#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhx n ASP 3 N 0.00 -3.81 -4.69 -1.43 4.64 -1.26 -5.04 116.55 104.96 3dhx n ASP 3 Ca 0.00 0.13 -0.28 0.00 -1.38 0.00 0.00 54.79 53.26 3dhx n ASP 3 Cb 0.00 -2.61 -0.09 0.00 -1.04 0.00 0.00 41.12 37.38 3dhx n ASP 3 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3dhx s ILE 4 N -2.43 1.92 0.52 5.18 -4.36 -1.26 -5.11 121.20 115.66 3dhx s ILE 4 Ca 0.00 -1.89 -0.22 0.00 -0.26 0.00 0.00 60.65 58.27 3dhx s ILE 4 Cb 0.00 -2.81 -0.06 0.00 1.25 0.00 0.00 42.46 40.84 3dhx s ILE 4 CO 0.00 0.00 1.32 -2.65 0.24 0.00 0.00 174.94 173.85 3dhx n PRO 5 N -1.13 1.72 -0.08 0.37 -0.02 -1.26 -4.75 135.00 129.86 3dhx n PRO 5 Ca -0.06 0.63 0.09 0.00 -2.02 0.00 0.00 63.50 62.13 3dhx n PRO 5 Cb 0.66 -2.52 0.45 0.00 -0.02 0.00 0.00 33.50 32.07 3dhx n PRO 5 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3dhx h GLU 6 N 1.54 0.50 -0.25 -0.52 -0.00 -1.99 -1.48 114.58 112.38 3dhx h GLU 6 Ca -0.50 -0.03 -0.13 0.00 -0.00 0.00 0.00 59.36 58.70 3dhx h GLU 6 Cb 1.30 -0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 29.93 3dhx h GLU 6 CO 0.57 0.33 -0.38 0.38 -0.00 0.00 0.00 179.01 179.91 3dhx h ASP 7 N 0.51 0.60 -0.21 3.06 2.03 -1.99 -0.95 116.42 119.47 3dhx h ASP 7 Ca 0.25 -0.26 -0.03 0.00 -0.73 0.00 0.00 57.03 56.25 3dhx h ASP 7 Cb 0.31 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 38.63 3dhx h ASP 7 CO -0.07 0.92 0.00 1.88 -1.03 0.00 0.00 179.24 180.95 3dhx h TYR 8 N 0.48 0.40 -0.73 4.15 0.05 -1.67 -2.12 116.97 117.53 3dhx h TYR 8 Ca 0.05 -0.07 0.15 0.00 0.05 0.00 0.00 58.73 58.91 3dhx h TYR 8 Cb 0.87 -0.10 -0.10 0.00 1.01 0.00 0.00 36.73 38.41 3dhx h TYR 8 CO 0.04 0.55 0.23 1.96 -1.05 0.00 0.00 178.16 179.89 3dhx h GLN 9 N 0.13 0.34 -0.45 4.88 4.20 -1.07 0.37 115.11 123.50 3dhx h GLN 9 Ca 0.06 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3dhx h GLN 9 Cb 0.39 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 3dhx h GLN 9 CO 0.01 0.22 0.29 1.49 -0.67 0.00 0.00 178.83 180.17 3dhx h GLU 10 N 0.35 0.56 0.00 1.46 4.57 -1.16 -3.21 114.58 117.15 3dhx h GLU 10 Ca 0.41 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.52 3dhx h GLU 10 Cb 0.66 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3dhx h GLU 10 CO -0.45 0.37 -0.64 0.00 -1.18 0.00 0.00 179.01 177.11 3dhx h ARG 11 N 0.58 0.00 -6.53 1.92 3.08 -0.41 -3.47 114.38 109.55 3dhx h ARG 11 Ca 0.17 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.70 3dhx h ARG 11 Cb -0.04 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.05 3dhx h ARG 11 CO -0.05 0.09 1.06 -1.17 -1.07 0.00 0.00 179.97 178.82 3dhx s LEU 12 N -5.82 4.39 -0.02 3.04 2.96 0.11 -4.71 118.68 118.63 3dhx s LEU 12 Ca 0.02 2.72 0.04 0.00 -0.22 0.00 0.00 54.13 56.69 3dhx s LEU 12 Cb 0.08 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 3dhx s LEU 12 CO 0.75 -0.97 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.58 3dhx s GLN 13 N 2.36 2.44 0.22 1.98 -1.52 -0.17 -4.86 119.66 120.11 3dhx s GLN 13 Ca 0.78 -0.76 0.14 0.00 -1.95 0.00 0.00 55.36 53.58 3dhx s GLN 13 Cb -0.45 -2.38 -0.00 0.00 -0.22 0.00 0.00 33.01 29.95 3dhx s GLN 13 CO 0.35 0.60 1.31 0.00 -0.25 0.00 0.00 175.29 177.30 3dhx h ALA 14 N 4.94 0.64 -3.09 6.09 0.00 -1.90 0.37 119.26 126.31 3dhx h ALA 14 Ca -0.47 -0.57 -0.60 0.00 0.00 0.00 0.00 54.91 53.26 3dhx h ALA 14 Cb 1.16 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 3dhx h ALA 14 CO 0.51 0.74 -0.39 -1.21 0.00 0.00 0.00 179.25 178.90 3dhx s GLU 15 N -2.93 4.13 0.09 0.00 2.02 -1.26 -4.84 118.70 115.91 3dhx s GLU 15 Ca 0.02 -0.02 -0.31 0.00 0.02 0.00 0.00 54.97 54.68 3dhx s GLU 15 Cb 0.08 -3.39 -0.07 0.00 0.10 0.00 0.00 34.13 30.85 3dhx s GLU 15 CO 0.77 0.34 1.36 -1.25 0.02 0.00 0.00 175.26 176.50 3dhx s PRO 16 N 0.18 4.33 0.32 0.39 0.04 -1.26 -4.83 135.00 134.17 3dhx s PRO 16 Ca 0.14 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.26 3dhx s PRO 16 Cb -0.12 -3.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.04 3dhx s PRO 16 CO 0.02 -0.43 -0.03 -0.59 0.04 0.00 0.00 177.00 176.01 3dhx s PHE 17 N 1.30 2.13 0.26 0.56 -0.12 -1.26 -5.05 117.98 115.81 3dhx s PHE 17 Ca 0.64 -0.71 -0.31 0.00 -0.05 0.00 0.00 56.93 56.50 3dhx s PHE 17 Cb -0.35 -1.31 -0.12 0.00 -0.63 0.00 0.00 43.02 40.62 3dhx s PHE 17 CO 0.30 0.31 1.66 2.41 -0.05 0.00 0.00 175.22 179.85 3dhx n THR 18 N -0.71 0.59 -1.40 -4.49 -1.04 -1.26 -1.56 114.28 104.42 3dhx n THR 18 Ca -0.05 -0.15 -0.14 0.00 -2.04 0.00 0.00 64.05 61.68 3dhx n THR 18 Cb 0.65 -2.00 -0.06 0.00 -1.82 0.00 0.00 70.33 67.10 3dhx n THR 18 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3dhx n ASP 19 N 2.93 -5.68 -4.59 8.00 8.00 -1.26 -5.00 116.55 118.96 3dhx n ASP 19 Ca 0.12 0.35 -0.29 0.00 0.71 0.00 0.00 54.79 55.67 3dhx n ASP 19 Cb 0.36 -4.40 0.20 0.00 -0.02 0.00 0.00 41.12 37.26 3dhx n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dhx s VAL 21 N -2.61 1.54 0.27 0.00 1.01 0.16 -4.90 120.40 115.85 3dhx s VAL 21 Ca 0.67 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 3dhx s VAL 21 Cb -0.23 -1.43 -0.11 0.00 0.00 0.00 0.00 36.38 34.61 3dhx s VAL 21 CO 0.61 0.45 1.49 -2.84 0.00 0.00 0.00 175.10 174.82 3dhx s PRO 22 N 1.37 4.21 -0.26 2.72 0.02 -1.26 0.65 135.00 142.45 3dhx s PRO 22 Ca 0.02 2.40 -0.09 0.00 0.02 0.00 0.00 61.00 63.35 3dhx s PRO 22 Cb -0.13 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 3dhx s PRO 22 CO -0.08 -0.49 0.12 1.41 -0.33 0.00 0.00 177.00 177.63 3dhx s MET 23 N -0.45 3.77 0.05 5.54 1.75 -0.47 -1.87 119.30 127.64 3dhx s MET 23 Ca 0.61 -0.42 0.02 0.00 -1.25 0.00 0.00 55.69 54.65 3dhx s MET 23 Cb -0.44 -3.47 -0.04 0.00 2.84 0.00 0.00 34.83 33.72 3dhx s MET 23 CO 0.45 -0.19 0.07 -0.51 -0.65 0.00 0.00 175.02 174.19 3dhx s LEU 24 N 1.68 3.79 -0.22 4.11 1.43 0.12 -0.60 118.68 128.99 3dhx s LEU 24 Ca 0.07 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.14 3dhx s LEU 24 Cb -0.16 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 3dhx s LEU 24 CO 0.07 0.20 -0.02 -0.60 0.23 0.00 0.00 176.35 176.24 3dhx s ARG 25 N -2.17 3.49 -0.15 1.70 3.52 0.10 -1.27 118.95 124.16 3dhx s ARG 25 Ca 0.27 -0.58 -0.06 0.00 -0.13 0.00 0.00 55.73 55.23 3dhx s ARG 25 Cb -0.12 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 3dhx s ARG 25 CO 0.19 -0.13 0.05 -0.51 -0.81 0.00 0.00 175.30 174.10 3dhx s LEU 26 N 1.34 3.81 -0.17 -0.88 1.43 0.81 -0.89 118.68 124.12 3dhx s LEU 26 Ca 0.04 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3dhx s LEU 26 Cb -0.14 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.16 3dhx s LEU 26 CO -0.00 0.25 -0.17 -0.70 0.23 0.00 0.00 176.35 175.95 3dhx s GLU 27 N -0.07 2.68 -0.12 1.70 2.12 0.56 -1.22 118.70 124.35 3dhx s GLU 27 Ca 0.06 -0.73 -0.16 0.00 0.36 0.00 0.00 54.97 54.50 3dhx s GLU 27 Cb -0.12 -2.39 -0.05 0.00 0.26 0.00 0.00 34.13 31.83 3dhx s GLU 27 CO 0.01 -0.23 0.40 -0.06 -0.54 0.00 0.00 175.26 174.84 3dhx s PHE 28 N 1.37 3.52 -0.30 5.30 0.08 0.82 -2.74 117.98 126.02 3dhx s PHE 28 Ca 0.05 0.79 0.17 0.00 0.12 0.00 0.00 56.93 58.06 3dhx s PHE 28 Cb -0.13 -2.44 0.48 0.00 -0.57 0.00 0.00 43.02 40.36 3dhx s PHE 28 CO -0.12 0.25 1.08 0.25 -0.10 0.00 0.00 175.22 176.59 3dhx n THR 29 N 3.42 1.52 0.00 0.64 -2.24 -1.23 -1.94 114.28 114.45 3dhx n THR 29 Ca -0.10 -3.37 0.00 0.00 -2.27 0.00 0.00 64.05 58.32 3dhx n THR 29 Cb 0.52 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 3dhx n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dhx n GLY 30 N -0.47 1.50 3.77 3.38 0.00 0.11 -4.99 105.19 108.48 3dhx n GLY 30 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3dhx n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dhx s GLN 31 N -0.08 4.17 0.43 1.61 1.11 -1.24 -4.51 119.66 121.16 3dhx s GLN 31 Ca 0.00 2.12 -0.24 0.00 0.01 0.00 0.00 55.36 57.25 3dhx s GLN 31 Cb 0.00 -2.90 -0.08 0.00 -1.01 0.00 0.00 33.01 29.02 3dhx s GLN 31 CO 0.00 -0.31 1.16 0.45 0.01 0.00 0.00 175.29 176.60 3dhx s SER 32 N -0.69 6.35 0.61 5.90 0.15 -1.26 -0.65 113.70 124.11 3dhx s SER 32 Ca 0.53 2.30 0.31 0.00 0.70 0.00 0.00 55.95 59.79 3dhx s SER 32 Cb -0.37 -2.61 1.78 0.00 -1.71 0.00 0.00 66.02 63.11 3dhx s SER 32 CO 0.49 -0.79 2.13 0.58 1.20 0.00 0.00 173.24 176.85 3dhx h VAL 33 N 2.07 0.36 0.00 4.45 2.07 -1.89 -2.58 116.25 120.72 3dhx h VAL 33 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3dhx h VAL 33 Cb 1.24 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3dhx h VAL 33 CO 0.61 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.67 3dhx n ASP 34 N -3.60 0.00 -4.51 0.57 8.00 -1.26 -4.65 116.55 111.09 3dhx n ASP 34 Ca 0.00 0.50 -0.42 0.00 0.71 0.00 0.00 54.79 55.58 3dhx n ASP 34 Cb 0.28 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 40.79 3dhx n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dhx s ALA 35 N -3.00 3.45 -1.36 2.24 0.00 -0.98 -5.00 121.76 117.12 3dhx s ALA 35 Ca 0.10 -1.38 -0.09 0.00 0.00 0.00 0.00 51.96 50.58 3dhx s ALA 35 Cb 0.14 -2.97 0.11 0.00 0.00 0.00 0.00 23.12 20.40 3dhx s ALA 35 CO 0.38 -1.38 2.16 -0.35 0.00 0.00 0.00 175.76 176.57 3dhx n PRO 36 N 5.52 3.71 0.16 0.00 -0.04 -1.26 -4.80 135.00 138.29 3dhx n PRO 36 Ca -0.08 -3.21 -0.14 0.00 -0.04 0.00 0.00 63.50 60.03 3dhx n PRO 36 Cb 0.48 -2.91 -0.08 0.00 -0.04 0.00 0.00 33.50 30.95 3dhx n PRO 36 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3dhx h LEU 37 N 7.66 -0.29 -0.24 1.53 3.38 -1.95 -0.04 115.31 125.36 3dhx h LEU 37 Ca 0.54 -0.06 -0.21 0.00 0.09 0.00 0.00 57.88 58.24 3dhx h LEU 37 Cb 0.52 0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.35 3dhx h LEU 37 CO 1.66 -0.12 -0.70 -0.07 0.09 0.00 0.00 178.44 179.30 3dhx h LEU 38 N -0.45 0.91 -0.49 1.67 3.38 -2.00 -2.28 115.31 116.05 3dhx h LEU 38 Ca -0.04 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 3dhx h LEU 38 Cb 0.34 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3dhx h LEU 38 CO 0.06 1.35 0.26 0.28 0.09 0.00 0.00 178.44 180.48 3dhx h SER 39 N 0.56 0.62 -0.64 -0.43 0.02 -1.95 -1.90 113.55 109.83 3dhx h SER 39 Ca -0.03 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 3dhx h SER 39 Cb 1.32 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 3dhx h SER 39 CO 0.14 0.54 0.32 -0.08 -1.14 0.00 0.00 176.83 176.61 3dhx h GLU 40 N 0.65 0.91 -0.59 3.45 4.57 -0.97 -2.77 114.58 119.83 3dhx h GLU 40 Ca 0.17 -0.13 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3dhx h GLU 40 Cb 0.07 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3dhx h GLU 40 CO -0.03 0.72 0.20 1.79 -1.18 0.00 0.00 179.01 180.51 3dhx h THR 41 N 0.87 1.22 -0.74 0.32 1.35 -1.27 0.42 112.91 115.08 3dhx h THR 41 Ca 0.22 -0.74 0.06 0.00 -0.55 0.00 0.00 66.41 65.41 3dhx h THR 41 Cb 0.10 0.56 -0.06 0.00 -1.73 0.00 0.00 68.15 67.02 3dhx h THR 41 CO -0.03 0.28 0.43 0.00 -0.25 0.00 0.00 175.52 175.95 3dhx h ALA 42 N 1.37 1.00 0.02 6.62 0.00 -1.10 -0.81 119.26 126.36 3dhx h ALA 42 Ca 0.20 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3dhx h ALA 42 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3dhx h ALA 42 CO -0.01 0.12 -0.09 0.00 0.00 0.00 0.00 179.25 179.27 3dhx h ARG 43 N 0.78 0.03 -0.74 0.00 3.08 -1.22 -2.81 114.38 113.51 3dhx h ARG 43 Ca 0.33 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 3dhx h ARG 43 Cb 0.20 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 3dhx h ARG 43 CO -0.18 1.03 0.45 -0.09 -1.07 0.00 0.00 179.97 180.10 3dhx h ARG 44 N -0.93 1.00 -0.11 0.04 2.43 -0.15 -3.20 114.38 113.46 3dhx h ARG 44 Ca -0.02 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3dhx h ARG 44 Cb 1.07 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3dhx h ARG 44 CO 0.02 0.71 0.00 1.19 -1.51 0.00 0.00 179.97 180.37 3dhx n PHE 45 N -4.52 0.14 -3.92 2.20 3.72 -0.31 -4.98 117.46 109.79 3dhx n PHE 45 Ca 0.07 -0.24 -0.26 0.00 -0.05 0.00 0.00 57.45 56.97 3dhx n PHE 45 Cb 0.05 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 38.58 3dhx n PHE 45 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3dhx n ASN 46 N 0.28 -1.58 -4.69 4.37 5.15 -1.07 -4.76 115.26 112.96 3dhx n ASN 46 Ca 0.06 -0.92 -0.23 0.00 -0.60 0.00 0.00 54.58 52.88 3dhx n ASN 46 Cb 0.26 -3.41 -0.07 0.00 -0.53 0.00 0.00 39.78 36.04 3dhx n ASN 46 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3dhx s VAL 47 N -3.70 3.39 -0.16 3.44 -7.23 -1.19 -4.75 120.40 110.20 3dhx s VAL 47 Ca 0.20 -1.79 -0.04 0.00 -1.81 0.00 0.00 61.98 58.54 3dhx s VAL 47 Cb -0.10 -2.94 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 3dhx s VAL 47 CO 0.86 -0.30 -0.04 0.20 -0.31 0.00 0.00 175.10 175.51 3dhx s ASN 48 N -3.75 4.75 -0.49 4.85 0.01 -0.34 -4.20 114.94 115.77 3dhx s ASN 48 Ca 0.34 -0.15 -0.13 0.00 -0.71 0.00 0.00 52.86 52.20 3dhx s ASN 48 Cb -0.05 -1.78 0.11 0.00 0.41 0.00 0.00 41.25 39.94 3dhx s ASN 48 CO 0.21 0.15 0.41 0.20 -1.51 0.00 0.00 177.10 176.56 3dhx s ASN 49 N 0.45 5.97 -0.42 -1.22 0.01 -1.26 -1.25 114.94 117.22 3dhx s ASN 49 Ca -0.04 -1.71 -0.19 0.00 -0.71 0.00 0.00 52.86 50.21 3dhx s ASN 49 Cb -0.14 -2.12 0.02 0.00 0.41 0.00 0.00 41.25 39.42 3dhx s ASN 49 CO 0.03 -0.73 0.56 0.20 -1.51 0.00 0.00 177.10 175.65 3dhx s ASN 50 N 2.97 6.28 0.09 -1.22 0.02 -0.41 -4.96 114.94 117.71 3dhx s ASN 50 Ca 0.04 -0.40 -0.31 0.00 -1.02 0.00 0.00 52.86 51.17 3dhx s ASN 50 Cb -0.27 -2.28 -0.07 0.00 0.02 0.00 0.00 41.25 38.65 3dhx s ASN 50 CO 0.02 -0.68 1.27 -0.63 0.02 0.00 0.00 177.10 177.10 3dhx s ILE 51 N 2.55 3.74 -0.19 0.60 1.01 -1.26 -1.73 121.20 125.92 3dhx s ILE 51 Ca 0.19 1.26 -0.18 0.00 0.00 0.00 0.00 60.65 61.92 3dhx s ILE 51 Cb -0.15 -3.81 -0.15 0.00 0.01 0.00 0.00 42.46 38.36 3dhx s ILE 51 CO 0.17 0.11 0.10 -0.38 0.00 0.00 0.00 174.94 174.93 3dhx n ILE 52 N 3.83 1.50 -3.76 2.92 5.41 0.43 -4.95 119.36 124.75 3dhx n ILE 52 Ca 0.09 0.03 -0.08 0.00 1.00 0.00 0.00 62.75 63.80 3dhx n ILE 52 Cb 0.45 -2.13 -0.02 0.00 -0.71 0.00 0.00 39.64 37.22 3dhx n ILE 52 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3dhx s SER 53 N -6.57 -0.33 -0.28 4.38 1.04 -1.11 -5.00 113.70 105.83 3dhx s SER 53 Ca -0.25 -0.48 -0.25 0.00 0.48 0.00 0.00 55.95 55.46 3dhx s SER 53 Cb 0.05 0.70 0.10 0.00 0.10 0.00 0.00 66.02 66.97 3dhx s SER 53 CO 0.49 -1.26 0.91 0.00 0.98 0.00 0.00 173.24 174.36 3dhx s ALA 54 N -3.88 -1.91 -0.44 5.32 0.00 -1.26 -1.28 121.76 118.32 3dhx s ALA 54 Ca 0.09 1.95 0.02 0.00 0.00 0.00 0.00 51.96 54.02 3dhx s ALA 54 Cb -0.05 -1.35 0.14 0.00 0.00 0.00 0.00 23.12 21.87 3dhx s ALA 54 CO 0.02 -0.28 0.26 -0.65 0.00 0.00 0.00 175.76 175.11 3dhx s GLN 55 N 0.34 1.18 -0.13 0.00 -1.52 0.01 -5.00 119.66 114.55 3dhx s GLN 55 Ca 0.01 -1.96 0.02 0.00 -1.95 0.00 0.00 55.36 51.48 3dhx s GLN 55 Cb -0.05 -2.12 -0.00 0.00 -0.22 0.00 0.00 33.01 30.61 3dhx s GLN 55 CO -0.04 -1.20 -0.19 -1.64 -0.25 0.00 0.00 175.29 171.98 3dhx s MET 56 N 0.36 3.18 0.05 2.91 -1.94 -1.26 -2.33 119.30 120.26 3dhx s MET 56 Ca 0.19 -0.79 0.05 0.00 -1.71 0.00 0.00 55.69 53.43 3dhx s MET 56 Cb -0.20 -2.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.11 3dhx s MET 56 CO -0.02 0.13 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.55 3dhx s ASP 57 N 0.50 4.67 -0.20 3.03 -0.00 0.19 -4.94 116.67 119.92 3dhx s ASP 57 Ca -0.12 -0.21 -0.09 0.00 -0.00 0.00 0.00 52.55 52.13 3dhx s ASP 57 Cb -0.17 -1.05 -0.05 0.00 -0.00 0.00 0.00 42.92 41.66 3dhx s ASP 57 CO 0.05 0.23 0.11 -0.47 -0.00 0.00 0.00 175.17 175.09 3dhx s TYR 58 N -1.12 3.32 -0.21 4.23 5.04 -1.26 -0.72 117.35 126.62 3dhx s TYR 58 Ca 0.20 0.19 -0.11 0.00 -2.44 0.00 0.00 57.07 54.90 3dhx s TYR 58 Cb -0.11 -2.16 0.07 0.00 0.35 0.00 0.00 41.96 40.11 3dhx s TYR 58 CO 0.12 0.17 0.52 0.00 -1.34 0.00 0.00 175.55 175.01 3dhx s ALA 59 N 0.57 -1.38 -1.50 3.97 0.00 0.38 -4.92 121.76 118.89 3dhx s ALA 59 Ca 0.06 1.87 0.00 0.00 0.00 0.00 0.00 51.96 53.89 3dhx s ALA 59 Cb -0.12 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.84 3dhx s ALA 59 CO 0.00 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3dhx n GLY 60 N 4.39 -0.35 2.95 0.00 0.00 -1.26 -1.54 105.19 109.38 3dhx n GLY 60 Ca -0.21 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3dhx n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dhx n GLY 61 N -1.02 0.97 3.43 -0.02 0.00 -1.26 -5.04 105.19 102.25 3dhx n GLY 61 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 3dhx n GLY 61 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dhx s VAL 62 N -3.87 0.35 0.01 1.61 -7.23 -0.59 -3.22 120.40 107.46 3dhx s VAL 62 Ca 0.00 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 3dhx s VAL 62 Cb 0.00 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 3dhx s VAL 62 CO 0.00 0.00 -0.25 -0.54 -0.31 0.00 0.00 175.10 174.00 3dhx s LYS 63 N -3.61 1.86 -0.02 4.82 1.02 0.18 -0.47 119.74 123.53 3dhx s LYS 63 Ca 0.29 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.33 3dhx s LYS 63 Cb 0.02 -1.89 0.03 0.00 -0.52 0.00 0.00 37.83 35.47 3dhx s LYS 63 CO 0.19 0.51 0.03 -0.06 -0.92 0.00 0.00 175.35 175.09 3dhx s PHE 64 N -0.66 0.06 -5.00 3.18 0.08 0.10 -0.71 117.98 115.03 3dhx s PHE 64 Ca 0.10 0.12 0.00 0.00 0.12 0.00 0.00 56.93 57.26 3dhx s PHE 64 Cb -0.09 -0.25 0.00 0.00 -0.57 0.00 0.00 43.02 42.10 3dhx s PHE 64 CO 0.00 -0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.44 3dhx n GLY 65 N 4.16 0.51 3.23 4.36 0.00 -0.82 0.55 105.19 117.18 3dhx n GLY 65 Ca -0.28 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 43.83 3dhx n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dhx s ILE 66 N -2.79 1.48 0.00 -0.61 1.09 -0.99 -0.13 121.20 119.26 3dhx s ILE 66 Ca 0.00 -1.32 0.02 0.00 -1.10 0.00 0.00 60.65 58.26 3dhx s ILE 66 Cb 0.00 -1.34 -0.01 0.00 -1.06 0.00 0.00 42.46 40.05 3dhx s ILE 66 CO 0.00 -0.02 -0.08 -0.32 -0.10 0.00 0.00 174.94 174.43 3dhx s MET 67 N -1.56 0.59 -0.17 2.79 1.75 -0.35 -0.81 119.30 121.54 3dhx s MET 67 Ca 0.04 -0.35 -0.07 0.00 -1.25 0.00 0.00 55.69 54.06 3dhx s MET 67 Cb -0.09 -0.55 -0.04 0.00 2.84 0.00 0.00 34.83 36.99 3dhx s MET 67 CO 0.03 0.14 0.07 -0.51 -0.65 0.00 0.00 175.02 174.10 3dhx s LEU 68 N -0.41 3.88 0.06 4.11 1.43 -0.40 -0.13 118.68 127.21 3dhx s LEU 68 Ca 0.01 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3dhx s LEU 68 Cb -0.04 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3dhx s LEU 68 CO -0.00 0.22 -0.02 0.42 0.23 0.00 0.00 176.35 177.20 3dhx s THR 69 N 0.08 0.25 0.06 5.49 -4.23 -0.39 -0.43 115.64 116.47 3dhx s THR 69 Ca 0.06 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3dhx s THR 69 Cb -0.12 -1.60 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 3dhx s THR 69 CO 0.01 -0.93 0.19 -1.61 -0.54 0.00 0.00 174.62 171.74 3dhx s GLU 70 N -3.93 3.38 -0.16 3.99 2.02 -0.71 0.15 118.70 123.44 3dhx s GLU 70 Ca 0.09 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.63 3dhx s GLU 70 Cb 0.08 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.30 3dhx s GLU 70 CO -0.08 0.61 -0.15 1.41 0.02 0.00 0.00 175.26 177.06 3dhx s MET 71 N -2.46 3.19 -0.11 1.61 1.75 -0.78 -1.29 119.30 121.22 3dhx s MET 71 Ca 0.34 -0.75 -0.01 0.00 -1.25 0.00 0.00 55.69 54.01 3dhx s MET 71 Cb -0.13 -2.63 -0.03 0.00 2.84 0.00 0.00 34.83 34.88 3dhx s MET 71 CO 0.27 -0.02 -0.05 -1.01 -0.65 0.00 0.00 175.02 173.56 3dhx s HIS 72 N 0.90 3.01 0.00 4.11 3.76 -0.38 -3.99 115.29 122.70 3dhx s HIS 72 Ca -0.04 -0.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 3dhx s HIS 72 Cb -0.15 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.72 3dhx s HIS 72 CO -0.02 0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.49 3dhx n GLY 73 N 2.73 -0.31 3.71 -2.22 0.00 -1.26 -1.19 105.19 106.66 3dhx n GLY 73 Ca -0.18 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 3dhx n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dhx s THR 74 N -2.00 2.54 0.19 2.61 -4.23 -1.26 -4.76 115.64 108.73 3dhx s THR 74 Ca 0.00 0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 60.57 3dhx s THR 74 Cb 0.00 -2.45 0.13 0.00 1.34 0.00 0.00 72.50 71.52 3dhx s THR 74 CO 0.00 -0.22 1.70 -0.61 -0.54 0.00 0.00 174.62 174.95 3dhx h GLN 75 N -1.37 0.17 -0.34 3.99 -0.00 -1.99 -0.54 115.11 115.03 3dhx h GLN 75 Ca -0.44 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.12 3dhx h GLN 75 Cb 1.26 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.68 3dhx h GLN 75 CO 0.46 0.12 -0.12 0.37 0.00 0.00 0.00 178.83 179.66 3dhx h GLN 76 N 0.18 0.59 -0.28 1.69 5.75 -1.99 -2.21 115.11 118.84 3dhx h GLN 76 Ca 0.26 -0.18 -0.13 0.00 -0.15 0.00 0.00 58.65 58.45 3dhx h GLN 76 Cb 0.38 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.87 3dhx h GLN 76 CO -0.38 0.70 -0.33 -0.44 -2.65 0.00 0.00 178.83 175.73 3dhx h ASP 77 N 0.55 0.78 0.35 -0.69 3.32 -1.69 -1.45 116.42 117.58 3dhx h ASP 77 Ca 0.10 -0.49 -0.21 0.00 0.02 0.00 0.00 57.03 56.45 3dhx h ASP 77 Cb 0.53 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3dhx h ASP 77 CO 0.03 1.11 -0.87 0.71 -1.72 0.00 0.00 179.24 178.50 3dhx h THR 78 N 0.47 1.41 -0.42 0.35 1.35 -1.11 -0.72 112.91 114.24 3dhx h THR 78 Ca 0.04 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.51 3dhx h THR 78 Cb 0.91 2.34 -0.02 0.00 -1.73 0.00 0.00 68.15 69.65 3dhx h THR 78 CO 0.08 0.71 0.27 -0.61 -0.25 0.00 0.00 175.52 175.72 3dhx h GLN 79 N 0.23 0.56 -0.36 4.72 4.15 -1.43 -0.87 115.11 122.11 3dhx h GLN 79 Ca -0.06 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.20 3dhx h GLN 79 Cb 1.49 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.04 3dhx h GLN 79 CO 0.15 0.38 -0.26 0.00 -1.93 0.00 0.00 178.83 177.17 3dhx h ALA 80 N 1.14 0.87 -0.31 3.38 0.00 -1.10 -1.30 119.26 121.94 3dhx h ALA 80 Ca 0.15 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3dhx h ALA 80 Cb -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3dhx h ALA 80 CO -0.03 0.63 -0.09 0.00 0.00 0.00 0.00 179.25 179.75 3dhx h ALA 81 N 1.08 0.43 -0.32 0.00 0.00 -0.99 -1.47 119.26 117.99 3dhx h ALA 81 Ca 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3dhx h ALA 81 Cb 0.77 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3dhx h ALA 81 CO 0.06 0.28 0.18 0.82 0.00 0.00 0.00 179.25 180.59 3dhx h ILE 82 N 0.39 1.13 -0.73 0.00 2.04 -1.13 -0.99 117.51 118.21 3dhx h ILE 82 Ca 0.08 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3dhx h ILE 82 Cb 0.59 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3dhx h ILE 82 CO 0.03 0.13 0.37 0.00 0.00 0.00 0.00 178.15 178.68 3dhx h ALA 83 N 1.05 1.27 -0.35 1.87 0.00 -1.19 -1.91 119.26 120.00 3dhx h ALA 83 Ca 0.11 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3dhx h ALA 83 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3dhx h ALA 83 CO -0.02 0.57 -0.33 2.35 0.00 0.00 0.00 179.25 181.83 3dhx h TRP 84 N 1.03 1.01 -0.30 0.00 7.01 -1.08 0.12 115.95 123.74 3dhx h TRP 84 Ca 0.26 -0.30 0.03 0.00 2.11 0.00 0.00 58.89 60.99 3dhx h TRP 84 Cb 0.07 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 3dhx h TRP 84 CO 0.01 1.09 0.12 -0.07 -2.79 0.00 0.00 178.44 176.80 3dhx h LEU 85 N 0.64 0.16 -0.81 0.65 3.38 -0.99 0.49 115.31 118.83 3dhx h LEU 85 Ca 0.06 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3dhx h LEU 85 Cb 0.91 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 3dhx h LEU 85 CO 0.08 0.13 0.51 1.56 0.09 0.00 0.00 178.44 180.81 3dhx h GLN 86 N 0.27 0.95 -0.79 1.13 4.20 -1.26 -1.93 115.11 117.68 3dhx h GLN 86 Ca 0.13 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.79 3dhx h GLN 86 Cb 0.08 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 3dhx h GLN 86 CO -0.11 0.63 0.52 1.49 -0.67 0.00 0.00 178.83 180.68 3dhx h GLU 87 N 0.97 1.03 -0.77 1.46 4.81 -0.41 -1.26 114.58 120.41 3dhx h GLU 87 Ca 0.33 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3dhx h GLU 87 Cb 0.06 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3dhx h GLU 87 CO -0.13 0.68 0.00 0.72 -0.73 0.00 0.00 179.01 179.55 3dhx n HIS 88 N -4.42 0.66 -1.63 0.92 8.25 0.13 -4.93 115.22 114.20 3dhx n HIS 88 Ca 0.09 -0.24 -0.14 0.00 -0.26 0.00 0.00 57.72 57.17 3dhx n HIS 88 Cb 0.04 -0.21 -0.05 0.00 1.12 0.00 0.00 29.99 30.89 3dhx n HIS 88 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dhx n HIS 89 N 0.22 -0.18 -2.81 4.41 8.25 -0.48 -5.00 115.22 119.64 3dhx n HIS 89 Ca 0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 3dhx n HIS 89 Cb 0.52 -2.62 -0.03 0.00 1.12 0.00 0.00 29.99 28.98 3dhx n HIS 89 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dhx s VAL 90 N -2.56 4.87 -0.12 1.59 1.01 -0.77 -4.89 120.40 119.52 3dhx s VAL 90 Ca 0.00 1.84 -0.29 0.00 0.00 0.00 0.00 61.98 63.53 3dhx s VAL 90 Cb 0.00 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3dhx s VAL 90 CO 0.00 0.09 1.34 -0.54 0.00 0.00 0.00 175.10 175.99 3dhx s LYS 91 N 1.59 4.24 -0.04 2.72 1.02 -1.11 -3.88 119.74 124.29 3dhx s LYS 91 Ca 0.45 1.79 0.05 0.00 0.02 0.00 0.00 55.97 58.28 3dhx s LYS 91 Cb -0.18 -3.77 -0.01 0.00 -0.52 0.00 0.00 37.83 33.35 3dhx s LYS 91 CO 0.19 -0.70 -0.19 0.08 -0.92 0.00 0.00 175.35 173.81 3dhx s VAL 92 N 3.39 1.58 -0.09 3.17 1.01 -1.26 -0.32 120.40 127.88 3dhx s VAL 92 Ca 0.59 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3dhx s VAL 92 Cb -0.25 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.81 3dhx s VAL 92 CO 0.19 0.45 -0.10 -0.70 0.00 0.00 0.00 175.10 174.94 3dhx s GLU 93 N -0.15 1.65 -0.48 2.72 2.12 -0.07 -4.98 118.70 119.51 3dhx s GLU 93 Ca -0.00 -0.36 -0.28 0.00 0.36 0.00 0.00 54.97 54.69 3dhx s GLU 93 Cb -0.11 -1.50 0.03 0.00 0.26 0.00 0.00 34.13 32.81 3dhx s GLU 93 CO 0.02 -0.10 1.07 0.08 -0.54 0.00 0.00 175.26 175.79 3dhx s VAL 94 N 1.10 4.28 -0.27 3.70 1.01 -1.26 -0.72 120.40 128.23 3dhx s VAL 94 Ca -0.06 1.03 0.24 0.00 0.00 0.00 0.00 61.98 63.19 3dhx s VAL 94 Cb -0.14 -4.56 0.31 0.00 0.00 0.00 0.00 36.38 31.99 3dhx s VAL 94 CO -0.02 -0.98 1.67 -0.07 0.00 0.00 0.00 175.10 175.71 3dhx h LEU 95 N 11.05 0.00 0.00 3.92 3.38 -1.20 -3.49 115.31 128.97 3dhx h LEU 95 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3dhx h LEU 95 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3dhx h LEU 95 CO 1.10 0.07 0.00 0.61 0.09 0.00 0.00 178.44 180.31 3dhx n GLY 96 N 0.86 -0.28 3.10 0.83 0.00 -1.25 -4.89 105.19 103.57 3dhx n GLY 96 Ca 0.03 -1.48 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 3dhx n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dhx s TYR 97 N -2.72 0.96 0.23 1.61 1.51 0.13 -1.36 117.35 117.71 3dhx s TYR 97 Ca 0.00 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.71 3dhx s TYR 97 Cb 0.00 -0.57 -0.05 0.00 -0.11 0.00 0.00 41.96 41.23 3dhx s TYR 97 CO 0.00 -0.00 0.01 0.14 -1.11 0.00 0.00 175.55 174.59 3dhx s VAL 98 N -0.97 0.92 0.23 0.71 -7.23 0.21 -1.00 120.40 113.27 3dhx s VAL 98 Ca -0.02 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 57.83 3dhx s VAL 98 Cb -0.08 -2.36 -0.09 0.00 0.56 0.00 0.00 36.38 34.41 3dhx s VAL 98 CO 0.01 -0.30 0.95 -0.76 -0.31 0.00 0.00 175.10 174.70 3dhx s LEU 99 N -3.29 4.63 0.00 1.32 2.01 -1.26 0.36 118.68 122.45 3dhx s LEU 99 Ca 0.29 1.96 0.00 0.00 0.01 0.00 0.00 54.13 56.39 3dhx s LEU 99 Cb 0.06 -3.61 0.00 0.00 0.01 0.00 0.00 46.19 42.65 3dhx s LEU 99 CO 0.09 0.12 0.00 1.21 1.01 0.00 0.00 176.35 178.78