#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxb h SER 4 N 0.00 0.00 -0.04 -3.46 0.87 -2.05 -2.20 113.55 106.67 2dxb h SER 4 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2dxb h SER 4 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2dxb h SER 4 CO 0.00 0.35 -0.18 0.40 -0.53 0.00 0.00 176.83 176.88 2dxb h ILE 5 N 0.00 1.47 -0.86 2.23 1.08 -2.05 -2.43 117.51 116.94 2dxb h ILE 5 Ca -0.00 -1.64 0.02 0.00 -0.39 0.00 0.00 64.86 62.85 2dxb h ILE 5 Cb 0.84 2.43 -0.05 0.00 -3.07 0.00 0.00 36.82 36.97 2dxb h ILE 5 CO 0.05 0.45 0.57 0.03 -0.69 0.00 0.00 178.15 178.56 2dxb h ARG 6 N -0.37 1.08 -0.74 2.37 2.47 -1.97 -0.00 114.38 117.22 2dxb h ARG 6 Ca -0.01 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.61 2dxb h ARG 6 Cb 0.83 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.87 2dxb h ARG 6 CO 0.04 0.72 0.35 0.93 0.56 0.00 0.00 179.97 182.56 2dxb h GLU 7 N 1.12 1.07 -0.28 0.04 5.08 -1.39 -0.88 114.58 119.33 2dxb h GLU 7 Ca 0.33 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 2dxb h GLU 7 Cb -0.05 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2dxb h GLU 7 CO -0.09 0.84 -0.27 1.49 -1.00 0.00 0.00 179.01 179.98 2dxb h GLU 8 N 1.04 0.57 0.11 2.33 4.81 -0.76 -1.02 114.58 121.66 2dxb h GLU 8 Ca 0.25 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2dxb h GLU 8 Cb 0.13 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2dxb h GLU 8 CO -0.03 0.79 -0.05 0.28 -0.73 0.00 0.00 179.01 179.26 2dxb h VAL 9 N 0.49 0.95 -0.12 0.32 2.07 -0.47 0.77 116.25 120.27 2dxb h VAL 9 Ca 0.07 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 2dxb h VAL 9 Cb 0.73 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2dxb h VAL 9 CO 0.06 0.06 -0.26 0.45 0.02 0.00 0.00 177.57 177.90 2dxb h HIS 10 N -0.25 0.24 -0.28 1.57 3.86 -1.09 0.69 115.15 119.89 2dxb h HIS 10 Ca -0.02 -0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.04 2dxb h HIS 10 Cb 0.21 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 2dxb h HIS 10 CO -0.04 0.47 -0.29 -0.09 0.86 0.00 0.00 177.93 178.84 2dxb h ARG 11 N 0.20 0.57 -0.00 2.45 2.43 -0.97 -2.18 114.38 116.89 2dxb h ARG 11 Ca 0.03 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2dxb h ARG 11 Cb 0.57 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2dxb h ARG 11 CO 0.04 0.80 0.00 1.25 -1.51 0.00 0.00 179.97 180.55 2dxb h HIS 12 N 0.49 0.00 -0.38 2.20 2.76 0.36 -1.20 115.15 119.38 2dxb h HIS 12 Ca 0.06 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.31 2dxb h HIS 12 Cb 0.75 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 2dxb h HIS 12 CO 0.03 0.30 0.26 -0.07 -1.30 0.00 0.00 177.93 177.15 2dxb h LEU 13 N -0.30 0.15 0.13 0.26 3.38 -0.77 -1.97 115.31 116.20 2dxb h LEU 13 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2dxb h LEU 13 Cb 0.30 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.04 2dxb h LEU 13 CO 0.00 0.10 -1.29 1.23 0.09 0.00 0.00 178.44 178.57 2dxb h GLY 14 N 0.17 0.63 1.03 0.83 0.00 -1.17 -3.35 103.07 101.21 2dxb h GLY 14 Ca 0.17 -1.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.02 2dxb h GLY 14 CO -0.03 1.22 -0.08 -0.84 0.00 0.00 0.00 176.54 176.81 2dxb h THR 15 N 0.22 1.27 -0.10 4.70 2.02 -0.55 -2.94 112.91 117.53 2dxb h THR 15 Ca -0.19 -1.20 0.03 0.00 0.77 0.00 0.00 66.41 65.82 2dxb h THR 15 Cb 1.97 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 69.45 2dxb h THR 15 CO 0.24 0.41 0.11 -0.37 0.37 0.00 0.00 175.52 176.29 2dxb h VAL 16 N 0.74 0.52 -0.23 3.16 -1.51 -1.52 0.11 116.25 117.52 2dxb h VAL 16 Ca 0.12 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.56 2dxb h VAL 16 Cb 0.62 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 2dxb h VAL 16 CO 0.04 0.00 -0.02 0.00 -1.23 0.00 0.00 177.57 176.36 2dxb h ALA 17 N 1.87 1.54 0.00 5.19 0.00 -1.65 -0.78 119.26 125.43 2dxb h ALA 17 Ca 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2dxb h ALA 17 Cb 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2dxb h ALA 17 CO -0.00 0.34 -0.10 -0.07 0.00 0.00 0.00 179.25 179.41 2dxb h LEU 18 N 0.34 0.00 -2.24 0.00 3.38 -1.09 -2.45 115.31 113.25 2dxb h LEU 18 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2dxb h LEU 18 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2dxb h LEU 18 CO 0.01 0.10 0.00 0.23 0.09 0.00 0.00 178.44 178.87 2dxb n MET 19 N -3.86 2.41 -1.67 1.13 2.81 -0.31 -4.95 117.12 112.69 2dxb n MET 19 Ca -0.02 -2.19 -0.48 0.00 -1.81 0.00 0.00 57.70 53.20 2dxb n MET 19 Cb 0.20 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.18 2dxb n MET 19 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2dxb n GLN 20 N 1.30 2.14 -1.78 0.03 -0.06 -0.93 -4.90 117.38 113.18 2dxb n GLN 20 Ca 0.20 0.77 -0.37 0.00 -2.00 0.00 0.00 57.00 55.61 2dxb n GLN 20 Cb 0.53 -2.67 0.06 0.00 -4.06 0.00 0.00 30.24 24.10 2dxb n GLN 20 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2dxb s PRO 21 N 4.31 2.62 0.07 3.69 0.02 -1.26 -5.03 135.00 139.42 2dxb s PRO 21 Ca 0.94 2.04 -0.27 0.00 0.02 0.00 0.00 61.00 63.73 2dxb s PRO 21 Cb -0.68 -1.86 0.09 0.00 0.02 0.00 0.00 34.50 32.06 2dxb s PRO 21 CO 0.51 -1.54 0.84 0.00 -0.33 0.00 0.00 177.00 176.48 2dxb s ALA 22 N -1.41 -1.73 -0.58 -1.55 0.00 -1.26 -5.09 121.76 110.14 2dxb s ALA 22 Ca 0.82 0.69 -0.17 0.00 0.00 0.00 0.00 51.96 53.30 2dxb s ALA 22 Cb -0.37 0.56 0.12 0.00 0.00 0.00 0.00 23.12 23.44 2dxb s ALA 22 CO 0.39 -0.79 0.61 -0.51 0.00 0.00 0.00 175.76 175.47 2dxb s LEU 23 N -2.64 5.83 -0.57 0.00 1.43 -1.26 -5.01 118.68 116.46 2dxb s LEU 23 Ca 0.06 -1.67 -0.20 0.00 -1.03 0.00 0.00 54.13 51.29 2dxb s LEU 23 Cb -0.01 -2.25 0.08 0.00 0.03 0.00 0.00 46.19 44.03 2dxb s LEU 23 CO -0.07 -0.97 0.73 -2.28 0.23 0.00 0.00 176.35 173.99 2dxb s HIS 24 N 2.06 2.95 -0.49 0.29 2.46 -1.26 -5.02 115.29 116.27 2dxb s HIS 24 Ca 0.08 -0.70 -0.15 0.00 0.47 0.00 0.00 55.06 54.76 2dxb s HIS 24 Cb -0.26 -3.90 0.10 0.00 -0.13 0.00 0.00 32.58 28.38 2dxb s HIS 24 CO 0.04 -1.27 0.42 -1.14 -2.47 0.00 0.00 174.74 170.32 2dxb s GLN 25 N 2.96 2.93 0.36 2.88 0.74 -1.26 -5.06 119.66 123.21 2dxb s GLN 25 Ca 0.15 -1.52 -0.27 0.00 0.05 0.00 0.00 55.36 53.78 2dxb s GLN 25 Cb -0.21 -4.16 -0.09 0.00 1.10 0.00 0.00 33.01 29.66 2dxb s GLN 25 CO 0.10 -1.14 1.18 -0.65 -0.55 0.00 0.00 175.29 174.23 2dxb s GLN 26 N 1.59 4.23 -0.20 1.67 -0.21 -1.26 -5.02 119.66 120.47 2dxb s GLN 26 Ca 0.04 1.91 -0.05 0.00 0.02 0.00 0.00 55.36 57.28 2dxb s GLN 26 Cb -0.26 -2.85 -0.03 0.00 1.00 0.00 0.00 33.01 30.87 2dxb s GLN 26 CO 0.05 -0.19 0.00 0.95 -2.12 0.00 0.00 175.29 173.98 2dxb s THR 27 N -1.31 4.00 -0.57 -0.19 -4.23 -1.26 -5.03 115.64 107.05 2dxb s THR 27 Ca 0.53 -0.30 0.06 0.00 -1.18 0.00 0.00 61.69 60.80 2dxb s THR 27 Cb -0.33 -2.80 0.24 0.00 1.34 0.00 0.00 72.50 70.95 2dxb s THR 27 CO 0.42 0.43 0.64 1.41 -0.54 0.00 0.00 174.62 176.99 2dxb n HIS 28 N 4.15 2.32 -3.47 3.99 8.25 -1.26 -4.93 115.22 124.27 2dxb n HIS 28 Ca -0.17 -3.97 -0.18 0.00 -0.26 0.00 0.00 57.72 53.14 2dxb n HIS 28 Cb 0.52 -0.47 0.02 0.00 1.12 0.00 0.00 29.99 31.17 2dxb n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dxb n ALA 29 N 1.19 -2.60 -0.99 -1.41 0.00 -1.26 -4.93 120.51 110.51 2dxb n ALA 29 Ca 0.27 -0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.25 2dxb n ALA 29 Cb 0.44 -2.41 0.13 0.00 0.00 0.00 0.00 19.45 17.61 2dxb n ALA 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dxb s PRO 30 N -4.58 1.59 0.64 0.00 0.04 -1.26 -5.00 135.00 126.43 2dxb s PRO 30 Ca 0.18 1.31 -0.14 0.00 0.04 0.00 0.00 61.00 62.40 2dxb s PRO 30 Cb -0.06 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 2dxb s PRO 30 CO 0.83 -2.15 1.06 0.00 0.04 0.00 0.00 177.00 176.77 2dxb s ALA 31 N -2.79 2.70 0.37 8.56 0.00 -1.26 -4.92 121.76 124.42 2dxb s ALA 31 Ca 0.64 0.28 0.13 0.00 0.00 0.00 0.00 51.96 53.01 2dxb s ALA 31 Cb -0.20 -3.21 0.95 0.00 0.00 0.00 0.00 23.12 20.65 2dxb s ALA 31 CO 0.57 -0.99 1.81 -1.35 0.00 0.00 0.00 175.76 175.80 2dxb h PRO 32 N -0.03 0.54 0.00 0.00 0.11 -1.96 0.14 132.00 130.80 2dxb h PRO 32 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2dxb h PRO 32 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2dxb h PRO 32 CO 0.57 0.36 0.00 0.25 -0.21 0.00 0.00 178.00 178.97 2dxb n THR 33 N -4.62 1.14 1.00 -1.15 -2.24 -1.26 -1.32 114.28 105.82 2dxb n THR 33 Ca 0.22 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.40 2dxb n THR 33 Cb 0.67 -1.13 0.05 0.00 -2.10 0.00 0.00 70.33 67.82 2dxb n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dxb n GLU 34 N -1.41 1.82 -3.51 -0.78 1.02 0.47 -4.84 120.64 113.41 2dxb n GLU 34 Ca 0.03 -1.51 -0.42 0.00 -0.02 0.00 0.00 57.16 55.24 2dxb n GLU 34 Cb 0.09 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 29.94 2dxb n GLU 34 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2dxb s ILE 35 N -2.22 4.95 0.82 -3.67 -1.09 -0.44 -5.01 121.20 114.55 2dxb s ILE 35 Ca 0.24 -0.82 -0.11 0.00 -2.23 0.00 0.00 60.65 57.73 2dxb s ILE 35 Cb 0.19 -3.80 0.10 0.00 -1.58 0.00 0.00 42.46 37.37 2dxb s ILE 35 CO 0.42 -0.32 1.17 0.42 -1.23 0.00 0.00 174.94 175.40 2dxb s THR 36 N 1.62 2.05 0.28 2.92 -4.23 -1.26 -4.84 115.64 112.18 2dxb s THR 36 Ca 0.04 -0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.49 2dxb s THR 36 Cb -0.20 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.76 2dxb s THR 36 CO 0.08 0.00 1.78 -0.74 -0.54 0.00 0.00 174.62 175.20 2dxb h HIS 37 N -1.07 0.68 -0.58 3.99 2.76 -1.99 -0.44 115.15 118.51 2dxb h HIS 37 Ca -0.45 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 57.62 2dxb h HIS 37 Cb 1.31 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 30.06 2dxb h HIS 37 CO 0.03 0.69 0.37 1.15 -1.30 0.00 0.00 177.93 178.87 2dxb h THR 38 N 0.58 1.16 -0.09 6.26 2.02 -2.00 -0.88 112.91 119.96 2dxb h THR 38 Ca 0.11 -0.30 -0.14 0.00 0.77 0.00 0.00 66.41 66.85 2dxb h THR 38 Cb 0.49 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2dxb h THR 38 CO 0.03 0.15 -0.56 -0.07 0.37 0.00 0.00 175.52 175.43 2dxb h LEU 39 N 0.78 0.30 -0.29 2.58 3.38 -1.84 -1.96 115.31 118.27 2dxb h LEU 39 Ca 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2dxb h LEU 39 Cb -0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2dxb h LEU 39 CO -0.04 0.80 0.14 0.15 0.09 0.00 0.00 178.44 179.58 2dxb h PHE 40 N 0.21 0.41 -0.67 1.13 3.57 -0.57 0.53 116.94 121.54 2dxb h PHE 40 Ca -0.00 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 2dxb h PHE 40 Cb 1.06 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 2dxb h PHE 40 CO 0.02 0.37 0.11 -0.09 -2.23 0.00 0.00 178.31 176.49 2dxb h ARG 41 N 0.34 1.10 -0.44 1.11 2.43 -1.10 -1.33 114.38 116.48 2dxb h ARG 41 Ca 0.10 -0.29 -0.11 0.00 -0.81 0.00 0.00 59.98 58.87 2dxb h ARG 41 Cb 0.11 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2dxb h ARG 41 CO -0.01 1.00 -0.16 0.00 -1.51 0.00 0.00 179.97 179.29 2dxb h ALA 42 N 1.08 0.90 0.00 2.80 0.00 -1.03 -2.38 119.26 120.64 2dxb h ALA 42 Ca 0.20 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2dxb h ALA 42 Cb 0.44 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2dxb h ALA 42 CO 0.01 0.63 -0.83 1.88 0.00 0.00 0.00 179.25 180.94 2dxb h TYR 43 N 0.73 0.12 -0.27 0.00 0.99 -0.72 -3.25 116.97 114.57 2dxb h TYR 43 Ca 0.11 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2dxb h TYR 43 Cb 0.67 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.38 2dxb h TYR 43 CO 0.04 0.87 0.00 0.25 -0.00 0.00 0.00 178.16 179.31 2dxb n THR 44 N -3.62 0.35 -0.56 -2.88 -2.24 -0.52 -4.96 114.28 99.84 2dxb n THR 44 Ca -0.02 -0.53 -0.28 0.00 -2.27 0.00 0.00 64.05 60.95 2dxb n THR 44 Cb 0.78 0.63 0.25 0.00 -2.10 0.00 0.00 70.33 69.88 2dxb n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dxb s ARG 45 N -1.65 -0.80 -0.30 -0.78 1.70 -0.90 -4.98 118.95 111.24 2dxb s ARG 45 Ca 0.35 0.89 -0.13 0.00 -0.47 0.00 0.00 55.73 56.36 2dxb s ARG 45 Cb 0.19 -1.56 -0.03 0.00 -0.57 0.00 0.00 34.95 32.98 2dxb s ARG 45 CO 0.28 -3.66 0.29 0.14 -1.08 0.00 0.00 175.30 171.27 2dxb s VAL 46 N -2.48 5.23 0.51 4.99 -7.23 -1.26 -4.98 120.40 115.19 2dxb s VAL 46 Ca 0.68 0.22 0.33 0.00 -1.81 0.00 0.00 61.98 61.40 2dxb s VAL 46 Cb -0.25 -3.67 0.51 0.00 0.56 0.00 0.00 36.38 33.54 2dxb s VAL 46 CO 0.64 0.11 1.80 -0.65 -0.31 0.00 0.00 175.10 176.70 2dxb h PRO 47 N 8.35 0.08 0.00 4.82 0.11 -1.82 -2.19 132.00 141.34 2dxb h PRO 47 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2dxb h PRO 47 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2dxb h PRO 47 CO 0.62 0.05 0.00 -2.39 -0.21 0.00 0.00 178.00 176.07 2dxb n HIS 48 N -4.28 0.38 -2.81 0.65 1.44 -1.17 -4.44 115.22 104.98 2dxb n HIS 48 Ca 0.25 0.13 -0.44 0.00 -2.01 0.00 0.00 57.72 55.66 2dxb n HIS 48 Cb 1.15 -0.72 -0.00 0.00 0.12 0.00 0.00 29.99 30.54 2dxb n HIS 48 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2dxb s ASP 49 N -3.60 6.97 0.00 4.39 2.15 -0.82 -4.74 116.67 121.02 2dxb s ASP 49 Ca 0.08 -2.74 0.16 0.00 0.43 0.00 0.00 52.55 50.48 2dxb s ASP 49 Cb 0.12 -2.47 0.08 0.00 -0.30 0.00 0.00 42.92 40.35 2dxb s ASP 49 CO 0.41 -0.92 0.95 1.33 -0.17 0.00 0.00 175.17 176.77 2dxb n VAL 50 N 5.30 0.00 -1.70 1.11 0.24 -1.26 -4.99 118.33 117.03 2dxb n VAL 50 Ca 0.40 -0.44 -0.42 0.00 -2.04 0.00 0.00 64.34 61.84 2dxb n VAL 50 Cb 0.44 1.28 -0.03 0.00 -1.47 0.00 0.00 33.84 34.06 2dxb n VAL 50 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2dxb s GLY 51 N -1.54 1.27 0.00 7.63 0.00 -1.26 -2.17 107.32 111.25 2dxb s GLY 51 Ca 0.17 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.40 2dxb s GLY 51 CO 0.27 3.07 0.00 0.61 0.00 0.00 0.00 173.10 177.06 2dxb n GLY 52 N 4.16 1.02 3.76 0.20 0.00 -1.26 -5.05 105.19 108.02 2dxb n GLY 52 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2dxb n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dxb s GLU 53 N -0.92 4.46 0.32 1.61 2.02 -0.92 -4.98 118.70 120.29 2dxb s GLU 53 Ca 0.00 2.04 -0.29 0.00 0.02 0.00 0.00 54.97 56.75 2dxb s GLU 53 Cb 0.00 -3.14 -0.10 0.00 0.10 0.00 0.00 34.13 30.99 2dxb s GLU 53 CO 0.00 -0.06 1.29 0.00 0.02 0.00 0.00 175.26 176.50 2dxb s ALA 54 N -0.90 3.49 0.20 5.21 0.00 -1.26 -5.02 121.76 123.49 2dxb s ALA 54 Ca 0.49 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 53.52 2dxb s ALA 54 Cb -0.36 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.30 2dxb s ALA 54 CO 0.46 -0.58 0.46 0.34 0.00 0.00 0.00 175.76 176.44 2dxb s ASP 55 N -0.49 -0.15 0.56 0.00 -1.08 -1.26 -5.18 116.67 109.07 2dxb s ASP 55 Ca 0.49 -0.69 0.01 0.00 -0.52 0.00 0.00 52.55 51.84 2dxb s ASP 55 Cb -0.39 0.55 0.04 0.00 -1.46 0.00 0.00 42.92 41.67 2dxb s ASP 55 CO 0.51 -1.05 0.79 0.68 0.52 0.00 0.00 175.17 176.61 2dxb s VAL 56 N -3.93 2.62 0.09 1.11 -7.23 -1.26 -5.07 120.40 106.73 2dxb s VAL 56 Ca 0.14 -0.67 -0.25 0.00 -1.81 0.00 0.00 61.98 59.39 2dxb s VAL 56 Cb -0.00 -2.95 -0.06 0.00 0.56 0.00 0.00 36.38 33.92 2dxb s VAL 56 CO 0.01 0.00 0.76 -2.84 -0.31 0.00 0.00 175.10 172.73 2dxb s PRO 57 N -4.78 4.51 0.04 4.82 0.02 -1.26 -5.05 135.00 133.29 2dxb s PRO 57 Ca 0.58 1.09 0.03 0.00 0.02 0.00 0.00 61.00 62.72 2dxb s PRO 57 Cb -0.10 -3.32 -0.02 0.00 0.02 0.00 0.00 34.50 31.08 2dxb s PRO 57 CO 0.39 0.40 -0.09 0.96 -0.33 0.00 0.00 177.00 178.32 2dxb s ILE 58 N -0.48 0.68 -0.52 2.83 -0.00 -1.26 -5.08 121.20 117.37 2dxb s ILE 58 Ca 0.37 -0.96 -0.28 0.00 -0.00 0.00 0.00 60.65 59.79 2dxb s ILE 58 Cb -0.21 -0.69 -0.00 0.00 -0.00 0.00 0.00 42.46 41.56 2dxb s ILE 58 CO 0.24 -0.22 1.61 -0.70 -0.00 0.00 0.00 174.94 175.87 2dxb s GLU 59 N -1.29 3.15 0.37 0.37 2.12 -1.26 -4.95 118.70 117.21 2dxb s GLU 59 Ca -0.05 0.73 -0.28 0.00 0.36 0.00 0.00 54.97 55.73 2dxb s GLU 59 Cb -0.08 -4.20 -0.11 0.00 0.26 0.00 0.00 34.13 29.99 2dxb s GLU 59 CO 0.01 -2.11 1.48 0.66 -0.54 0.00 0.00 175.26 174.76 2dxb n TYR 60 N 10.53 2.95 -4.24 5.30 4.01 -1.26 -5.02 117.16 129.42 2dxb n TYR 60 Ca 0.17 0.44 -0.14 0.00 -0.16 0.00 0.00 57.90 58.22 2dxb n TYR 60 Cb 0.49 -2.53 -0.10 0.00 -0.31 0.00 0.00 39.34 36.89 2dxb n TYR 60 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2dxb s HIS 61 N -1.07 1.22 0.41 -0.72 -3.43 -1.26 -5.15 115.29 105.30 2dxb s HIS 61 Ca 0.54 -0.87 0.02 0.00 -0.80 0.00 0.00 55.06 53.95 2dxb s HIS 61 Cb -0.48 -0.67 -0.01 0.00 -1.43 0.00 0.00 32.58 29.99 2dxb s HIS 61 CO 0.63 -0.04 0.62 -1.21 -2.00 0.00 0.00 174.74 172.74 2dxb s GLU 62 N -3.82 3.12 -0.03 -0.38 0.41 -1.26 -5.11 118.70 111.63 2dxb s GLU 62 Ca 0.19 -0.58 -0.02 0.00 -0.41 0.00 0.00 54.97 54.15 2dxb s GLU 62 Cb 0.04 -2.62 0.02 0.00 -1.78 0.00 0.00 34.13 29.79 2dxb s GLU 62 CO 0.01 -0.16 0.07 0.21 -0.49 0.00 0.00 175.26 174.91 2dxb s LYS 63 N -4.45 0.04 0.51 1.61 2.20 -1.26 -5.13 119.74 113.26 2dxb s LYS 63 Ca 0.47 0.19 -0.22 0.00 -0.36 0.00 0.00 55.97 56.05 2dxb s LYS 63 Cb -0.10 -0.11 -0.06 0.00 -1.51 0.00 0.00 37.83 36.06 2dxb s LYS 63 CO 0.36 -0.10 1.24 -1.21 -0.36 0.00 0.00 175.35 175.29 2dxb s GLU 64 N 0.64 3.41 0.09 4.03 2.02 -1.26 -4.97 118.70 122.66 2dxb s GLU 64 Ca -0.05 1.95 -0.28 0.00 0.02 0.00 0.00 54.97 56.61 2dxb s GLU 64 Cb -0.07 -2.27 -0.06 0.00 0.10 0.00 0.00 34.13 31.83 2dxb s GLU 64 CO -0.02 -0.89 0.90 -2.00 0.02 0.00 0.00 175.26 173.26 2dxb s GLU 65 N -2.88 4.63 0.30 1.61 2.12 -1.26 -5.04 118.70 118.19 2dxb s GLU 65 Ca 0.69 1.32 -0.20 0.00 0.36 0.00 0.00 54.97 57.14 2dxb s GLU 65 Cb -0.33 -3.37 -0.09 0.00 0.26 0.00 0.00 34.13 30.60 2dxb s GLU 65 CO 0.39 0.25 0.81 -1.21 -0.54 0.00 0.00 175.26 174.95 2dxb s GLU 66 N -0.06 4.25 0.24 4.30 0.41 -1.26 -4.96 118.70 121.62 2dxb s GLU 66 Ca 0.44 0.94 -0.05 0.00 -0.41 0.00 0.00 54.97 55.89 2dxb s GLU 66 Cb -0.22 -2.63 0.34 0.00 -1.78 0.00 0.00 34.13 29.83 2dxb s GLU 66 CO 0.28 0.24 1.85 0.82 -0.49 0.00 0.00 175.26 177.96 2dxb h ILE 67 N 2.38 1.03 0.00 -1.63 2.04 -2.00 -0.71 117.51 118.61 2dxb h ILE 67 Ca -0.48 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 2dxb h ILE 67 Cb 1.19 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2dxb h ILE 67 CO 0.65 0.17 -0.21 4.11 0.00 0.00 0.00 178.15 182.87 2dxb h TRP 68 N 0.96 0.00 -0.14 1.37 5.08 -1.99 -1.59 115.95 119.64 2dxb h TRP 68 Ca 0.38 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 60.24 2dxb h TRP 68 Cb 0.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.34 2dxb h TRP 68 CO -0.03 0.21 -0.31 0.93 -1.28 0.00 0.00 178.44 177.95 2dxb h GLU 69 N 0.00 0.46 -0.60 0.12 5.08 -1.54 0.07 114.58 118.18 2dxb h GLU 69 Ca -0.00 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2dxb h GLU 69 Cb 0.47 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2dxb h GLU 69 CO 0.03 0.91 0.36 1.25 -1.00 0.00 0.00 179.01 180.56 2dxb h LEU 70 N 0.07 0.72 -0.83 1.33 5.85 -1.08 0.16 115.31 121.53 2dxb h LEU 70 Ca 0.00 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 2dxb h LEU 70 Cb 0.91 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 2dxb h LEU 70 CO 0.07 0.57 0.27 0.78 -0.34 0.00 0.00 178.44 179.79 2dxb h ASN 71 N 0.81 1.06 -0.20 1.25 -0.26 -1.24 -1.57 115.58 115.42 2dxb h ASN 71 Ca 0.21 -0.18 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 2dxb h ASN 71 Cb -0.02 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 36.96 2dxb h ASN 71 CO -0.04 0.95 0.06 0.74 -1.06 0.00 0.00 177.43 178.09 2dxb h THR 72 N 1.10 1.19 -0.36 2.81 2.02 -0.42 -0.58 112.91 118.67 2dxb h THR 72 Ca 0.25 -0.61 0.04 0.00 0.77 0.00 0.00 66.41 66.86 2dxb h THR 72 Cb 0.25 1.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2dxb h THR 72 CO -0.02 0.19 0.13 0.15 0.37 0.00 0.00 175.52 176.34 2dxb h PHE 73 N 0.15 0.23 -0.90 3.16 3.57 -0.77 -0.70 116.94 121.69 2dxb h PHE 73 Ca 0.07 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2dxb h PHE 73 Cb 0.24 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 2dxb h PHE 73 CO 0.00 0.10 0.48 0.00 -2.23 0.00 0.00 178.31 176.66 2dxb h ALA 74 N 1.23 1.16 -0.31 2.41 0.00 -1.15 -1.68 119.26 120.92 2dxb h ALA 74 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2dxb h ALA 74 Cb 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2dxb h ALA 74 CO -0.16 0.67 0.14 1.15 0.00 0.00 0.00 179.25 181.05 2dxb h THR 75 N 1.26 1.17 -0.65 0.00 2.02 -0.43 -0.05 112.91 116.22 2dxb h THR 75 Ca 0.32 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 2dxb h THR 75 Cb 0.04 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2dxb h THR 75 CO -0.05 0.17 0.30 0.00 0.37 0.00 0.00 175.52 176.31 2dxb h GLU 77 N 0.91 0.42 -0.25 0.00 4.39 -1.19 -2.35 114.58 116.50 2dxb h GLU 77 Ca 0.22 -0.22 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 2dxb h GLU 77 Cb 0.14 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2dxb h GLU 77 CO -0.03 0.78 -0.41 0.00 -1.16 0.00 0.00 179.01 178.20 2dxb h LEU 79 N 0.49 0.54 -0.05 0.00 3.38 -0.88 0.13 115.31 118.91 2dxb h LEU 79 Ca 0.04 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2dxb h LEU 79 Cb 0.92 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.53 2dxb h LEU 79 CO 0.08 0.64 -0.33 0.00 0.09 0.00 0.00 178.44 178.92 2dxb h ALA 80 N 1.42 0.11 -0.50 1.53 0.00 -1.08 0.17 119.26 120.92 2dxb h ALA 80 Ca 0.11 -0.46 0.09 0.00 0.00 0.00 0.00 54.91 54.65 2dxb h ALA 80 Cb 0.42 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 2dxb h ALA 80 CO 0.02 0.19 0.04 2.35 0.00 0.00 0.00 179.25 181.85 2dxb h TRP 81 N -0.20 0.05 -0.17 0.00 7.01 -0.33 -1.32 115.95 120.98 2dxb h TRP 81 Ca -0.03 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2dxb h TRP 81 Cb 1.00 0.06 0.00 0.00 -2.10 0.00 0.00 29.16 28.12 2dxb h TRP 81 CO 0.14 -0.07 0.00 0.54 -2.79 0.00 0.00 178.44 176.26 2dxb n ARG 82 N -5.18 1.54 -1.00 2.65 5.12 0.00 -4.92 116.66 114.86 2dxb n ARG 82 Ca 0.06 -0.68 -0.00 0.00 -1.93 0.00 0.00 57.85 55.29 2dxb n ARG 82 Cb 0.26 -1.26 -0.00 0.00 -1.16 0.00 0.00 32.46 30.30 2dxb n ARG 82 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dxb n GLY 83 N 0.65 0.44 0.14 -0.13 0.00 -0.50 -4.93 105.19 100.86 2dxb n GLY 83 Ca 0.06 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.36 2dxb n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dxb h VAL 84 N 0.00 1.46 -2.57 1.61 2.07 -0.88 -3.47 116.25 114.46 2dxb h VAL 84 Ca -0.00 -2.29 0.14 0.00 0.82 0.00 0.00 66.70 65.36 2dxb h VAL 84 Cb 0.02 2.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.95 2dxb h VAL 84 CO 0.00 0.66 0.41 -1.66 0.02 0.00 0.00 177.57 177.01 2dxb s TRP 85 N -3.50 -0.13 0.31 1.57 -2.14 -1.22 -5.02 118.94 108.83 2dxb s TRP 85 Ca -0.02 -0.25 0.07 0.00 2.66 0.00 0.00 56.10 58.56 2dxb s TRP 85 Cb 0.12 0.67 -0.03 0.00 -3.10 0.00 0.00 33.47 31.13 2dxb s TRP 85 CO 0.79 -0.99 0.29 0.95 -2.66 0.00 0.00 176.95 175.33 2dxb s THR 86 N -3.38 3.83 0.40 0.66 -4.23 -1.26 -4.06 115.64 107.60 2dxb s THR 86 Ca 0.13 -1.34 0.07 0.00 -1.18 0.00 0.00 61.69 59.36 2dxb s THR 86 Cb -0.03 -3.27 0.27 0.00 1.34 0.00 0.00 72.50 70.81 2dxb s THR 86 CO 0.04 -0.22 2.05 0.00 -0.54 0.00 0.00 174.62 175.96 2dxb h ALA 87 N 1.27 1.70 -0.36 3.99 0.00 -1.96 -2.07 119.26 121.84 2dxb h ALA 87 Ca -0.46 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2dxb h ALA 87 Cb 1.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2dxb h ALA 87 CO 0.59 0.27 -0.14 0.93 0.00 0.00 0.00 179.25 180.89 2dxb h GLU 88 N 0.58 0.64 -0.41 0.00 4.39 -1.99 0.64 114.58 118.43 2dxb h GLU 88 Ca 0.16 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 2dxb h GLU 88 Cb -0.04 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2dxb h GLU 88 CO -0.04 0.76 -0.23 0.93 -1.16 0.00 0.00 179.01 179.27 2dxb h GLU 89 N 0.58 0.83 0.13 2.33 5.08 -1.79 -2.18 114.58 119.55 2dxb h GLU 89 Ca 0.10 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2dxb h GLU 89 Cb 0.58 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2dxb h GLU 89 CO 0.04 0.98 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.87 2dxb h ARG 90 N 0.72 -0.17 -0.64 2.33 2.43 -0.79 -2.06 114.38 116.20 2dxb h ARG 90 Ca 0.10 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 2dxb h ARG 90 Cb 0.76 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.29 2dxb h ARG 90 CO 0.06 -0.05 0.33 0.00 -1.51 0.00 0.00 179.97 178.80 2dxb h ARG 91 N -0.25 0.58 -0.52 0.20 3.08 -0.78 0.47 114.38 117.15 2dxb h ARG 91 Ca -0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2dxb h ARG 91 Cb 0.20 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2dxb h ARG 91 CO 0.03 0.38 0.31 -0.09 -1.07 0.00 0.00 179.97 179.54 2dxb h ARG 92 N 0.60 0.71 -0.11 0.04 1.12 -1.27 0.27 114.38 115.73 2dxb h ARG 92 Ca 0.30 -0.06 -0.23 0.00 -1.11 0.00 0.00 59.98 58.88 2dxb h ARG 92 Cb 0.24 -0.15 0.01 0.00 -0.01 0.00 0.00 29.97 30.06 2dxb h ARG 92 CO -0.21 0.51 -0.83 0.87 -3.11 0.00 0.00 179.97 177.20 2dxb h LYS 93 N 0.70 0.71 0.12 0.20 1.57 -0.83 -0.55 116.57 118.48 2dxb h LYS 93 Ca 0.19 -0.62 -0.22 0.00 -1.87 0.00 0.00 60.65 58.13 2dxb h LYS 93 Cb -0.01 0.14 0.02 0.00 0.08 0.00 0.00 32.23 32.46 2dxb h LYS 93 CO -0.04 1.22 -0.93 0.37 -0.57 0.00 0.00 179.45 179.51 2dxb h GLN 94 N 0.46 0.42 -0.01 3.15 4.15 0.04 -3.12 115.11 120.20 2dxb h GLN 94 Ca -0.07 -0.61 0.00 0.00 0.77 0.00 0.00 58.65 58.74 2dxb h GLN 94 Cb 1.46 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.36 2dxb h GLN 94 CO 0.16 1.26 -0.59 0.09 -1.93 0.00 0.00 178.83 177.82 2dxb n ASN 95 N -4.03 1.63 0.03 -0.69 3.02 0.94 -4.55 115.26 111.60 2dxb n ASN 95 Ca -0.13 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 2dxb n ASN 95 Cb 0.85 0.64 0.00 0.00 -0.61 0.00 0.00 39.78 40.66 2dxb n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dxb h ASP 97 N 0.00 0.00 0.58 0.00 3.32 -1.10 -2.52 116.42 116.70 2dxb h ASP 97 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dxb h ASP 97 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2dxb h ASP 97 CO 0.00 0.03 0.00 1.33 -1.72 0.00 0.00 179.24 178.88 2dxb n VAL 98 N -3.59 0.88 0.00 -1.35 0.24 -1.18 -4.99 118.33 108.35 2dxb n VAL 98 Ca -0.03 0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 2dxb n VAL 98 Cb 0.13 -1.27 0.00 0.00 -1.47 0.00 0.00 33.84 31.23 2dxb n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dxb n GLY 99 N -0.26 -2.08 0.21 7.63 0.00 -0.95 -4.34 105.19 105.40 2dxb n GLY 99 Ca 0.01 -1.45 -0.02 0.00 0.00 0.00 0.00 46.02 44.56 2dxb n GLY 99 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dxb h GLN 100 N 0.00 0.04 0.75 1.61 5.75 -1.94 -0.46 115.11 120.87 2dxb h GLN 100 Ca 0.00 -0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 2dxb h GLN 100 Cb 0.00 -0.01 0.01 0.00 1.07 0.00 0.00 27.48 28.55 2dxb h GLN 100 CO 0.00 0.03 -0.36 1.15 -2.65 0.00 0.00 178.83 176.99 2dxb h THR 101 N 0.04 0.25 -0.36 2.39 2.02 -2.00 -2.92 112.91 112.33 2dxb h THR 101 Ca 0.26 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.38 2dxb h THR 101 Cb 0.40 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 2dxb h THR 101 CO -0.51 0.00 0.04 0.58 0.37 0.00 0.00 175.52 176.00 2dxb h VAL 102 N -1.03 1.19 -0.53 3.16 2.07 -1.74 0.14 116.25 119.52 2dxb h VAL 102 Ca -0.10 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.75 2dxb h VAL 102 Cb 0.78 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2dxb h VAL 102 CO 0.17 0.26 0.35 0.22 0.02 0.00 0.00 177.57 178.59 2dxb h TYR 103 N 0.54 0.47 0.00 1.57 3.20 -0.92 -1.84 116.97 119.98 2dxb h TYR 103 Ca 0.12 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2dxb h TYR 103 Cb 0.29 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2dxb h TYR 103 CO 0.01 0.25 -0.61 1.28 -1.64 0.00 0.00 178.16 177.45 2dxb n LEU 104 N -4.47 0.20 0.01 2.82 4.77 -1.12 -4.63 117.00 114.58 2dxb n LEU 104 Ca 0.07 -0.34 -0.07 0.00 -0.03 0.00 0.00 56.01 55.64 2dxb n LEU 104 Cb 0.25 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.22 2dxb n LEU 104 CO 0.34 0.05 -0.30 1.23 -1.33 0.00 0.00 177.39 177.38 2dxb h GLY 105 N 1.38 0.00 -2.69 -0.72 0.00 -0.60 -3.47 103.07 96.97 2dxb h GLY 105 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 2dxb h GLY 105 CO 0.00 0.00 -0.29 1.06 0.00 0.00 0.00 176.54 177.31 2dxb s MET 106 N -2.67 3.12 0.50 4.80 -1.94 -0.70 -5.03 119.30 117.38 2dxb s MET 106 Ca -0.03 -0.89 -0.19 0.00 -1.71 0.00 0.00 55.69 52.87 2dxb s MET 106 Cb 0.09 -2.77 -0.08 0.00 2.01 0.00 0.00 34.83 34.08 2dxb s MET 106 CO 0.82 0.00 1.03 -2.14 -0.01 0.00 0.00 175.02 174.73 2dxb s PRO 107 N -4.25 3.74 0.06 2.03 0.02 -1.26 -4.91 135.00 130.43 2dxb s PRO 107 Ca 0.45 1.30 -0.13 0.00 0.02 0.00 0.00 61.00 62.64 2dxb s PRO 107 Cb -0.10 -2.09 -0.03 0.00 0.02 0.00 0.00 34.50 32.30 2dxb s PRO 107 CO 0.32 -0.47 1.22 -0.92 -0.33 0.00 0.00 177.00 176.82 2dxb h TYR 108 N 1.33 -0.75 0.00 6.54 3.20 -1.97 0.66 116.97 125.99 2dxb h TYR 108 Ca -0.49 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2dxb h TYR 108 Cb 1.22 0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.86 2dxb h TYR 108 CO 0.58 -0.16 0.00 1.88 -1.64 0.00 0.00 178.16 178.82 2dxb h TYR 109 N -0.04 0.00 -0.44 -3.82 0.99 -1.99 -2.06 116.97 109.61 2dxb h TYR 109 Ca 0.06 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.73 2dxb h TYR 109 Cb 0.18 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.89 2dxb h TYR 109 CO -0.90 0.00 0.03 0.78 -0.00 0.00 0.00 178.16 178.07 2dxb h GLY 110 N 1.49 0.75 1.46 3.88 0.00 -1.27 -0.59 103.07 108.79 2dxb h GLY 110 Ca 0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 47.33 46.69 2dxb h GLY 110 CO 0.00 0.43 -0.67 3.21 0.00 0.00 0.00 176.54 179.51 2dxb h ARG 111 N 0.66 0.55 -0.21 4.80 3.08 -0.62 -1.22 114.38 121.43 2dxb h ARG 111 Ca 0.14 -0.41 0.01 0.00 0.07 0.00 0.00 59.98 59.79 2dxb h ARG 111 Cb 0.36 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2dxb h ARG 111 CO 0.01 1.03 0.11 -1.49 -1.07 0.00 0.00 179.97 178.56 2dxb h TRP 112 N 0.39 0.21 -0.10 3.04 4.06 -1.28 -1.34 115.95 120.93 2dxb h TRP 112 Ca -0.02 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 2dxb h TRP 112 Cb 1.25 -0.06 -0.00 0.00 -1.00 0.00 0.00 29.16 29.34 2dxb h TRP 112 CO 0.05 0.12 0.02 1.25 -3.56 0.00 0.00 178.44 176.33 2dxb h LEU 113 N 0.24 0.15 -1.05 -4.49 5.85 -1.05 -1.32 115.31 113.64 2dxb h LEU 113 Ca 0.08 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.63 2dxb h LEU 113 Cb 0.00 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 2dxb h LEU 113 CO -0.05 0.35 0.64 -0.07 -0.34 0.00 0.00 178.44 178.97 2dxb h LEU 114 N -0.05 1.02 -0.65 2.25 3.38 -1.15 -1.76 115.31 118.36 2dxb h LEU 114 Ca 0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2dxb h LEU 114 Cb 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2dxb h LEU 114 CO 0.00 0.67 -0.55 0.74 0.09 0.00 0.00 178.44 179.39 2dxb h THR 115 N 1.17 1.35 -0.66 0.22 2.02 -1.07 -0.45 112.91 115.50 2dxb h THR 115 Ca 0.41 -1.83 -0.05 0.00 0.77 0.00 0.00 66.41 65.72 2dxb h THR 115 Cb 0.12 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 2dxb h THR 115 CO -0.15 0.55 0.23 0.00 0.37 0.00 0.00 175.52 176.52 2dxb h ALA 116 N 1.14 0.86 -0.48 6.16 0.00 -0.61 -0.13 119.26 126.20 2dxb h ALA 116 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2dxb h ALA 116 Cb 1.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2dxb h ALA 116 CO 0.09 0.51 0.03 0.00 0.00 0.00 0.00 179.25 179.89 2dxb h ALA 117 N 1.09 1.16 0.18 0.00 0.00 -1.05 -3.07 119.26 117.58 2dxb h ALA 117 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2dxb h ALA 117 Cb 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dxb h ALA 117 CO -0.01 0.55 -0.09 0.00 0.00 0.00 0.00 179.25 179.70 2dxb h ARG 118 N 0.73 -0.24 -0.75 0.00 2.47 -0.10 -3.02 114.38 113.47 2dxb h ARG 118 Ca 0.15 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.95 2dxb h ARG 118 Cb 0.40 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.72 2dxb h ARG 118 CO 0.01 -0.06 0.49 0.97 0.56 0.00 0.00 179.97 181.94 2dxb h ILE 119 N -0.36 1.02 -0.89 2.04 -0.00 -1.02 0.34 117.51 118.63 2dxb h ILE 119 Ca -0.03 -0.27 -0.00 0.00 -0.00 0.00 0.00 64.86 64.57 2dxb h ILE 119 Cb 0.28 0.17 -0.04 0.00 -0.00 0.00 0.00 36.82 37.22 2dxb h ILE 119 CO 0.04 0.14 0.55 -0.07 -0.00 0.00 0.00 178.15 178.82 2dxb h LEU 120 N 0.78 1.05 0.11 2.19 3.38 -1.44 -1.83 115.31 119.56 2dxb h LEU 120 Ca 0.33 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 58.05 2dxb h LEU 120 Cb 0.27 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.77 2dxb h LEU 120 CO -0.11 0.79 -0.90 0.58 0.09 0.00 0.00 178.44 178.89 2dxb h VAL 121 N 1.22 1.40 -0.95 1.22 2.07 -1.04 0.15 116.25 120.32 2dxb h VAL 121 Ca 0.32 -2.47 0.03 0.00 0.82 0.00 0.00 66.70 65.40 2dxb h VAL 121 Cb -0.08 3.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.70 2dxb h VAL 121 CO -0.06 0.69 0.62 0.44 0.02 0.00 0.00 177.57 179.28 2dxb h ASP 122 N -0.45 1.05 -0.41 0.57 3.32 -0.33 -1.24 116.42 118.92 2dxb h ASP 122 Ca -0.18 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2dxb h ASP 122 Cb 1.59 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2dxb h ASP 122 CO 0.10 0.73 0.00 0.29 -1.72 0.00 0.00 179.24 178.63 2dxb n LYS 123 N -4.43 2.55 -3.56 3.56 5.02 -0.69 -4.94 118.16 115.67 2dxb n LYS 123 Ca 0.12 -1.73 -0.26 0.00 -2.02 0.00 0.00 58.31 54.42 2dxb n LYS 123 Cb 0.08 -1.59 0.04 0.00 -0.02 0.00 0.00 35.03 33.54 2dxb n LYS 123 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dxb n GLN 124 N 0.65 -5.65 0.16 1.97 6.02 -0.47 -4.87 117.38 115.19 2dxb n GLN 124 Ca 0.16 0.70 0.11 0.00 -0.01 0.00 0.00 57.00 57.96 2dxb n GLN 124 Cb 0.55 -5.60 0.08 0.00 1.02 0.00 0.00 30.24 26.29 2dxb n GLN 124 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2dxb h PHE 125 N -1.92 0.00 -3.25 1.08 0.04 -1.22 -3.45 116.94 108.22 2dxb h PHE 125 Ca -0.54 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.09 2dxb h PHE 125 Cb 1.36 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 39.30 2dxb h PHE 125 CO 0.56 0.01 -0.39 0.14 -0.60 0.00 0.00 178.31 178.03 2dxb s VAL 126 N -3.28 0.06 0.51 -0.55 -7.23 -0.98 -5.04 120.40 103.88 2dxb s VAL 126 Ca 0.03 -0.49 -0.08 0.00 -1.81 0.00 0.00 61.98 59.63 2dxb s VAL 126 Cb 0.07 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 2dxb s VAL 126 CO 0.74 -0.27 0.85 0.42 -0.31 0.00 0.00 175.10 176.52 2dxb s THR 127 N -1.11 4.83 0.46 5.32 -4.23 -1.26 -4.22 115.64 115.43 2dxb s THR 127 Ca -0.12 0.45 0.12 0.00 -1.18 0.00 0.00 61.69 60.96 2dxb s THR 127 Cb -0.06 -3.85 0.23 0.00 1.34 0.00 0.00 72.50 70.17 2dxb s THR 127 CO 0.02 -0.88 2.06 0.25 -0.54 0.00 0.00 174.62 175.54 2dxb h LEU 128 N 0.25 0.16 -0.62 4.79 5.85 -1.96 -1.44 115.31 122.34 2dxb h LEU 128 Ca -0.46 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2dxb h LEU 128 Cb 1.20 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2dxb h LEU 128 CO 0.62 0.18 0.39 0.74 -0.34 0.00 0.00 178.44 180.04 2dxb h THR 129 N 0.18 1.17 -0.52 1.05 2.02 -1.99 0.73 112.91 115.54 2dxb h THR 129 Ca 0.05 -0.34 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 2dxb h THR 129 Cb 0.10 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2dxb h THR 129 CO -0.00 0.17 -0.02 -0.33 0.37 0.00 0.00 175.52 175.71 2dxb h GLU 130 N 0.84 0.90 -0.28 6.66 5.08 -1.65 -0.55 114.58 125.57 2dxb h GLU 130 Ca 0.22 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2dxb h GLU 130 Cb -0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2dxb h GLU 130 CO -0.05 0.91 -0.03 1.25 -1.00 0.00 0.00 179.01 180.10 2dxb h LEU 131 N 0.83 0.52 -0.71 1.33 5.85 -0.85 0.12 115.31 122.40 2dxb h LEU 131 Ca 0.15 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 2dxb h LEU 131 Cb 0.53 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2dxb h LEU 131 CO 0.03 0.73 0.33 0.45 -0.34 0.00 0.00 178.44 179.63 2dxb h HIS 132 N 0.30 1.03 -0.23 1.25 3.86 -0.72 -0.98 115.15 119.66 2dxb h HIS 132 Ca 0.08 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 2dxb h HIS 132 Cb 0.48 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 2dxb h HIS 132 CO 0.04 0.77 -0.29 -0.91 0.86 0.00 0.00 177.93 178.41 2dxb h ASN 133 N 0.99 0.47 -0.35 2.45 2.35 -0.95 -2.02 115.58 118.52 2dxb h ASN 133 Ca 0.24 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.72 2dxb h ASN 133 Cb 0.14 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2dxb h ASN 133 CO -0.03 0.75 -0.16 0.50 -1.65 0.00 0.00 177.43 176.84 2dxb h LYS 134 N 0.40 0.82 -0.43 0.81 1.63 -0.28 0.58 116.57 120.10 2dxb h LYS 134 Ca 0.05 -0.30 -0.01 0.00 -0.85 0.00 0.00 60.65 59.55 2dxb h LYS 134 Cb 0.71 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 2dxb h LYS 134 CO 0.05 0.92 0.24 0.82 -3.45 0.00 0.00 179.45 178.03 2dxb h ILE 135 N 0.73 1.16 -0.11 2.00 1.08 -0.84 -0.13 117.51 121.39 2dxb h ILE 135 Ca 0.11 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 2dxb h ILE 135 Cb 0.67 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 2dxb h ILE 135 CO 0.05 0.17 0.07 0.58 -0.69 0.00 0.00 178.15 178.32 2dxb h VAL 136 N 0.56 1.07 -0.97 1.67 2.07 -1.07 -1.53 116.25 118.05 2dxb h VAL 136 Ca 0.15 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.58 2dxb h VAL 136 Cb 0.05 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 30.74 2dxb h VAL 136 CO -0.02 0.06 0.61 -0.08 0.02 0.00 0.00 177.57 178.16 2dxb h GLU 137 N 0.11 1.00 -0.57 1.57 4.81 -0.57 0.03 114.58 120.96 2dxb h GLU 137 Ca 0.04 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 2dxb h GLU 137 Cb 0.04 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2dxb h GLU 137 CO -0.01 0.66 0.07 1.98 -0.73 0.00 0.00 179.01 180.99 2dxb h MET 138 N 1.03 0.95 -0.38 1.92 4.05 -0.60 -1.12 114.93 120.77 2dxb h MET 138 Ca 0.45 -0.26 -0.06 0.00 -0.28 0.00 0.00 59.70 59.55 2dxb h MET 138 Cb 0.34 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 2dxb h MET 138 CO -0.23 0.92 -0.00 0.00 0.23 0.00 0.00 176.91 177.83 2dxb h ARG 139 N 0.84 0.67 -0.56 0.39 3.08 -0.36 -2.63 114.38 115.81 2dxb h ARG 139 Ca 0.17 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2dxb h ARG 139 Cb 0.44 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 2dxb h ARG 139 CO 0.01 0.77 0.19 0.93 -1.07 0.00 0.00 179.97 180.81 2dxb h GLU 140 N 0.49 0.83 -0.61 0.04 5.08 -0.91 0.01 114.58 119.51 2dxb h GLU 140 Ca 0.11 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2dxb h GLU 140 Cb 0.47 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2dxb h GLU 140 CO 0.02 0.71 0.38 -0.09 -1.00 0.00 0.00 179.01 179.03 2dxb h ARG 141 N 0.81 0.73 -0.24 2.33 2.43 -0.99 -0.87 114.38 118.58 2dxb h ARG 141 Ca 0.19 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.17 2dxb h ARG 141 Cb 0.21 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2dxb h ARG 141 CO -0.01 0.48 -0.43 0.28 -1.51 0.00 0.00 179.97 178.78 2dxb h VAL 142 N 0.75 1.31 0.00 0.20 2.07 -1.06 -1.04 116.25 118.48 2dxb h VAL 142 Ca 0.24 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 2dxb h VAL 142 Cb -0.00 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2dxb h VAL 142 CO -0.09 0.52 -0.12 0.00 0.02 0.00 0.00 177.57 177.90 2dxb h ALA 143 N 0.63 1.61 -0.49 1.67 0.00 -0.65 -2.16 119.26 119.88 2dxb h ALA 143 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2dxb h ALA 143 Cb 1.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2dxb h ALA 143 CO 0.10 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.37 2dxb n SER 144 N -4.12 4.11 -1.37 0.00 3.41 -0.37 -4.90 113.62 110.39 2dxb n SER 144 Ca -0.02 -2.47 -0.18 0.00 -0.26 0.00 0.00 58.87 55.94 2dxb n SER 144 Cb 0.20 -0.55 -0.08 0.00 -0.26 0.00 0.00 64.21 63.52 2dxb n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dxb n GLY 145 N 0.81 1.76 0.18 5.00 0.00 -0.81 -4.83 105.19 107.28 2dxb n GLY 145 Ca 0.21 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.22 2dxb n GLY 145 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dxb n GLN 146 N -2.44 1.24 -0.49 1.61 7.27 -0.40 -4.54 117.38 119.64 2dxb n GLN 146 Ca -0.18 -0.36 0.06 0.00 0.07 0.00 0.00 57.00 56.60 2dxb n GLN 146 Cb 0.59 -1.48 -0.02 0.00 2.41 0.00 0.00 30.24 31.75 2dxb n GLN 146 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2dxb n GLY 147 N 1.05 -1.91 2.71 1.69 0.00 -1.21 -4.51 105.19 103.02 2dxb n GLY 147 Ca 0.21 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.66 2dxb n GLY 147 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dxb s LEU 148 N -4.96 0.09 0.00 0.99 2.96 0.65 -4.20 118.68 114.21 2dxb s LEU 148 Ca 0.00 -1.59 0.00 0.00 -0.22 0.00 0.00 54.13 52.32 2dxb s LEU 148 Cb 0.00 0.39 0.00 0.00 0.50 0.00 0.00 46.19 47.08 2dxb s LEU 148 CO 0.00 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 2dxb n GLY 149 N 4.34 2.04 1.81 7.98 0.00 -1.26 -1.38 105.19 118.72 2dxb n GLY 149 Ca 0.10 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.79 2dxb n GLY 149 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dxb n GLU 150 N 12.93 4.09 -0.01 1.61 2.13 -1.26 -3.79 120.64 136.35 2dxb n GLU 150 Ca 0.00 -2.79 -0.18 0.00 0.66 0.00 0.00 57.16 54.86 2dxb n GLU 150 Cb 0.00 -2.17 -0.14 0.00 0.27 0.00 0.00 31.44 29.41 2dxb n GLU 150 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2dxb n TYR 151 N 0.30 1.15 -3.67 4.31 4.02 -0.48 -4.88 117.16 117.91 2dxb n TYR 151 Ca 0.30 0.28 -0.15 0.00 -0.01 0.00 0.00 57.90 58.32 2dxb n TYR 151 Cb 1.17 -1.17 -0.14 0.00 -0.02 0.00 0.00 39.34 39.19 2dxb n TYR 151 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2dxb s LEU 152 N -6.75 -0.17 0.41 7.72 2.96 -0.87 -4.96 118.68 117.02 2dxb s LEU 152 Ca -0.18 0.50 -0.23 0.00 -0.22 0.00 0.00 54.13 54.00 2dxb s LEU 152 Cb 0.07 0.55 -0.09 0.00 0.50 0.00 0.00 46.19 47.22 2dxb s LEU 152 CO 0.78 -0.24 1.01 -2.16 -1.32 0.00 0.00 176.35 174.42 2dxb s PRO 153 N 2.30 4.18 0.00 0.98 0.04 -1.26 -0.26 135.00 140.98 2dxb s PRO 153 Ca 0.01 1.36 0.11 0.00 0.04 0.00 0.00 61.00 62.53 2dxb s PRO 153 Cb -0.12 -2.42 0.66 0.00 0.04 0.00 0.00 34.50 32.66 2dxb s PRO 153 CO -0.07 -0.10 1.10 -0.35 0.04 0.00 0.00 177.00 177.61