#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxb s VAL 9 N 0.00 3.93 -0.21 0.52 1.01 -1.26 -5.10 120.40 119.30 2dxb s VAL 9 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 2dxb s VAL 9 Cb 0.00 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2dxb s VAL 9 CO 0.00 0.54 0.11 0.26 0.00 0.00 0.00 175.10 176.01 2dxb s TRP 10 N -0.11 3.33 -0.63 5.22 0.52 -1.26 -5.04 118.94 120.97 2dxb s TRP 10 Ca 0.02 0.20 -0.28 0.00 0.02 0.00 0.00 56.10 56.06 2dxb s TRP 10 Cb -0.13 -2.16 0.02 0.00 -1.15 0.00 0.00 33.47 30.05 2dxb s TRP 10 CO 0.02 0.17 1.31 0.34 0.02 0.00 0.00 176.95 178.81 2dxb s ASP 11 N 0.57 6.22 0.00 2.95 -1.08 -1.26 -4.87 116.67 119.19 2dxb s ASP 11 Ca 0.06 -0.04 0.21 0.00 -0.52 0.00 0.00 52.55 52.26 2dxb s ASP 11 Cb -0.12 -2.55 0.67 0.00 -1.46 0.00 0.00 42.92 39.45 2dxb s ASP 11 CO 0.00 -1.71 1.51 0.54 0.52 0.00 0.00 175.17 176.04 2dxb n ARG 12 N 8.87 1.89 -0.00 4.34 1.74 -1.26 -4.10 116.66 128.13 2dxb n ARG 12 Ca 0.08 -1.33 0.05 0.00 -0.77 0.00 0.00 57.85 55.87 2dxb n ARG 12 Cb 0.49 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 2dxb n ARG 12 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dxb n THR 13 N 0.56 0.00 -0.03 0.55 -2.24 -1.26 -4.75 114.28 107.12 2dxb n THR 13 Ca 0.17 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.60 2dxb n THR 13 Cb 0.38 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 2dxb n THR 13 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2dxb h HIS 14 N 0.00 -0.81 -0.30 4.78 -0.00 -2.00 -1.02 115.15 115.80 2dxb h HIS 14 Ca 0.00 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.42 2dxb h HIS 14 Cb 0.32 0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 28.10 2dxb h HIS 14 CO 0.00 -0.37 0.19 1.25 -0.00 0.00 0.00 177.93 179.00 2dxb h HIS 15 N -0.33 0.36 -0.74 5.26 6.17 -1.87 -2.06 115.15 121.93 2dxb h HIS 15 Ca 0.12 0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.15 2dxb h HIS 15 Cb 0.52 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 30.30 2dxb h HIS 15 CO -0.42 0.22 0.23 0.00 0.71 0.00 0.00 177.93 178.68 2dxb h ALA 16 N 1.12 1.01 -0.13 5.26 0.00 -1.82 0.08 119.26 124.77 2dxb h ALA 16 Ca 0.11 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2dxb h ALA 16 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2dxb h ALA 16 CO -0.03 0.66 -0.29 0.87 0.00 0.00 0.00 179.25 180.46 2dxb h LYS 17 N 1.11 0.24 0.25 0.00 1.57 -1.04 -1.56 116.57 117.12 2dxb h LYS 17 Ca 0.24 -0.09 -0.34 0.00 -1.87 0.00 0.00 60.65 58.60 2dxb h LYS 17 Cb 0.30 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.63 2dxb h LYS 17 CO -0.01 0.51 -1.52 1.98 -0.57 0.00 0.00 179.45 179.85 2dxb h MET 18 N 0.21 0.52 0.00 3.15 4.05 -0.97 -3.39 114.93 118.50 2dxb h MET 18 Ca 0.03 -0.89 0.00 0.00 -0.28 0.00 0.00 59.70 58.56 2dxb h MET 18 Cb 0.62 0.33 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 2dxb h MET 18 CO 0.05 1.42 -1.53 0.00 0.23 0.00 0.00 176.91 177.08 2dxb n ALA 19 N -2.73 3.54 -1.66 0.39 0.00 -0.02 -4.85 120.51 115.18 2dxb n ALA 19 Ca -0.18 -0.53 -0.48 0.00 0.00 0.00 0.00 53.44 52.26 2dxb n ALA 19 Cb 1.10 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 19.72 2dxb n ALA 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dxb n THR 20 N -1.97 0.05 -0.59 0.00 -1.04 -0.59 -0.09 114.28 110.04 2dxb n THR 20 Ca -0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2dxb n THR 20 Cb 0.47 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 2dxb n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dxb n GLY 21 N 3.33 1.19 0.87 3.41 0.00 -1.26 -4.74 105.19 107.99 2dxb n GLY 21 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 2dxb n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dxb n ILE 22 N -2.00 0.37 0.00 -0.61 5.41 0.51 -5.16 119.36 117.87 2dxb n ILE 22 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2dxb n ILE 22 Cb 0.00 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.35 2dxb n ILE 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2dxb n GLY 23 N 2.78 1.86 3.06 7.39 0.00 0.87 -4.69 105.19 116.46 2dxb n GLY 23 Ca -0.08 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.67 2dxb n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dxb s ASP 24 N 0.00 2.02 0.00 1.61 -1.08 -1.26 -0.64 116.67 117.32 2dxb s ASP 24 Ca 0.00 -0.35 0.14 0.00 -0.52 0.00 0.00 52.55 51.82 2dxb s ASP 24 Cb 0.00 -0.93 0.70 0.00 -1.46 0.00 0.00 42.92 41.23 2dxb s ASP 24 CO 0.00 0.05 1.47 -0.81 0.52 0.00 0.00 175.17 176.40 2dxb n PRO 25 N 3.78 1.20 -0.12 4.34 -0.04 -1.26 -4.94 135.00 137.96 2dxb n PRO 25 Ca -0.22 -0.31 0.24 0.00 -0.04 0.00 0.00 63.50 63.17 2dxb n PRO 25 Cb 0.52 -1.24 0.69 0.00 -0.04 0.00 0.00 33.50 33.43 2dxb n PRO 25 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2dxb h GLN 26 N 0.58 0.05 0.00 0.54 7.50 -1.83 0.23 115.11 122.19 2dxb h GLN 26 Ca 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2dxb h GLN 26 Cb 0.13 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.65 2dxb h GLN 26 CO 0.00 0.03 0.00 0.00 -1.50 0.00 0.00 178.83 177.36 2dxb n PHE 28 N -1.97 0.10 -1.63 0.00 3.72 0.07 -5.01 117.46 112.75 2dxb n PHE 28 Ca 0.02 -0.06 -0.48 0.00 -0.05 0.00 0.00 57.45 56.88 2dxb n PHE 28 Cb 0.17 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.66 2dxb n PHE 28 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2dxb n LYS 29 N 1.21 1.64 0.00 -1.08 4.81 -0.85 -1.74 118.16 122.16 2dxb n LYS 29 Ca 0.13 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 2dxb n LYS 29 Cb 0.53 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.31 2dxb n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dxb n GLY 30 N 2.78 2.56 0.01 3.14 0.00 -1.26 -4.90 105.19 107.53 2dxb n GLY 30 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2dxb n GLY 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dxb n MET 31 N -2.00 0.02 0.04 1.61 2.81 -0.71 -3.23 117.12 115.66 2dxb n MET 31 Ca 0.00 0.11 0.12 0.00 -1.81 0.00 0.00 57.70 56.12 2dxb n MET 31 Cb 0.00 -1.53 0.10 0.00 -0.71 0.00 0.00 33.22 31.08 2dxb n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dxb n ALA 32 N -1.53 3.26 -0.07 3.04 0.00 -1.26 -4.56 120.51 119.39 2dxb n ALA 32 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2dxb n ALA 32 Cb 0.28 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2dxb n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dxb n GLY 33 N 1.37 -0.30 3.73 0.00 0.00 -1.20 -4.81 105.19 103.99 2dxb n GLY 33 Ca 0.03 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 2dxb n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dxb s LYS 34 N 0.00 4.55 0.36 1.61 2.20 -1.26 -5.00 119.74 122.20 2dxb s LYS 34 Ca 0.00 1.74 -0.26 0.00 -0.36 0.00 0.00 55.97 57.09 2dxb s LYS 34 Cb 0.00 -3.29 -0.09 0.00 -1.51 0.00 0.00 37.83 32.94 2dxb s LYS 34 CO 0.00 -0.02 1.14 -1.54 -0.36 0.00 0.00 175.35 174.57 2dxb s SER 35 N 0.19 6.79 0.32 1.43 1.04 -1.26 -4.93 113.70 117.28 2dxb s SER 35 Ca 0.52 2.30 0.17 0.00 0.48 0.00 0.00 55.95 59.41 2dxb s SER 35 Cb -0.30 -2.62 0.27 0.00 0.10 0.00 0.00 66.02 63.48 2dxb s SER 35 CO 0.34 -0.48 1.54 0.50 0.98 0.00 0.00 173.24 176.12 2dxb h LYS 36 N 3.00 0.00 -5.25 4.02 3.64 -1.97 -3.46 116.57 116.55 2dxb h LYS 36 Ca -0.48 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.40 2dxb h LYS 36 Cb 1.22 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.91 2dxb h LYS 36 CO 0.64 0.43 -0.60 -0.06 -2.27 0.00 0.00 179.45 177.59 2dxb s PHE 37 N -3.15 2.00 0.14 1.91 0.08 -1.26 -5.13 117.98 112.57 2dxb s PHE 37 Ca 0.03 -0.96 -0.03 0.00 0.12 0.00 0.00 56.93 56.10 2dxb s PHE 37 Cb 0.08 -1.33 -0.03 0.00 -0.57 0.00 0.00 43.02 41.17 2dxb s PHE 37 CO 0.72 0.03 0.10 -0.80 -0.10 0.00 0.00 175.22 175.17 2dxb s ASN 38 N -3.53 0.25 0.26 1.36 -0.87 -1.26 -5.07 114.94 106.07 2dxb s ASN 38 Ca 0.34 -1.15 -0.30 0.00 -1.57 0.00 0.00 52.86 50.18 2dxb s ASN 38 Cb 0.08 0.33 -0.13 0.00 -0.02 0.00 0.00 41.25 41.50 2dxb s ASN 38 CO 0.15 -0.77 1.31 0.52 -2.57 0.00 0.00 177.10 175.75 2dxb n VAL 39 N -0.13 1.25 0.00 1.60 0.31 -1.26 -1.89 118.33 118.22 2dxb n VAL 39 Ca -0.05 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 2dxb n VAL 39 Cb 0.64 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 2dxb n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dxb n GLY 40 N 1.77 3.00 3.74 2.92 0.00 0.97 -5.00 105.19 112.60 2dxb n GLY 40 Ca 0.10 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2dxb n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dxb n ASP 41 N 0.05 2.82 -4.69 1.61 8.00 -0.79 -4.62 116.55 118.94 2dxb n ASP 41 Ca 0.00 1.02 -0.37 0.00 0.71 0.00 0.00 54.79 56.15 2dxb n ASP 41 Cb 0.00 -1.58 -0.08 0.00 -0.02 0.00 0.00 41.12 39.44 2dxb n ASP 41 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2dxb s ARG 42 N -2.73 4.15 0.07 -1.24 1.81 -1.26 -1.23 118.95 118.53 2dxb s ARG 42 Ca 0.68 -0.07 0.05 0.00 -1.72 0.00 0.00 55.73 54.67 2dxb s ARG 42 Cb -0.43 -3.50 -0.03 0.00 -0.45 0.00 0.00 34.95 30.54 2dxb s ARG 42 CO 0.52 0.11 -0.14 0.14 -0.68 0.00 0.00 175.30 175.25 2dxb s VAL 43 N 0.90 1.09 -0.01 3.52 -7.23 -0.11 -0.83 120.40 117.74 2dxb s VAL 43 Ca 0.12 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2dxb s VAL 43 Cb -0.13 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 2dxb s VAL 43 CO 0.04 -0.25 0.05 -0.60 -0.31 0.00 0.00 175.10 174.03 2dxb s ARG 44 N -1.82 2.97 -0.32 4.82 3.52 -0.10 -0.54 118.95 127.49 2dxb s ARG 44 Ca -0.01 -0.52 -0.21 0.00 -0.13 0.00 0.00 55.73 54.85 2dxb s ARG 44 Cb -0.09 -2.80 -0.00 0.00 -1.56 0.00 0.00 34.95 30.49 2dxb s ARG 44 CO 0.02 0.64 0.66 0.42 -0.81 0.00 0.00 175.30 176.23 2dxb s ILE 45 N -1.15 4.90 0.38 4.11 -1.09 -0.11 -2.65 121.20 125.58 2dxb s ILE 45 Ca 0.22 0.85 -0.26 0.00 -2.23 0.00 0.00 60.65 59.22 2dxb s ILE 45 Cb -0.12 -4.04 -0.09 0.00 -1.58 0.00 0.00 42.46 36.63 2dxb s ILE 45 CO 0.12 -0.20 1.18 -0.54 -1.23 0.00 0.00 174.94 174.27 2dxb s LYS 46 N 2.70 4.17 -1.22 2.79 1.02 0.77 -0.31 119.74 129.66 2dxb s LYS 46 Ca 0.26 1.89 -0.08 0.00 0.02 0.00 0.00 55.97 58.07 2dxb s LYS 46 Cb -0.15 -2.80 0.21 0.00 -0.52 0.00 0.00 37.83 34.58 2dxb s LYS 46 CO 0.13 -0.23 1.77 -3.47 -0.92 0.00 0.00 175.35 172.62 2dxb n ASP 47 N 0.32 5.53 -4.77 2.83 2.03 -1.26 -4.72 116.55 116.50 2dxb n ASP 47 Ca 0.03 -3.21 -0.36 0.00 0.52 0.00 0.00 54.79 51.78 2dxb n ASP 47 Cb 0.46 -1.41 -0.00 0.00 -0.72 0.00 0.00 41.12 39.44 2dxb n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dxb s LEU 48 N -1.00 3.83 0.21 -2.67 1.43 -1.26 -4.94 118.68 114.29 2dxb s LEU 48 Ca 0.37 2.21 -0.32 0.00 -1.03 0.00 0.00 54.13 55.36 2dxb s LEU 48 Cb 0.08 -4.48 -0.14 0.00 0.03 0.00 0.00 46.19 41.68 2dxb s LEU 48 CO 0.04 -1.13 1.39 -2.65 0.23 0.00 0.00 176.35 174.22 2dxb n PRO 49 N -1.06 1.87 -0.40 1.29 -0.02 -1.26 -4.88 135.00 130.54 2dxb n PRO 49 Ca 0.10 0.67 0.08 0.00 -2.02 0.00 0.00 63.50 62.33 2dxb n PRO 49 Cb 0.50 -2.31 0.25 0.00 -0.02 0.00 0.00 33.50 31.92 2dxb n PRO 49 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2dxb n ASP 50 N 2.30 3.81 -4.59 2.55 5.68 -1.26 -5.01 116.55 120.03 2dxb n ASP 50 Ca 0.13 -2.51 -0.52 0.00 -0.50 0.00 0.00 54.79 51.40 2dxb n ASP 50 Cb 0.29 -0.44 -0.06 0.00 -1.14 0.00 0.00 41.12 39.77 2dxb n ASP 50 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2dxb n LEU 51 N 0.29 1.67 0.00 -2.12 7.94 -1.26 -2.74 117.00 120.78 2dxb n LEU 51 Ca 0.19 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.21 2dxb n LEU 51 Cb 0.73 -1.20 0.00 0.00 0.53 0.00 0.00 43.42 43.48 2dxb n LEU 51 CO 0.15 -1.05 0.00 0.49 -1.11 0.00 0.00 177.39 175.87 2dxb n PHE 52 N 2.45 0.00 -3.60 1.96 3.72 -1.26 -4.84 117.46 115.89 2dxb n PHE 52 Ca 0.18 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.48 2dxb n PHE 52 Cb 0.20 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.68 2dxb n PHE 52 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2dxb s TYR 53 N 0.00 -0.42 -0.18 1.38 5.04 -1.11 -5.16 117.35 116.90 2dxb s TYR 53 Ca 0.00 0.85 -0.30 0.00 -2.44 0.00 0.00 57.07 55.18 2dxb s TYR 53 Cb 0.00 0.41 0.14 0.00 0.35 0.00 0.00 41.96 42.86 2dxb s TYR 53 CO 0.00 -0.30 1.07 -0.08 -1.34 0.00 0.00 175.55 174.89 2dxb s THR 54 N -0.58 0.00 -0.13 4.34 -1.32 -1.26 -4.84 115.64 111.85 2dxb s THR 54 Ca -0.00 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.66 2dxb s THR 54 Cb -0.02 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.25 2dxb s THR 54 CO -0.01 0.00 1.15 0.54 -2.21 0.00 0.00 174.62 174.08 2dxb n ARG 55 N 0.66 1.23 -3.62 7.08 1.74 -1.26 -4.89 116.66 117.60 2dxb n ARG 55 Ca -0.08 -2.53 -0.39 0.00 -0.77 0.00 0.00 57.85 54.07 2dxb n ARG 55 Cb 0.58 -1.45 -0.09 0.00 -1.02 0.00 0.00 32.46 30.48 2dxb n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dxb s THR 56 N -2.75 4.00 0.24 0.55 2.01 -1.26 -5.00 115.64 113.43 2dxb s THR 56 Ca 0.31 -2.06 -0.29 0.00 0.31 0.00 0.00 61.69 59.96 2dxb s THR 56 Cb 0.27 -3.64 -0.15 0.00 0.01 0.00 0.00 72.50 68.98 2dxb s THR 56 CO 0.02 -0.79 0.86 0.23 -0.69 0.00 0.00 174.62 174.26 2dxb n MET 57 N 4.57 0.86 -0.16 4.92 2.81 -1.26 -4.87 117.12 123.99 2dxb n MET 57 Ca -0.03 0.30 0.07 0.00 -1.81 0.00 0.00 57.70 56.23 2dxb n MET 57 Cb 0.41 -1.56 0.37 0.00 -0.71 0.00 0.00 33.22 31.73 2dxb n MET 57 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2dxb h THR 58 N 1.73 1.02 0.00 2.03 2.02 -1.99 -1.78 112.91 115.95 2dxb h THR 58 Ca -0.36 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2dxb h THR 58 Cb 1.38 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2dxb h THR 58 CO 0.60 0.13 0.00 0.10 0.37 0.00 0.00 175.52 176.72 2dxb h TYR 59 N 0.71 0.00 0.00 3.16 -0.00 -2.01 -2.02 116.97 116.81 2dxb h TYR 59 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.02 2dxb h TYR 59 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.97 2dxb h TYR 59 CO -0.00 0.00 -1.03 0.25 -0.00 0.00 0.00 178.16 177.38 2dxb n THR 60 N -2.42 0.12 -1.68 -0.90 -2.24 -0.67 -4.89 114.28 101.60 2dxb n THR 60 Ca -0.00 -0.20 -0.45 0.00 -2.27 0.00 0.00 64.05 61.13 2dxb n THR 60 Cb 0.12 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 2dxb n THR 60 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dxb n ARG 61 N -1.86 2.37 -0.83 -0.78 5.12 -0.76 -1.72 116.66 118.19 2dxb n ARG 61 Ca 0.02 0.86 0.00 0.00 -1.93 0.00 0.00 57.85 56.80 2dxb n ARG 61 Cb 0.42 -2.67 0.00 0.00 -1.16 0.00 0.00 32.46 29.05 2dxb n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dxb n GLY 62 N 3.80 1.17 3.89 -0.13 0.00 0.58 -4.98 105.19 109.52 2dxb n GLY 62 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2dxb n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dxb s ALA 63 N -3.63 3.41 -0.10 4.61 0.00 -0.70 -4.68 121.76 120.67 2dxb s ALA 63 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.58 2dxb s ALA 63 Cb 0.00 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 2dxb s ALA 63 CO 0.00 -0.09 -0.07 0.99 0.00 0.00 0.00 175.76 176.59 2dxb s THR 64 N -2.46 3.66 0.27 0.00 2.01 -1.26 -0.93 115.64 116.93 2dxb s THR 64 Ca 0.49 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.06 2dxb s THR 64 Cb -0.10 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 2dxb s THR 64 CO 0.36 0.56 0.27 0.61 -0.69 0.00 0.00 174.62 175.73 2dxb n GLY 65 N 2.73 2.93 3.35 4.40 0.00 0.30 -4.66 105.19 114.24 2dxb n GLY 65 Ca -0.18 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 2dxb n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dxb s THR 66 N -2.99 2.75 -0.03 2.61 2.01 -0.11 -0.93 115.64 118.94 2dxb s THR 66 Ca 0.30 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 2dxb s THR 66 Cb 0.01 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 2dxb s THR 66 CO 0.21 0.55 1.37 -0.63 -0.69 0.00 0.00 174.62 175.43 2dxb s ILE 67 N 0.10 3.84 -0.38 1.82 -1.09 -0.36 -1.16 121.20 123.96 2dxb s ILE 67 Ca -0.08 1.18 0.05 0.00 -2.23 0.00 0.00 60.65 59.58 2dxb s ILE 67 Cb -0.15 -3.76 -0.02 0.00 -1.58 0.00 0.00 42.46 36.95 2dxb s ILE 67 CO 0.05 -0.02 0.36 1.33 -1.23 0.00 0.00 174.94 175.44 2dxb n VAL 68 N 4.76 0.00 -3.64 2.92 0.24 -0.38 -0.02 118.33 122.20 2dxb n VAL 68 Ca 0.13 -0.42 -0.04 0.00 -2.04 0.00 0.00 64.34 61.97 2dxb n VAL 68 Cb 0.44 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.78 2dxb n VAL 68 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2dxb s ARG 69 N -1.14 0.23 -0.54 7.34 3.52 -1.22 -4.91 118.95 122.23 2dxb s ARG 69 Ca 0.03 0.30 -0.19 0.00 -0.13 0.00 0.00 55.73 55.74 2dxb s ARG 69 Cb 0.04 0.10 0.08 0.00 -1.56 0.00 0.00 34.95 33.61 2dxb s ARG 69 CO 0.16 -0.03 0.65 -0.51 -0.81 0.00 0.00 175.30 174.76 2dxb s LEU 70 N 0.31 5.14 0.10 -0.88 1.02 -1.26 -0.75 118.68 122.36 2dxb s LEU 70 Ca 0.03 -1.12 -0.13 0.00 0.02 0.00 0.00 54.13 52.93 2dxb s LEU 70 Cb -0.05 -2.39 -0.14 0.00 0.02 0.00 0.00 46.19 43.64 2dxb s LEU 70 CO -0.12 -0.97 1.32 -0.37 0.02 0.00 0.00 176.35 176.23 2dxb h VAL 71 N 5.88 1.28 0.00 -1.59 -1.51 -1.80 -3.49 116.25 115.03 2dxb h VAL 71 Ca -0.28 -1.89 0.00 0.00 -1.23 0.00 0.00 66.70 63.30 2dxb h VAL 71 Cb 1.09 1.91 0.00 0.00 -2.13 0.00 0.00 31.29 32.16 2dxb h VAL 71 CO 1.01 0.60 0.00 0.00 -1.23 0.00 0.00 177.57 177.96 2dxb n TYR 72 N -3.99 0.00 -4.80 5.19 0.18 -1.25 -5.04 117.16 107.45 2dxb n TYR 72 Ca -0.07 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.40 2dxb n TYR 72 Cb 0.70 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.53 2dxb n TYR 72 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2dxb s GLU 73 N -1.72 2.12 -0.21 -3.48 2.02 -1.26 -1.32 118.70 114.86 2dxb s GLU 73 Ca 0.00 -0.94 -0.35 0.00 0.02 0.00 0.00 54.97 53.70 2dxb s GLU 73 Cb 0.00 -2.18 0.14 0.00 0.10 0.00 0.00 34.13 32.19 2dxb s GLU 73 CO 0.00 0.55 1.23 0.45 0.02 0.00 0.00 175.26 177.52 2dxb s SER 74 N -1.20 -0.12 0.62 -0.19 0.15 -0.65 -4.56 113.70 107.74 2dxb s SER 74 Ca 0.13 0.01 -0.18 0.00 0.70 0.00 0.00 55.95 56.62 2dxb s SER 74 Cb -0.10 0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.31 2dxb s SER 74 CO 0.03 -0.20 1.17 -2.84 1.20 0.00 0.00 173.24 172.61 2dxb s PRO 75 N -2.28 2.89 0.60 5.44 0.02 -1.26 -1.57 135.00 138.84 2dxb s PRO 75 Ca 0.09 1.69 -0.18 0.00 0.02 0.00 0.00 61.00 62.62 2dxb s PRO 75 Cb -0.01 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 2dxb s PRO 75 CO -0.04 -1.24 1.16 0.00 -0.33 0.00 0.00 177.00 176.55 2dxb s ALA 76 N -1.83 2.54 0.41 -1.55 0.00 -1.26 -4.78 121.76 115.28 2dxb s ALA 76 Ca 0.74 0.85 0.09 0.00 0.00 0.00 0.00 51.96 53.64 2dxb s ALA 76 Cb -0.27 -3.40 0.86 0.00 0.00 0.00 0.00 23.12 20.31 2dxb s ALA 76 CO 0.35 -1.12 1.99 0.00 0.00 0.00 0.00 175.76 176.98 2dxb h ALA 77 N 0.72 1.62 -0.32 0.00 0.00 -1.98 -0.13 119.26 119.17 2dxb h ALA 77 Ca -0.49 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.38 2dxb h ALA 77 Cb 1.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2dxb h ALA 77 CO 0.55 0.28 0.23 0.93 0.00 0.00 0.00 179.25 181.24 2dxb h GLU 78 N 0.31 0.04 0.03 0.00 3.07 -1.90 0.54 114.58 116.68 2dxb h GLU 78 Ca 0.07 -0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.55 2dxb h GLU 78 Cb 0.19 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.04 2dxb h GLU 78 CO 0.00 0.03 -2.19 -0.25 -1.40 0.00 0.00 179.01 175.20 2dxb n ASP 79 N -4.45 1.99 -0.12 1.42 8.00 -0.56 -4.42 116.55 118.42 2dxb n ASP 79 Ca 0.05 0.15 0.01 0.00 0.71 0.00 0.00 54.79 55.70 2dxb n ASP 79 Cb 0.37 -0.71 0.29 0.00 -0.02 0.00 0.00 41.12 41.05 2dxb n ASP 79 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2dxb h GLU 80 N -0.38 0.78 0.00 -1.24 4.81 -0.90 0.22 114.58 117.87 2dxb h GLU 80 Ca -0.54 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 2dxb h GLU 80 Cb 1.77 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.99 2dxb h GLU 80 CO -0.15 0.58 0.00 0.00 -0.73 0.00 0.00 179.01 178.71 2dxb n ALA 81 N -2.45 1.51 -1.27 2.92 0.00 0.17 -1.96 120.51 119.43 2dxb n ALA 81 Ca 0.05 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.53 2dxb n ALA 81 Cb 0.10 -1.17 0.12 0.00 0.00 0.00 0.00 19.45 18.50 2dxb n ALA 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2dxb n PHE 82 N -1.45 0.00 -1.56 0.00 3.72 -0.62 -4.99 117.46 112.57 2dxb n PHE 82 Ca 0.03 -0.86 -0.07 0.00 -0.05 0.00 0.00 57.45 56.49 2dxb n PHE 82 Cb 0.11 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 38.49 2dxb n PHE 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dxb n GLY 83 N -1.16 0.63 3.10 1.37 0.00 -0.83 -5.01 105.19 103.29 2dxb n GLY 83 Ca 0.13 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 2dxb n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dxb s ASN 84 N -2.83 5.19 -0.02 1.61 0.02 -0.03 -4.93 114.94 113.96 2dxb s ASN 84 Ca 0.00 -2.30 0.11 0.00 -1.02 0.00 0.00 52.86 49.65 2dxb s ASN 84 Cb 0.00 -1.82 0.34 0.00 0.02 0.00 0.00 41.25 39.79 2dxb s ASN 84 CO 0.00 -0.48 1.28 -0.62 0.02 0.00 0.00 177.10 177.30 2dxb n GLU 85 N 4.22 2.89 0.22 -0.60 1.02 -1.26 -3.28 120.64 123.85 2dxb n GLU 85 Ca 0.01 -2.15 0.06 0.00 -0.02 0.00 0.00 57.16 55.05 2dxb n GLU 85 Cb 0.40 -1.34 0.49 0.00 -0.02 0.00 0.00 31.44 30.97 2dxb n GLU 85 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2dxb h GLU 86 N 2.01 0.00 -5.24 3.49 9.09 -1.97 -3.42 114.58 118.54 2dxb h GLU 86 Ca 0.00 0.00 -0.63 0.00 0.05 0.00 0.00 59.36 58.78 2dxb h GLU 86 Cb 0.82 0.00 -0.20 0.00 -1.65 0.00 0.00 28.75 27.72 2dxb h GLU 86 CO 0.03 0.23 -0.63 -0.80 0.05 0.00 0.00 179.01 177.89 2dxb s ASN 87 N -6.85 5.09 -0.03 3.06 0.01 -1.26 -5.10 114.94 109.87 2dxb s ASN 87 Ca -0.03 -0.08 0.06 0.00 -0.71 0.00 0.00 52.86 52.10 2dxb s ASN 87 Cb 0.15 -1.86 -0.02 0.00 0.41 0.00 0.00 41.25 39.93 2dxb s ASN 87 CO 0.69 0.14 -0.21 -0.69 -1.51 0.00 0.00 177.10 175.52 2dxb s VAL 88 N 0.55 2.52 0.13 1.60 1.01 -1.26 -4.09 120.40 120.85 2dxb s VAL 88 Ca -0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 2dxb s VAL 88 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2dxb s VAL 88 CO 0.02 0.58 0.04 -1.83 0.00 0.00 0.00 175.10 173.90 2dxb s GLU 89 N -0.69 0.94 0.33 2.72 -1.05 -0.61 -4.22 118.70 116.12 2dxb s GLU 89 Ca 0.11 -1.44 -0.27 0.00 -0.15 0.00 0.00 54.97 53.22 2dxb s GLU 89 Cb -0.10 0.12 -0.09 0.00 -0.44 0.00 0.00 34.13 33.61 2dxb s GLU 89 CO -0.00 -0.22 1.06 -1.58 0.95 0.00 0.00 175.26 175.47 2dxb s TRP 90 N -3.94 3.47 -0.05 4.83 0.52 -1.26 -1.63 118.94 120.87 2dxb s TRP 90 Ca 0.22 1.70 0.02 0.00 0.02 0.00 0.00 56.10 58.06 2dxb s TRP 90 Cb 0.07 -3.17 -0.03 0.00 -1.15 0.00 0.00 33.47 29.19 2dxb s TRP 90 CO 0.01 -0.47 -0.10 -0.06 0.02 0.00 0.00 176.95 176.35 2dxb s PHE 91 N -1.41 2.83 0.01 -1.98 0.40 -0.43 -0.72 117.98 116.67 2dxb s PHE 91 Ca 0.51 -0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.85 2dxb s PHE 91 Cb -0.26 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 2dxb s PHE 91 CO 0.33 0.27 -0.22 0.71 0.70 0.00 0.00 175.22 177.01 2dxb s TYR 92 N -0.79 1.98 -0.24 0.36 2.02 -0.34 -2.21 117.35 118.13 2dxb s TYR 92 Ca 0.12 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.29 2dxb s TYR 92 Cb -0.11 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 2dxb s TYR 92 CO 0.01 0.02 0.41 0.45 -1.57 0.00 0.00 175.55 174.88 2dxb s SER 93 N -0.80 6.36 -0.03 2.29 0.15 0.07 -0.66 113.70 121.07 2dxb s SER 93 Ca 0.09 0.42 0.07 0.00 0.70 0.00 0.00 55.95 57.22 2dxb s SER 93 Cb -0.09 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 61.97 2dxb s SER 93 CO 0.00 -0.16 -0.23 -0.63 1.20 0.00 0.00 173.24 173.43 2dxb s ILE 94 N 1.82 2.34 -0.15 6.45 1.01 0.55 -1.25 121.20 131.97 2dxb s ILE 94 Ca 0.18 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 2dxb s ILE 94 Cb -0.15 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 2dxb s ILE 94 CO 0.09 0.58 -0.03 -0.69 0.00 0.00 0.00 174.94 174.89 2dxb s VAL 95 N -0.59 3.94 0.09 2.92 1.01 -0.31 -1.63 120.40 125.83 2dxb s VAL 95 Ca 0.09 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.82 2dxb s VAL 95 Cb -0.11 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2dxb s VAL 95 CO -0.00 0.50 -0.20 -0.36 0.00 0.00 0.00 175.10 175.03 2dxb s PHE 96 N 0.31 2.48 0.03 5.22 0.08 0.26 -0.94 117.98 125.42 2dxb s PHE 96 Ca -0.03 -0.30 -0.27 0.00 0.12 0.00 0.00 56.93 56.45 2dxb s PHE 96 Cb -0.14 -1.36 -0.05 0.00 -0.57 0.00 0.00 43.02 40.90 2dxb s PHE 96 CO 0.03 0.32 0.85 0.00 -0.10 0.00 0.00 175.22 176.32 2dxb s ALA 97 N -1.04 3.28 0.42 5.36 0.00 -1.26 -1.13 121.76 127.38 2dxb s ALA 97 Ca 0.16 0.39 0.15 0.00 0.00 0.00 0.00 51.96 52.65 2dxb s ALA 97 Cb -0.10 -3.14 1.02 0.00 0.00 0.00 0.00 23.12 20.89 2dxb s ALA 97 CO 0.07 -0.06 1.91 1.96 0.00 0.00 0.00 175.76 179.65 2dxb h GLN 98 N 6.14 0.44 0.00 0.00 1.08 -1.51 -0.25 115.11 121.01 2dxb h GLN 98 Ca -0.42 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 56.72 2dxb h GLN 98 Cb 1.21 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2dxb h GLN 98 CO 0.73 0.29 -0.14 1.57 -0.95 0.00 0.00 178.83 180.33 2dxb h LYS 99 N 0.45 0.00 0.00 1.46 2.10 -1.81 -0.61 116.57 118.16 2dxb h LYS 99 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 2dxb h LYS 99 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 2dxb h LYS 99 CO -0.13 0.14 -0.08 -0.25 -2.00 0.00 0.00 179.45 177.13 2dxb n ASP 100 N -3.69 0.40 -0.14 7.07 8.00 -0.11 -4.00 116.55 124.08 2dxb n ASP 100 Ca -0.02 0.44 -0.28 0.00 0.71 0.00 0.00 54.79 55.65 2dxb n ASP 100 Cb 0.26 -0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 40.76 2dxb n ASP 100 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dxb n LEU 101 N -1.83 1.96 -4.32 0.64 4.77 -0.65 -4.89 117.00 112.68 2dxb n LEU 101 Ca 0.06 0.34 -0.38 0.00 -0.03 0.00 0.00 56.01 56.00 2dxb n LEU 101 Cb 0.38 -0.81 -0.12 0.00 -2.33 0.00 0.00 43.42 40.54 2dxb n LEU 101 CO 0.30 0.50 -0.23 0.26 -1.33 0.00 0.00 177.39 176.88 2dxb s TRP 102 N -2.55 3.23 0.38 -1.77 0.52 -0.33 -4.99 118.94 113.43 2dxb s TRP 102 Ca -0.38 -1.19 0.12 0.00 0.02 0.00 0.00 56.10 54.67 2dxb s TRP 102 Cb 0.14 -2.32 0.93 0.00 -1.15 0.00 0.00 33.47 31.07 2dxb s TRP 102 CO 0.48 -0.67 1.85 -1.35 0.02 0.00 0.00 176.95 177.28 2dxb h PRO 103 N 8.28 0.56 -0.01 4.98 0.11 -1.86 -1.72 132.00 142.34 2dxb h PRO 103 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2dxb h PRO 103 Cb 1.10 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2dxb h PRO 103 CO 0.62 0.37 -0.00 -0.85 -0.21 0.00 0.00 178.00 177.93 2dxb n GLU 104 N -4.57 1.25 -1.69 1.05 0.00 -1.26 -4.92 120.64 110.50 2dxb n GLU 104 Ca 0.19 -0.37 -0.44 0.00 0.00 0.00 0.00 57.16 56.54 2dxb n GLU 104 Cb 0.59 -1.49 -0.02 0.00 0.00 0.00 0.00 31.44 30.51 2dxb n GLU 104 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2dxb n TYR 105 N -0.55 2.35 -2.37 -1.84 9.36 -0.65 -4.91 117.16 118.54 2dxb n TYR 105 Ca 0.22 0.37 -0.41 0.00 3.32 0.00 0.00 57.90 61.40 2dxb n TYR 105 Cb 0.20 -2.50 -0.03 0.00 -0.63 0.00 0.00 39.34 36.38 2dxb n TYR 105 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2dxb s SER 106 N 0.40 7.09 0.62 2.98 0.15 -1.26 -4.92 113.70 118.75 2dxb s SER 106 Ca 0.68 2.25 0.37 0.00 0.70 0.00 0.00 55.95 59.95 2dxb s SER 106 Cb -0.61 -2.61 2.03 0.00 -1.71 0.00 0.00 66.02 63.12 2dxb s SER 106 CO 0.48 -0.36 2.27 0.44 1.20 0.00 0.00 173.24 177.27 2dxb h ASP 107 N 5.12 0.00 -0.18 5.45 3.32 -2.00 -1.56 116.42 126.57 2dxb h ASP 107 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2dxb h ASP 107 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2dxb h ASP 107 CO 0.74 0.02 0.12 0.74 -1.72 0.00 0.00 179.24 179.14 2dxb h THR 108 N 0.00 1.04 -0.97 0.35 2.02 -2.02 -2.17 112.91 111.17 2dxb h THR 108 Ca -0.00 -0.08 -0.61 0.00 0.77 0.00 0.00 66.41 66.49 2dxb h THR 108 Cb 0.09 0.78 -0.37 0.00 -1.74 0.00 0.00 68.15 66.91 2dxb h THR 108 CO 0.00 0.04 -0.11 0.49 0.37 0.00 0.00 175.52 176.32 2dxb n PHE 109 N -4.51 2.99 0.16 3.16 3.72 -0.59 -4.81 117.46 117.57 2dxb n PHE 109 Ca -0.00 -2.59 0.08 0.00 -0.05 0.00 0.00 57.45 54.89 2dxb n PHE 109 Cb 0.08 -0.76 0.44 0.00 -0.94 0.00 0.00 39.48 38.30 2dxb n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dxb n ALA 110 N -0.76 0.79 1.14 4.37 0.00 -0.82 -1.86 120.51 123.38 2dxb n ALA 110 Ca 0.51 0.15 0.12 0.00 0.00 0.00 0.00 53.44 54.22 2dxb n ALA 110 Cb 0.79 -1.00 0.19 0.00 0.00 0.00 0.00 19.45 19.44 2dxb n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dxb n ASN 111 N -2.11 1.90 -4.77 0.00 3.02 -1.26 -4.92 115.26 107.12 2dxb n ASN 111 Ca -0.01 -1.46 -0.40 0.00 -0.03 0.00 0.00 54.58 52.68 2dxb n ASN 111 Cb 0.20 0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.57 2dxb n ASN 111 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dxb s ASP 112 N -2.31 6.78 0.33 6.41 1.01 -0.78 -4.96 116.67 123.16 2dxb s ASP 112 Ca 0.25 2.63 0.04 0.00 0.71 0.00 0.00 52.55 56.17 2dxb s ASP 112 Cb 0.19 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 2dxb s ASP 112 CO 0.47 -0.52 0.15 0.42 0.21 0.00 0.00 175.17 175.90 2dxb s THR 113 N -1.16 0.44 -0.03 -1.27 -4.23 -1.26 -1.31 115.64 106.82 2dxb s THR 113 Ca 0.49 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.00 2dxb s THR 113 Cb -0.38 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.00 2dxb s THR 113 CO 0.51 0.00 0.05 -0.22 -0.54 0.00 0.00 174.62 174.42 2dxb s LEU 114 N -3.44 1.06 -0.11 4.79 0.20 -0.29 -4.80 118.68 116.10 2dxb s LEU 114 Ca 0.33 0.09 0.03 0.00 0.69 0.00 0.00 54.13 55.26 2dxb s LEU 114 Cb 0.04 0.02 -0.01 0.00 -0.43 0.00 0.00 46.19 45.81 2dxb s LEU 114 CO 0.17 -0.13 -0.20 -0.70 -0.29 0.00 0.00 176.35 175.21 2dxb s GLU 115 N 1.03 3.14 0.18 1.98 2.12 -1.26 -0.57 118.70 125.31 2dxb s GLU 115 Ca -0.08 -0.80 -0.12 0.00 0.36 0.00 0.00 54.97 54.32 2dxb s GLU 115 Cb -0.12 -2.42 0.01 0.00 0.26 0.00 0.00 34.13 31.85 2dxb s GLU 115 CO -0.03 0.22 0.38 -0.08 -0.54 0.00 0.00 175.26 175.21 2dxb s THR 116 N 0.28 0.05 -0.11 -1.70 -1.32 -0.65 -4.97 115.64 107.22 2dxb s THR 116 Ca -0.14 -1.15 -0.05 0.00 -1.21 0.00 0.00 61.69 59.14 2dxb s THR 116 Cb -0.17 -1.75 -0.04 0.00 -1.51 0.00 0.00 72.50 69.04 2dxb s THR 116 CO 0.07 -0.22 0.08 -1.61 -2.21 0.00 0.00 174.62 170.73 2dxb s GLU 117 N -3.93 3.32 -0.02 7.08 2.02 -1.26 -0.33 118.70 125.58 2dxb s GLU 117 Ca 0.14 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 54.89 2dxb s GLU 117 Cb 0.01 -3.04 0.01 0.00 0.10 0.00 0.00 34.13 31.21 2dxb s GLU 117 CO -0.01 0.70 -0.04 0.42 0.02 0.00 0.00 175.26 176.35 2dxb s ILE 118 N -0.83 0.43 0.47 -1.63 -1.09 0.17 -4.94 121.20 113.78 2dxb s ILE 118 Ca 0.13 -0.13 -0.21 0.00 -2.23 0.00 0.00 60.65 58.21 2dxb s ILE 118 Cb -0.12 -0.43 -0.08 0.00 -1.58 0.00 0.00 42.46 40.25 2dxb s ILE 118 CO 0.03 0.17 1.07 -2.16 -1.23 0.00 0.00 174.94 172.81 2dxb s PRO 119 N 0.49 3.82 0.42 2.79 0.04 -1.26 -1.20 135.00 140.10 2dxb s PRO 119 Ca -0.06 1.47 0.26 0.00 0.04 0.00 0.00 61.00 62.72 2dxb s PRO 119 Cb -0.09 -2.21 1.33 0.00 0.04 0.00 0.00 34.50 33.57 2dxb s PRO 119 CO -0.00 -0.43 1.66 1.49 0.04 0.00 0.00 177.00 179.75 2dxb h GLU 120 N 1.77 0.16 -0.55 4.56 4.81 -1.27 -2.15 114.58 121.91 2dxb h GLU 120 Ca -0.49 -0.01 0.16 0.00 -0.13 0.00 0.00 59.36 58.88 2dxb h GLU 120 Cb 1.23 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2dxb h GLU 120 CO 0.60 0.10 0.39 0.07 -0.73 0.00 0.00 179.01 179.44 2dxb h ARG 121 N 0.16 0.02 -0.01 1.92 0.11 -1.91 -1.40 114.38 113.27 2dxb h ARG 121 Ca 0.76 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.84 2dxb h ARG 121 Cb 2.28 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.36 2dxb h ARG 121 CO -0.41 0.01 -0.02 0.66 0.10 0.00 0.00 179.97 180.31 2dxb n TYR 122 N -4.38 0.00 -3.96 4.08 4.02 -0.81 -4.93 117.16 111.18 2dxb n TYR 122 Ca 0.10 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.67 2dxb n TYR 122 Cb 0.61 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.86 2dxb n TYR 122 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2dxb s LEU 123 N -2.06 4.20 -0.09 7.72 1.43 -0.53 -0.16 118.68 129.18 2dxb s LEU 123 Ca 0.39 0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 53.57 2dxb s LEU 123 Cb 0.21 -2.71 0.03 0.00 0.03 0.00 0.00 46.19 43.75 2dxb s LEU 123 CO 0.36 0.20 0.35 -1.83 0.23 0.00 0.00 176.35 175.66 2dxb s GLU 124 N -2.27 0.51 0.09 1.70 -1.05 -1.08 -4.93 118.70 111.67 2dxb s GLU 124 Ca 0.31 0.26 -0.35 0.00 -0.15 0.00 0.00 54.97 55.04 2dxb s GLU 124 Cb -0.13 0.24 -0.14 0.00 -0.44 0.00 0.00 34.13 33.66 2dxb s GLU 124 CO 0.23 -0.10 1.59 1.17 0.95 0.00 0.00 175.26 179.10 2dxb n LYS 125 N 2.32 1.95 0.00 -4.83 3.00 -1.26 -0.93 118.16 118.41 2dxb n LYS 125 Ca -0.16 0.70 0.09 0.00 -0.00 0.00 0.00 58.31 58.94 2dxb n LYS 125 Cb 0.57 -2.46 0.52 0.00 0.00 0.00 0.00 35.03 33.66 2dxb n LYS 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40