dhb n ASP 16 N -5.02 -0.20 -2.18 2.65 10.43 -0.47 0.03 116.55 121.79 2dhb n ASP 16 Ca -0.05 0.69 -0.30 0.00 2.57 0.00 0.00 54.79 57.70 2dhb n ASP 16 Cb 0.03 -0.18 0.08 0.00 1.84 0.00 0.00 41.12 42.89 2dhb n ASP 16 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 2dhb n LYS 17 N -4.62 2.79 -3.08 -1.24 2.85 -1.23 -4.58 118.16 109.05 2dhb n LYS 17 Ca 0.05 -3.45 -0.44 0.00 -1.05 0.00 0.00 58.31 53.42 2dhb n LYS 17 Cb 0.18 -2.25 -0.01 0.00 -0.65 0.00 0.00 35.03 32.31 2dhb n LYS 17 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2dhb s VAL 18 N -4.53 5.28 -0.66 0.58 1.01 0.10 -4.97 120.40 117.22 2dhb s VAL 18 Ca 0.60 -2.65 -0.12 0.00 0.00 0.00 0.00 61.98 59.81 2dhb s VAL 18 Cb 0.48 -4.78 -0.18 0.00 0.00 0.00 0.00 36.38 31.90 2dhb s VAL 18 CO 0.01 -1.44 1.82 0.59 0.00 0.00 0.00 175.10 176.08 2dhb n ASN 19 N 4.90 -0.68 -0.10 3.32 5.03 -1.26 -4.70 115.26 121.77 2dhb n ASN 19 Ca 0.29 -1.27 0.00 0.00 0.87 0.00 0.00 54.58 54.48 2dhb n ASN 19 Cb 0.43 -0.92 0.00 0.00 -1.02 0.00 0.00 39.78 38.27 2dhb n ASN 19 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2dhb n GLU 20 N 6.13 0.00 0.00 3.52 2.13 -1.26 -4.39 120.64 126.77 2dhb n GLU 20 Ca 0.39 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.21 2dhb n GLU 20 Cb 0.35 -0.99 0.00 0.00 0.27 0.00 0.00 31.44 31.07 2dhb n GLU 20 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2dhb n GLU 21 N -0.26 0.00 -0.10 5.31 1.02 -1.26 -3.56 120.64 121.78 2dhb n GLU 21 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 2dhb n GLU 21 Cb 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.54 2dhb n GLU 21 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2dhb n GLU 22 N 0.00 -0.02 -0.01 3.49 0.28 -1.26 -2.74 120.64 120.38 2dhb n GLU 22 Ca 0.00 0.43 -0.13 0.00 -0.16 0.00 0.00 57.16 57.30 2dhb n GLU 22 Cb 0.00 -0.71 -0.10 0.00 1.43 0.00 0.00 31.44 32.06 2dhb n GLU 22 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2dhb h VAL 23 N 0.00 1.36 -0.17 3.84 2.07 -1.81 -2.69 116.25 118.84 2dhb h VAL 23 Ca 0.21 -1.25 -0.21 0.00 0.82 0.00 0.00 66.70 66.26 2dhb h VAL 23 Cb 0.49 2.19 0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2dhb h VAL 23 CO -0.26 0.32 -0.73 1.23 0.02 0.00 0.00 177.57 178.15 2dhb h GLY 24 N -0.59 0.88 2.00 2.17 0.00 -1.56 -3.17 103.07 102.80 2dhb h GLY 24 Ca -0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 47.33 46.06 2dhb h GLY 24 CO 0.01 1.08 -0.27 -1.33 0.00 0.00 0.00 176.54 176.02 2dhb h GLY 25 N 0.54 0.00 1.43 4.60 0.00 -1.59 -0.20 103.07 107.85 2dhb h GLY 25 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.99 2dhb h GLY 25 CO 0.15 0.00 -1.38 -2.09 0.00 0.00 0.00 176.54 173.22 2dhb h GLU 26 N 0.00 0.28 -0.55 4.80 4.81 -1.60 0.25 114.58 122.57 2dhb h GLU 26 Ca -0.00 -0.48 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 2dhb h GLU 26 Cb 0.87 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2dhb h GLU 26 CO 0.03 1.19 0.18 0.00 -0.73 0.00 0.00 179.01 179.68 2dhb h ALA 27 N 0.51 0.72 0.36 2.92 0.00 -1.44 0.29 119.26 122.62 2dhb h ALA 27 Ca -0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2dhb h ALA 27 Cb 2.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 2dhb h ALA 27 CO 0.19 0.38 -0.19 1.25 0.00 0.00 0.00 179.25 180.88 2dhb h LEU 28 N 0.77 -0.47 -0.33 0.00 7.12 -1.04 -1.33 115.31 120.03 2dhb h LEU 28 Ca 0.18 0.02 -0.19 0.00 0.13 0.00 0.00 57.88 58.02 2dhb h LEU 28 Cb 0.27 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.52 2dhb h LEU 28 CO -0.01 -0.32 -0.84 1.23 -0.13 0.00 0.00 178.44 178.37 2dhb h GLY 29 N -0.52 0.18 2.00 3.75 0.00 -0.21 -2.01 103.07 106.26 2dhb h GLY 29 Ca -0.04 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 2dhb h GLY 29 CO 0.06 0.28 -0.39 3.21 0.00 0.00 0.00 176.54 179.70 2dhb h ARG 30 N 0.09 0.00 0.12 4.80 3.08 -0.07 -2.65 114.38 119.75 2dhb h ARG 30 Ca -0.03 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.74 2dhb h ARG 30 Cb 1.46 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.51 2dhb h ARG 30 CO 0.13 0.39 -1.22 1.25 -1.07 0.00 0.00 179.97 179.45 2dhb h LEU 31 N 0.00 0.48 -1.23 3.04 5.85 -0.47 -1.80 115.31 121.18 2dhb h LEU 31 Ca -0.00 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2dhb h LEU 31 Cb 0.86 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2dhb h LEU 31 CO 0.05 1.37 -0.13 0.18 -0.34 0.00 0.00 178.44 179.57 2dhb n LEU 32 N -3.58 2.04 -0.13 2.25 4.32 -1.10 -2.07 117.00 118.73 2dhb n LEU 32 Ca -0.09 -0.68 -0.25 0.00 -0.02 0.00 0.00 56.01 54.97 2dhb n LEU 32 Cb 1.00 -0.02 -0.11 0.00 -1.62 0.00 0.00 43.42 42.67 2dhb n LEU 32 CO 0.54 0.35 -1.31 0.52 -1.22 0.00 0.00 177.39 176.27 2dhb n VAL 33 N 0.42 1.53 -0.06 4.08 0.31 -1.02 -4.62 118.33 118.97 2dhb n VAL 33 Ca 0.14 -0.43 -0.17 0.00 -0.01 0.00 0.00 64.34 63.87 2dhb n VAL 33 Cb 0.46 -1.74 -0.13 0.00 -0.91 0.00 0.00 33.84 31.52 2dhb n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2dhb h VAL 34 N -0.62 1.47 -2.71 2.52 2.07 -1.42 -3.37 116.25 114.19 2dhb h VAL 34 Ca -0.62 -2.33 -0.62 0.00 0.82 0.00 0.00 66.70 63.95 2dhb h VAL 34 Cb 1.70 3.01 -0.41 0.00 -1.52 0.00 0.00 31.29 34.07 2dhb h VAL 34 CO -0.27 0.56 -0.53 -1.22 0.02 0.00 0.00 177.57 176.12 2dhb n TYR 35 N -4.44 3.47 0.68 1.57 4.01 -0.88 -4.97 117.16 116.60 2dhb n TYR 35 Ca -0.17 -4.21 0.09 0.00 -0.16 0.00 0.00 57.90 53.45 2dhb n TYR 35 Cb 0.61 -0.63 0.42 0.00 -0.31 0.00 0.00 39.34 39.42 2dhb n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2dhb n PRO 36 N 1.47 0.01 0.00 -0.72 -0.02 -1.26 -2.73 135.00 131.75 2dhb n PRO 36 Ca 0.24 0.16 0.05 0.00 -2.02 0.00 0.00 63.50 61.94 2dhb n PRO 36 Cb 0.38 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.66 2dhb n PRO 36 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2dhb n TRP 37 N -1.49 0.00 0.70 6.00 2.14 -1.26 -2.65 117.44 120.87 2dhb n TRP 37 Ca 0.05 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.70 2dhb n TRP 37 Cb 0.22 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.62 2dhb n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 2dhb n THR 38 N -0.69 0.00 0.05 -1.67 -2.24 -1.11 -4.01 114.28 104.62 2dhb n THR 38 Ca 0.08 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2dhb n THR 38 Cb 0.04 0.88 0.02 0.00 -2.10 0.00 0.00 70.33 69.17 2dhb n THR 38 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2dhb n GLN 39 N -1.49 0.02 -0.02 -0.78 7.27 -1.09 -2.63 117.38 118.66 2dhb n GLN 39 Ca 0.02 0.21 -0.13 0.00 0.07 0.00 0.00 57.00 57.17 2dhb n GLN 39 Cb 0.29 -1.50 -0.10 0.00 2.41 0.00 0.00 30.24 31.34 2dhb n GLN 39 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 2dhb h ARG 40 N 0.00 0.04 -0.59 3.69 2.43 -1.82 -2.88 114.38 115.25 2dhb h ARG 40 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2dhb h ARG 40 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2dhb h ARG 40 CO 0.00 0.52 0.00 1.19 -1.51 0.00 0.00 179.97 180.17 2dhb n PHE 41 N -4.82 0.36 -1.19 2.20 3.01 -1.08 -4.34 117.46 111.59 2dhb n PHE 41 Ca -0.08 -0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.24 2dhb n PHE 41 Cb 0.26 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 2dhb n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2dhb n PHE 42 N 0.07 0.00 0.94 1.38 3.01 -1.10 -4.68 117.46 117.09 2dhb n PHE 42 Ca 0.06 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.54 2dhb n PHE 42 Cb 0.32 0.02 0.15 0.00 -0.01 0.00 0.00 39.48 39.96 2dhb n PHE 42 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2dhb n ASP 43 N 0.00 0.00 0.32 4.37 10.43 -1.13 -2.18 116.55 128.35 2dhb n ASP 43 Ca 0.00 -0.79 0.17 0.00 2.57 0.00 0.00 54.79 56.74 2dhb n ASP 43 Cb 0.36 0.00 0.87 0.00 1.84 0.00 0.00 41.12 44.19 2dhb n ASP 43 CO 0.00 0.00 0.00 -1.28 -1.07 0.00 0.00 177.20 174.85 2dhb h SER 44 N 0.00 0.00 0.00 -2.24 0.87 -1.91 -3.41 113.55 106.86 2dhb h SER 44 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dhb h SER 44 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2dhb h SER 44 CO 0.00 0.00 0.00 0.49 -0.53 0.00 0.00 176.83 176.79 2dhb n PHE 45 N -3.00 0.00 0.00 2.24 0.99 -0.93 -5.18 117.46 111.58 2dhb n PHE 45 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 2dhb n PHE 45 Cb 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.83 2dhb n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2dhb n GLY 46 N 5.00 3.82 3.55 1.37 0.00 -1.26 -5.08 105.19 112.59 2dhb n GLY 46 Ca 0.00 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 2dhb n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dhb s ASP 47 N 1.00 5.47 -0.65 1.61 3.68 -1.26 -4.87 116.67 121.66 2dhb s ASP 47 Ca 0.00 -0.21 0.05 0.00 2.13 0.00 0.00 52.55 54.52 2dhb s ASP 47 Cb 0.00 -2.55 0.17 0.00 -1.45 0.00 0.00 42.92 39.10 2dhb s ASP 47 CO 0.00 -2.32 0.48 0.18 0.13 0.00 0.00 175.17 173.63 2dhb n LEU 48 N 12.25 2.36 0.00 -1.34 4.77 -1.26 -3.86 117.00 129.92 2dhb n LEU 48 Ca 0.24 -5.06 0.00 0.00 -0.03 0.00 0.00 56.01 51.17 2dhb n LEU 48 Cb 0.50 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2dhb n LEU 48 CO 0.68 1.79 0.00 -1.54 -1.33 0.00 0.00 177.39 176.99 2dhb n SER 49 N 2.08 0.00 -3.64 -1.43 3.41 -1.26 -5.06 113.62 107.71 2dhb n SER 49 Ca 0.22 -0.63 -0.03 0.00 -0.26 0.00 0.00 58.87 58.17 2dhb n SER 49 Cb 0.38 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.26 2dhb n SER 49 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2dhb s ASN 50 N 0.00 -0.53 0.32 4.04 3.84 -1.26 -5.11 114.94 116.23 2dhb s ASN 50 Ca 0.00 0.85 0.20 0.00 0.21 0.00 0.00 52.86 54.12 2dhb s ASN 50 Cb 0.00 1.22 0.16 0.00 -0.55 0.00 0.00 41.25 42.08 2dhb s ASN 50 CO 0.00 -0.13 1.38 -0.65 -2.79 0.00 0.00 177.10 174.91 2dhb h PRO 51 N 6.11 0.00 -1.15 0.43 0.11 -1.98 -3.21 132.00 132.30 2dhb h PRO 51 Ca -0.28 0.00 0.33 0.00 0.11 0.00 0.00 66.00 66.16 2dhb h PRO 51 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 2dhb h PRO 51 CO 0.20 0.15 0.89 0.78 -0.21 0.00 0.00 178.00 179.81 2dhb h GLY 52 N 3.85 0.00 0.00 -0.55 0.00 -1.99 -0.11 103.07 104.27 2dhb h GLY 52 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2dhb h GLY 52 CO 0.02 0.00 -0.87 0.00 0.00 0.00 0.00 176.54 175.69 2dhb n ALA 53 N -2.68 2.51 -0.01 3.60 0.00 -1.23 -0.94 120.51 121.77 2dhb n ALA 53 Ca 0.25 -0.17 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 2dhb n ALA 53 Cb 1.27 -0.23 0.13 0.00 0.00 0.00 0.00 19.45 20.61 2dhb n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dhb h VAL 54 N 0.00 1.29 0.02 0.00 2.07 -1.05 -2.14 116.25 116.44 2dhb h VAL 54 Ca 0.00 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 2dhb h VAL 54 Cb 0.24 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2dhb h VAL 54 CO 0.00 0.47 -0.01 0.24 0.02 0.00 0.00 177.57 178.30 2dhb h MET 55 N 0.46 -0.02 0.00 1.57 2.86 -1.51 -3.04 114.93 115.24 2dhb h MET 55 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2dhb h MET 55 Cb 0.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2dhb h MET 55 CO 0.07 0.74 0.26 0.78 1.06 0.00 0.00 176.91 179.82 2dhb h GLY 56 N -0.84 0.00 -5.50 8.32 0.00 -1.12 -3.42 103.07 100.50 2dhb h GLY 56 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.75 2dhb h GLY 56 CO 0.00 0.00 0.86 0.21 0.00 0.00 0.00 176.54 177.62 2dhb s ASN 57 N -4.20 6.93 0.15 0.19 3.84 -0.81 -4.97 114.94 116.08 2dhb s ASN 57 Ca -0.03 1.24 -0.11 0.00 0.21 0.00 0.00 52.86 54.17 2dhb s ASN 57 Cb 0.08 -2.54 0.01 0.00 -0.55 0.00 0.00 41.25 38.25 2dhb s ASN 57 CO 0.24 -0.85 1.57 -0.65 -2.79 0.00 0.00 177.10 174.62 2dhb h PRO 58 N 8.15 0.94 -0.04 0.43 0.11 -1.85 -1.96 132.00 137.78 2dhb h PRO 58 Ca -0.22 -0.35 -0.11 0.00 0.11 0.00 0.00 66.00 65.43 2dhb h PRO 58 Cb 1.07 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2dhb h PRO 58 CO 1.01 1.02 -0.46 -0.22 -0.21 0.00 0.00 178.00 179.14 2dhb h LYS 59 N 0.80 0.09 0.42 1.05 1.63 -1.96 -2.44 116.57 116.17 2dhb h LYS 59 Ca 0.13 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 2dhb h LYS 59 Cb 0.66 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 2dhb h LYS 59 CO 0.05 0.54 -0.20 0.28 -3.45 0.00 0.00 179.45 176.67 2dhb h VAL 60 N 0.08 0.14 -0.96 2.00 2.07 -1.88 0.26 116.25 117.96 2dhb h VAL 60 Ca 0.00 -0.62 0.28 0.00 0.82 0.00 0.00 66.70 67.18 2dhb h VAL 60 Cb 0.85 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2dhb h VAL 60 CO 0.06 0.03 0.69 0.50 0.02 0.00 0.00 177.57 178.87 2dhb h LYS 61 N -1.11 0.02 0.03 1.57 3.64 -1.42 1.02 116.57 120.32 2dhb h LYS 61 Ca -0.06 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 2dhb h LYS 61 Cb 0.48 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2dhb h LYS 61 CO 0.09 0.01 -0.72 0.00 -2.27 0.00 0.00 179.45 176.57 2dhb h ALA 62 N 1.53 0.12 -0.68 5.00 0.00 -1.20 -2.80 119.26 121.22 2dhb h ALA 62 Ca 0.46 -0.86 0.04 0.00 0.00 0.00 0.00 54.91 54.55 2dhb h ALA 62 Cb 1.80 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 19.89 2dhb h ALA 62 CO -0.01 0.40 0.41 1.25 0.00 0.00 0.00 179.25 181.30 2dhb h HIS 63 N -0.86 0.77 -0.24 0.00 -0.00 0.32 -2.58 115.15 112.56 2dhb h HIS 63 Ca -0.18 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.24 2dhb h HIS 63 Cb 1.26 -0.25 -0.05 0.00 -0.00 0.00 0.00 27.41 28.38 2dhb h HIS 63 CO 0.19 0.41 -0.37 0.78 -0.00 0.00 0.00 177.93 178.94 2dhb h GLY 64 N 0.79 -1.32 0.19 5.26 0.00 0.73 0.64 103.07 109.35 2dhb h GLY 64 Ca 0.29 0.75 0.09 0.00 0.00 0.00 0.00 47.33 48.46 2dhb h GLY 64 CO -0.14 -0.33 0.00 1.70 0.00 0.00 0.00 176.54 177.77 2dhb h LYS 65 N -0.28 0.11 -0.09 4.80 3.64 -1.21 -2.23 116.57 121.31 2dhb h LYS 65 Ca 0.04 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 2dhb h LYS 65 Cb 0.40 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2dhb h LYS 65 CO -0.38 0.08 -0.40 -0.22 -2.27 0.00 0.00 179.45 176.26 2dhb h LYS 66 N 0.12 0.21 -0.11 1.90 3.64 -0.50 0.11 116.57 121.93 2dhb h LYS 66 Ca 0.25 -0.09 -0.21 0.00 -1.27 0.00 0.00 60.65 59.32 2dhb h LYS 66 Cb 0.37 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2dhb h LYS 66 CO -0.41 0.58 -0.77 0.28 -2.27 0.00 0.00 179.45 176.86 2dhb h VAL 67 N 0.17 1.32 0.16 2.00 2.07 -0.85 -1.99 116.25 119.13 2dhb h VAL 67 Ca 0.02 -2.07 -0.29 0.00 0.82 0.00 0.00 66.70 65.18 2dhb h VAL 67 Cb 0.79 2.06 0.02 0.00 -1.52 0.00 0.00 31.29 32.64 2dhb h VAL 67 CO 0.06 0.64 -1.29 -0.07 0.02 0.00 0.00 177.57 176.93 2dhb h LEU 68 N 0.41 0.61 -0.82 2.57 3.38 -1.30 -2.09 115.31 118.07 2dhb h LEU 68 Ca -0.05 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 2dhb h LEU 68 Cb 1.38 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 2dhb h LEU 68 CO 0.15 1.48 0.40 -0.74 0.09 0.00 0.00 178.44 179.82 2dhb h HIS 69 N 0.13 1.18 -0.00 1.13 2.76 -0.72 -0.92 115.15 118.71 2dhb h HIS 69 Ca -0.17 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 2dhb h HIS 69 Cb 2.00 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 30.59 2dhb h HIS 69 CO 0.09 0.85 -0.16 0.45 -1.30 0.00 0.00 177.93 177.86 2dhb n SER 70 N -4.34 0.16 0.07 3.26 2.88 -0.75 -1.93 113.62 112.97 2dhb n SER 70 Ca 0.08 0.25 -0.12 0.00 -1.33 0.00 0.00 58.87 57.75 2dhb n SER 70 Cb 0.13 -0.26 -0.13 0.00 -0.75 0.00 0.00 64.21 63.21 2dhb n SER 70 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2dhb h PHE 71 N 0.00 0.23 -0.07 0.66 3.57 -0.47 -3.31 116.94 117.57 2dhb h PHE 71 Ca 0.00 -0.17 -0.14 0.00 3.53 0.00 0.00 57.97 61.19 2dhb h PHE 71 Cb 0.50 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2dhb h PHE 71 CO 0.00 1.15 -0.58 0.78 -2.23 0.00 0.00 178.31 177.43 2dhb h GLY 72 N 2.38 0.24 2.00 2.40 0.00 -0.69 -0.29 103.07 109.11 2dhb h GLY 72 Ca -0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2dhb h GLY 72 CO 0.15 0.26 -0.11 0.83 0.00 0.00 0.00 176.54 177.68 2dhb h GLU 73 N 0.16 0.00 0.31 4.80 5.08 -1.63 -2.55 114.58 120.76 2dhb h GLU 73 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2dhb h GLU 73 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2dhb h GLU 73 CO 0.09 0.11 -0.15 0.78 -1.00 0.00 0.00 179.01 178.84 2dhb h GLY 74 N 1.07 -0.44 0.02 -3.84 0.00 -1.20 -2.74 103.07 95.94 2dhb h GLY 74 Ca -0.00 0.16 0.16 0.00 0.00 0.00 0.00 47.33 47.65 2dhb h GLY 74 CO 0.01 -0.16 0.29 -2.08 0.00 0.00 0.00 176.54 174.60 2dhb h VAL 75 N -1.11 0.59 -0.04 4.60 2.07 -1.30 0.44 116.25 121.50 2dhb h VAL 75 Ca -0.04 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2dhb h VAL 75 Cb 0.33 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2dhb h VAL 75 CO 0.07 0.07 0.00 1.41 0.02 0.00 0.00 177.57 179.14 2dhb n HIS 76 N -5.05 0.05 -2.46 1.57 -0.00 -0.97 -2.91 115.22 105.45 2dhb n HIS 76 Ca 0.16 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.72 57.85 2dhb n HIS 76 Cb 0.47 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.48 2dhb n HIS 76 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2dhb n HIS 77 N -0.45 -0.05 0.81 4.41 -0.00 0.15 -5.00 115.22 115.08 2dhb n HIS 77 Ca 0.18 -1.02 0.06 0.00 -0.00 0.00 0.00 57.72 56.93 2dhb n HIS 77 Cb 0.18 0.27 0.34 0.00 -0.00 0.00 0.00 29.99 30.77 2dhb n HIS 77 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2dhb n LEU 78 N -0.17 0.00 0.01 2.41 7.94 -0.76 -3.26 117.00 123.17 2dhb n LEU 78 Ca -0.07 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.82 2dhb n LEU 78 Cb 0.92 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.86 2dhb n LEU 78 CO -0.06 0.00 0.08 0.44 -1.11 0.00 0.00 177.39 176.74 2dhb h ASP 79 N 0.00 -0.05 -2.97 1.96 3.45 -1.89 -3.40 116.42 113.51 2dhb h ASP 79 Ca 0.00 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.85 2dhb h ASP 79 Cb 0.00 0.01 -0.41 0.00 -0.56 0.00 0.00 39.33 38.37 2dhb h ASP 79 CO 0.00 0.09 -0.65 0.21 -1.57 0.00 0.00 179.24 177.31 2dhb s ASN 80 N -3.57 4.15 -0.00 6.45 3.84 -1.20 -4.95 114.94 119.66 2dhb s ASN 80 Ca -0.01 -3.69 -0.02 0.00 0.21 0.00 0.00 52.86 49.36 2dhb s ASN 80 Cb 0.00 -1.40 -0.01 0.00 -0.55 0.00 0.00 41.25 39.30 2dhb s ASN 80 CO 0.03 -0.10 0.60 -0.07 -2.79 0.00 0.00 177.10 174.76 2dhb h LEU 81 N 5.46 -0.05 -0.23 3.21 3.38 -1.78 -3.36 115.31 121.94 2dhb h LEU 81 Ca 0.17 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.20 2dhb h LEU 81 Cb 0.79 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2dhb h LEU 81 CO 0.65 -0.02 0.18 2.29 0.09 0.00 0.00 178.44 181.63 2dhb n LYS 82 N -2.25 0.00 -0.01 1.13 2.85 -1.26 0.62 118.16 119.24 2dhb n LYS 82 Ca -0.01 0.14 -0.01 0.00 -1.05 0.00 0.00 58.31 57.38 2dhb n LYS 82 Cb 0.02 -0.33 -0.00 0.00 -0.65 0.00 0.00 35.03 34.07 2dhb n LYS 82 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2dhb h GLY 83 N 0.00 -0.06 -0.38 2.58 0.00 -1.93 -1.12 103.07 102.17 2dhb h GLY 83 Ca 0.11 0.02 0.24 0.00 0.00 0.00 0.00 47.33 47.70 2dhb h GLY 83 CO -0.00 -0.02 0.34 -0.84 0.00 0.00 0.00 176.54 176.02 2dhb h THR 84 N -0.75 0.36 0.00 4.70 2.02 0.04 -3.20 112.91 116.08 2dhb h THR 84 Ca -0.01 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2dhb h THR 84 Cb 0.04 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2dhb h THR 84 CO 0.01 0.05 -1.11 0.49 0.37 0.00 0.00 175.52 175.33 2dhb n PHE 85 N -5.14 0.52 -0.31 3.16 3.01 -0.63 -4.53 117.46 113.54 2dhb n PHE 85 Ca 0.23 0.15 0.31 0.00 1.01 0.00 0.00 57.45 59.15 2dhb n PHE 85 Cb 0.72 -0.67 0.57 0.00 -0.01 0.00 0.00 39.48 40.10 2dhb n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dhb n ALA 86 N -2.02 0.99 0.12 4.37 0.00 -0.42 -0.58 120.51 122.97 2dhb n ALA 86 Ca 0.00 1.00 -0.19 0.00 0.00 0.00 0.00 53.44 54.25 2dhb n ALA 86 Cb 0.50 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 18.81 2dhb n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhb h ALA 87 N 1.95 0.02 0.00 0.00 0.00 -1.82 -0.79 119.26 118.63 2dhb h ALA 87 Ca 0.82 -0.90 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 2dhb h ALA 87 Cb 2.17 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 20.02 2dhb h ALA 87 CO -0.75 0.90 -1.08 -0.07 0.00 0.00 0.00 179.25 178.24 2dhb h LEU 88 N 0.10 0.00 -0.52 0.00 3.38 -1.58 0.27 115.31 116.96 2dhb h LEU 88 Ca -0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2dhb h LEU 88 Cb 2.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.77 2dhb h LEU 88 CO 0.22 0.85 0.26 -1.28 0.09 0.00 0.00 178.44 178.58 2dhb h SER 89 N 0.00 0.67 0.24 -0.43 0.87 -0.78 0.77 113.55 114.89 2dhb h SER 89 Ca -0.08 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.25 2dhb h SER 89 Cb 1.72 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 2dhb h SER 89 CO 0.10 0.60 -0.43 -0.08 -0.53 0.00 0.00 176.83 176.48 2dhb h GLU 90 N 0.69 0.25 0.08 2.24 4.81 -0.94 -2.59 114.58 119.13 2dhb h GLU 90 Ca 0.18 -0.12 -0.32 0.00 -0.13 0.00 0.00 59.36 58.97 2dhb h GLU 90 Cb 0.10 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2dhb h GLU 90 CO -0.02 0.64 -1.69 1.25 -0.73 0.00 0.00 179.01 178.46 2dhb h LEU 91 N 0.21 0.28 0.00 1.64 6.46 -0.12 -3.10 115.31 120.67 2dhb h LEU 91 Ca 0.02 -0.49 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 2dhb h LEU 91 Cb 0.85 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2dhb h LEU 91 CO 0.07 1.43 0.00 1.41 -0.62 0.00 0.00 178.44 180.72 2dhb n HIS 92 N -3.35 0.00 -0.04 1.25 8.25 0.26 -2.10 115.22 119.49 2dhb n HIS 92 Ca -0.20 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.22 2dhb n HIS 92 Cb 1.04 -0.43 -0.01 0.00 1.12 0.00 0.00 29.99 31.71 2dhb n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dhb n ASP 94 N -3.49 0.04 0.00 0.00 8.00 -1.17 -3.91 116.55 116.02 2dhb n ASP 94 Ca -0.07 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2dhb n ASP 94 Cb 0.25 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 2dhb n ASP 94 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2dhb n LYS 95 N -1.40 0.68 -0.03 -1.24 4.81 -0.89 -4.96 118.16 115.13 2dhb n LYS 95 Ca 0.10 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.55 2dhb n LYS 95 Cb 0.30 -0.96 -0.10 0.00 0.02 0.00 0.00 35.03 34.30 2dhb n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2dhb n LEU 96 N -2.32 0.00 -1.37 3.14 4.32 -1.14 -5.03 117.00 114.61 2dhb n LEU 96 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 2dhb n LEU 96 Cb 0.46 0.13 -0.03 0.00 -1.62 0.00 0.00 43.42 42.36 2dhb n LEU 96 CO 0.00 0.13 -0.16 1.41 -1.22 0.00 0.00 177.39 177.55 2dhb n HIS 97 N -2.16 -0.40 -2.66 -1.77 8.25 -1.16 -4.93 115.22 110.39 2dhb n HIS 97 Ca -0.10 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.93 2dhb n HIS 97 Cb 0.58 -2.77 -0.02 0.00 1.12 0.00 0.00 29.99 28.90 2dhb n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2dhb s VAL 98 N -2.62 4.70 -0.42 1.59 1.01 -1.20 -4.95 120.40 118.50 2dhb s VAL 98 Ca 0.00 2.01 -0.27 0.00 0.00 0.00 0.00 61.98 63.72 2dhb s VAL 98 Cb 0.00 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 2dhb s VAL 98 CO 0.00 -0.10 2.37 -0.67 0.00 0.00 0.00 175.10 176.69 2dhb n ASP 99 N 5.79 2.55 0.00 3.32 -0.08 -1.26 -4.81 116.55 122.06 2dhb n ASP 99 Ca 0.11 -0.29 0.06 0.00 -1.51 0.00 0.00 54.79 53.16 2dhb n ASP 99 Cb 0.47 -1.56 0.32 0.00 2.34 0.00 0.00 41.12 42.69 2dhb n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2dhb n PRO 100 N 8.92 0.18 -0.08 -0.67 -0.02 -1.26 -0.67 135.00 141.40 2dhb n PRO 100 Ca 0.36 0.16 -0.06 0.00 -2.02 0.00 0.00 63.50 61.94 2dhb n PRO 100 Cb 0.51 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.60 2dhb n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2dhb h GLU 101 N 0.00 0.75 0.00 -0.52 4.57 -1.99 -2.90 114.58 114.49 2dhb h GLU 101 Ca 0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2dhb h GLU 101 Cb 0.12 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2dhb h GLU 101 CO 0.00 0.87 0.00 0.09 -1.18 0.00 0.00 179.01 178.79 2dhb n ASN 102 N -4.14 0.19 -0.01 1.04 5.03 0.15 -1.34 115.26 116.18 2dhb n ASN 102 Ca 0.01 0.57 -0.19 0.00 0.87 0.00 0.00 54.58 55.83 2dhb n ASN 102 Cb 0.40 -0.60 -0.14 0.00 -1.02 0.00 0.00 39.78 38.42 2dhb n ASN 102 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 2dhb h PHE 103 N 0.00 0.33 -0.17 3.10 0.04 -1.64 -3.00 116.94 115.60 2dhb h PHE 103 Ca 0.00 -0.24 -0.05 0.00 2.80 0.00 0.00 57.97 60.48 2dhb h PHE 103 Cb 0.11 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 2dhb h PHE 103 CO 0.00 1.34 -0.13 0.00 -0.60 0.00 0.00 178.31 178.92 2dhb h ARG 104 N -0.57 0.27 -0.11 1.51 3.08 -1.31 -2.13 114.38 115.12 2dhb h ARG 104 Ca -0.19 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 2dhb h ARG 104 Cb 1.50 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 2dhb h ARG 104 CO 0.04 0.41 -0.36 -0.07 -1.07 0.00 0.00 179.97 178.92 2dhb h LEU 105 N 0.25 0.22 0.00 3.04 3.38 -1.59 -2.52 115.31 118.09 2dhb h LEU 105 Ca 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2dhb h LEU 105 Cb 0.40 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2dhb h LEU 105 CO 0.02 0.58 -0.96 -0.11 0.09 0.00 0.00 178.44 178.06 2dhb n LEU 106 N -4.07 0.81 -0.04 1.67 7.94 -0.83 -3.32 117.00 119.15 2dhb n LEU 106 Ca -0.01 0.29 -0.17 0.00 -1.11 0.00 0.00 56.01 55.00 2dhb n LEU 106 Cb 0.44 -0.08 -0.13 0.00 0.53 0.00 0.00 43.42 44.18 2dhb n LEU 106 CO 0.41 -0.15 0.10 1.23 -1.11 0.00 0.00 177.39 177.86 2dhb h GLY 107 N 4.11 0.10 0.11 -3.96 0.00 -1.19 -1.34 103.07 100.90 2dhb h GLY 107 Ca 0.00 -0.25 0.24 0.00 0.00 0.00 0.00 47.33 47.33 2dhb h GLY 107 CO 0.00 0.21 0.64 3.43 0.00 0.00 0.00 176.54 180.83 2dhb h ASN 108 N -0.81 0.33 0.12 0.19 4.21 -1.62 0.16 115.58 118.16 2dhb h ASN 108 Ca -0.11 0.04 -0.19 0.00 1.21 0.00 0.00 56.30 57.25 2dhb h ASN 108 Cb 1.25 -0.01 0.01 0.00 -1.12 0.00 0.00 38.32 38.45 2dhb h ASN 108 CO 0.00 0.10 -0.87 0.58 -1.29 0.00 0.00 177.43 175.95 2dhb h VAL 109 N 0.31 1.43 0.13 2.81 2.07 -1.64 -3.19 116.25 118.16 2dhb h VAL 109 Ca 0.51 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.54 2dhb h VAL 109 Cb 1.43 3.10 -0.01 0.00 -1.52 0.00 0.00 31.29 34.29 2dhb h VAL 109 CO -0.17 0.69 -0.11 0.25 0.02 0.00 0.00 177.57 178.25 2dhb h LEU 110 N -0.44 -0.28 0.00 2.57 5.85 -0.86 -0.35 115.31 121.80 2dhb h LEU 110 Ca -0.17 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2dhb h LEU 110 Cb 1.60 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.72 2dhb h LEU 110 CO 0.11 -0.17 0.00 0.00 -0.34 0.00 0.00 178.44 178.04 2dhb n ALA 111 N -2.28 1.48 -0.05 1.25 0.00 0.53 -0.00 120.51 121.44 2dhb n ALA 111 Ca -0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 2dhb n ALA 111 Cb 0.15 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 2dhb n ALA 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2dhb n LEU 112 N -1.12 2.35 -0.06 0.00 0.00 -1.05 -2.76 117.00 114.37 2dhb n LEU 112 Ca 0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 56.01 55.92 2dhb n LEU 112 Cb 0.01 -0.25 0.13 0.00 0.00 0.00 0.00 43.42 43.31 2dhb n LEU 112 CO 0.02 0.58 0.73 0.58 0.00 0.00 0.00 177.39 179.30 2dhb h VAL 113 N 0.00 1.27 0.01 1.96 2.07 0.14 -3.04 116.25 118.66 2dhb h VAL 113 Ca -0.24 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 2dhb h VAL 113 Cb 1.40 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2dhb h VAL 113 CO -0.03 0.42 -0.01 0.58 0.02 0.00 0.00 177.57 178.56 2dhb h VAL 114 N 0.61 1.30 -0.54 2.57 2.07 -1.03 -1.39 116.25 119.84 2dhb h VAL 114 Ca 0.09 -0.95 0.09 0.00 0.82 0.00 0.00 66.70 66.74 2dhb h VAL 114 Cb 0.68 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 2dhb h VAL 114 CO 0.05 0.25 0.36 0.00 0.02 0.00 0.00 177.57 178.25 2dhb h ALA 115 N 0.55 2.02 0.05 1.67 0.00 -1.61 0.32 119.26 122.26 2dhb h ALA 115 Ca -0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 2dhb h ALA 115 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2dhb h ALA 115 CO 0.00 -0.13 -1.39 -0.09 0.00 0.00 0.00 179.25 177.64 2dhb h ARG 116 N 0.37 0.11 0.00 0.00 2.43 -1.40 -0.68 114.38 115.21 2dhb h ARG 116 Ca 0.24 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2dhb h ARG 116 Cb 0.48 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2dhb h ARG 116 CO -0.06 0.93 -0.20 0.45 -1.51 0.00 0.00 179.97 179.58 2dhb h HIS 117 N 0.03 0.00 0.00 2.20 3.86 0.20 -3.33 115.15 118.11 2dhb h HIS 117 Ca -0.17 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.76 2dhb h HIS 117 Cb 1.93 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 30.35 2dhb h HIS 117 CO 0.03 0.20 -2.05 1.19 0.86 0.00 0.00 177.93 178.16 2dhb n PHE 118 N -3.22 0.00 0.00 2.45 3.01 -0.85 -5.05 117.46 113.80 2dhb n PHE 118 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2dhb n PHE 118 Cb 0.52 -0.72 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 2dhb n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dhb n GLY 119 N 2.54 2.14 0.33 1.37 0.00 -0.26 -3.69 105.19 107.62 2dhb n GLY 119 Ca -0.32 0.31 0.20 0.00 0.00 0.00 0.00 46.02 46.22 2dhb n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dhb h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.96 0.42 116.57 118.21 2dhb h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dhb h LYS 120 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2dhb h LYS 120 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 2dhb n ASP 121 N -3.27 0.25 -4.05 0.86 8.00 -1.24 -4.63 116.55 112.47 2dhb n ASP 121 Ca -0.03 0.53 -0.33 0.00 0.71 0.00 0.00 54.79 55.67 2dhb n ASP 121 Cb 0.12 -0.59 -0.13 0.00 -0.02 0.00 0.00 41.12 40.50 2dhb n ASP 121 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2dhb s PHE 122 N -3.04 3.55 0.33 1.24 5.36 0.15 -5.00 117.98 120.58 2dhb s PHE 122 Ca 0.12 -2.80 -0.03 0.00 -0.96 0.00 0.00 56.93 53.26 2dhb s PHE 122 Cb 0.16 -3.05 -0.04 0.00 -0.34 0.00 0.00 43.02 39.74 2dhb s PHE 122 CO 0.52 -0.91 0.58 0.95 -1.46 0.00 0.00 175.22 174.91 2dhb s THR 123 N 0.63 5.03 0.00 0.12 -4.23 -1.26 -4.83 115.64 111.10 2dhb s THR 123 Ca 0.12 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2dhb s THR 123 Cb -0.22 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.83 2dhb s THR 123 CO -0.05 -0.46 0.00 -0.81 -0.54 0.00 0.00 174.62 172.76 2dhb n PRO 124 N -1.36 0.00 -0.27 3.99 -0.04 -1.26 -0.35 135.00 135.70 2dhb n PRO 124 Ca -0.02 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.53 2dhb n PRO 124 Cb 0.55 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.20 2dhb n PRO 124 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dhb n GLU 125 N -0.02 -0.06 -0.01 0.54 4.71 -1.26 -1.05 120.64 123.48 2dhb n GLU 125 Ca 0.00 1.18 -0.15 0.00 -0.01 0.00 0.00 57.16 58.18 2dhb n GLU 125 Cb 0.00 -1.85 -0.14 0.00 -1.01 0.00 0.00 31.44 28.44 2dhb n GLU 125 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2dhb n LEU 126 N -5.15 1.82 0.12 -4.62 4.77 -1.23 -3.66 117.00 109.05 2dhb n LEU 126 Ca 0.17 0.29 0.01 0.00 -0.03 0.00 0.00 56.01 56.45 2dhb n LEU 126 Cb 0.54 -0.52 0.34 0.00 -2.33 0.00 0.00 43.42 41.45 2dhb n LEU 126 CO -0.07 0.65 0.80 -0.61 -1.33 0.00 0.00 177.39 176.83 2dhb h GLN 127 N 0.04 0.21 -0.25 3.23 4.15 0.10 -2.44 115.11 120.16 2dhb h GLN 127 Ca -0.37 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 58.89 2dhb h GLN 127 Cb 2.03 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.68 2dhb h GLN 127 CO 0.08 0.44 -0.27 0.00 -1.93 0.00 0.00 178.83 177.16 2dhb h ALA 128 N 1.57 1.08 0.00 3.38 0.00 -1.43 0.83 119.26 124.69 2dhb h ALA 128 Ca 0.03 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 2dhb h ALA 128 Cb 0.53 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2dhb h ALA 128 CO 0.04 0.57 -0.75 0.77 0.00 0.00 0.00 179.25 179.87 2dhb h SER 129 N 0.42 0.00 0.51 0.00 0.02 -1.60 -1.53 113.55 111.37 2dhb h SER 129 Ca 0.06 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.72 2dhb h SER 129 Cb 0.69 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.20 2dhb h SER 129 CO 0.05 0.68 -1.61 1.88 -1.14 0.00 0.00 176.83 176.68 2dhb h TYR 130 N 0.00 0.14 0.00 3.45 0.05 -1.14 -2.33 116.97 117.14 2dhb h TYR 130 Ca -0.02 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.65 2dhb h TYR 130 Cb 1.54 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.27 2dhb h TYR 130 CO 0.00 1.17 0.00 1.96 -1.05 0.00 0.00 178.16 180.24 2dhb h GLN 131 N 0.02 0.00 0.09 4.88 1.08 -0.74 0.14 115.11 120.59 2dhb h GLN 131 Ca -0.26 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.66 2dhb h GLN 131 Cb 1.98 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.40 2dhb h GLN 131 CO 0.10 0.00 -1.40 0.87 -0.95 0.00 0.00 178.83 177.45 2dhb h LYS 132 N 0.00 0.18 0.00 1.46 1.57 -1.22 -3.31 116.57 115.26 2dhb h LYS 132 Ca 0.00 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 2dhb h LYS 132 Cb 0.46 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2dhb h LYS 132 CO 0.00 1.05 -0.31 0.28 -0.57 0.00 0.00 179.45 179.90 2dhb h VAL 133 N 0.05 0.59 -0.87 0.50 2.07 -0.83 -3.22 116.25 114.54 2dhb h VAL 133 Ca -0.19 -1.52 0.20 0.00 0.82 0.00 0.00 66.70 66.01 2dhb h VAL 133 Cb 1.96 1.20 -0.12 0.00 -1.52 0.00 0.00 31.29 32.81 2dhb h VAL 133 CO 0.16 0.20 0.38 1.62 0.02 0.00 0.00 177.57 179.95 2dhb h VAL 134 N -1.00 0.53 -0.02 2.57 3.04 -0.91 0.92 116.25 121.38 2dhb h VAL 134 Ca -0.06 -0.15 -0.18 0.00 -1.01 0.00 0.00 66.70 65.31 2dhb h VAL 134 Cb 0.57 0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.90 2dhb h VAL 134 CO -0.03 0.08 -0.80 0.00 -1.01 0.00 0.00 177.57 175.81 2dhb h ALA 135 N 1.67 0.62 0.04 3.17 0.00 -1.73 -2.26 119.26 120.77 2dhb h ALA 135 Ca 0.53 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2dhb h ALA 135 Cb 0.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2dhb h ALA 135 CO -0.49 0.86 -0.02 0.78 0.00 0.00 0.00 179.25 180.38 2dhb h GLY 136 N 1.73 -0.06 0.87 0.00 0.00 -0.89 -1.25 103.07 103.48 2dhb h GLY 136 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2dhb h GLY 136 CO 0.12 -0.02 -0.01 -2.08 0.00 0.00 0.00 176.54 174.55 2dhb h VAL 137 N -0.07 1.07 -0.00 4.60 2.07 -1.22 -2.05 116.25 120.65 2dhb h VAL 137 Ca -0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2dhb h VAL 137 Cb 0.06 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2dhb h VAL 137 CO 0.01 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.68 2dhb h ALA 138 N 0.80 1.83 0.00 1.67 0.00 -0.84 0.10 119.26 122.82 2dhb h ALA 138 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dhb h ALA 138 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2dhb h ALA 138 CO 0.01 -0.00 -1.17 0.09 0.00 0.00 0.00 179.25 178.18 2dhb n ASN 139 N -4.28 0.58 0.02 0.00 4.13 -0.52 0.78 115.26 115.97 2dhb n ASN 139 Ca -0.03 -0.27 -0.19 0.00 1.68 0.00 0.00 54.58 55.77 2dhb n ASN 139 Cb 0.09 0.99 -0.14 0.00 -1.54 0.00 0.00 39.78 39.18 2dhb n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dhb h ALA 140 N 2.51 0.42 0.00 5.41 0.00 -0.91 -3.36 119.26 123.33 2dhb h ALA 140 Ca 0.00 -1.32 -0.11 0.00 0.00 0.00 0.00 54.91 53.48 2dhb h ALA 140 Cb 0.75 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2dhb h ALA 140 CO 0.00 1.29 -0.52 -0.07 0.00 0.00 0.00 179.25 179.94 2dhb h LEU 141 N 0.07 0.00 -0.23 0.00 3.38 -0.75 -3.06 115.31 114.71 2dhb h LEU 141 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2dhb h LEU 141 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 2dhb h LEU 141 CO 0.11 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.17 2dhb n ALA 142 N -2.42 2.66 -1.00 1.53 0.00 0.23 -4.38 120.51 117.13 2dhb n ALA 142 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2dhb n ALA 142 Cb 0.54 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2dhb n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2dhb n HIS 143 N -0.70 0.00 -0.74 0.00 -0.00 -1.16 -4.40 115.22 108.21 2dhb n HIS 143 Ca 0.22 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.82 2dhb n HIS 143 Cb 0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.06 2dhb n HIS 143 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2dhb n LYS 144 N 0.00 1.65 -3.54 1.57 4.81 -1.26 -4.79 118.16 116.59 2dhb n LYS 144 Ca 0.00 -0.90 -0.38 0.00 -0.87 0.00 0.00 58.31 56.16 2dhb n LYS 144 Cb 0.00 -2.00 -0.10 0.00 0.02 0.00 0.00 35.03 32.96 2dhb n LYS 144 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2dhb s TYR 145 N 1.89 3.28 0.00 5.64 2.02 -1.26 -4.67 117.35 124.25 2dhb s TYR 145 Ca 0.47 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 57.46 2dhb s TYR 145 Cb 0.20 -2.41 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 2dhb s TYR 145 CO -0.01 -0.08 0.34 -2.39 -1.57 0.00 0.00 175.55 171.84