#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxb s TRP 10 N 0.00 3.53 -0.52 3.52 0.52 -1.26 -5.05 118.94 119.69 2dxb s TRP 10 Ca 0.00 0.57 -0.27 0.00 0.02 0.00 0.00 56.10 56.42 2dxb s TRP 10 Cb 0.00 -2.17 0.03 0.00 -1.15 0.00 0.00 33.47 30.18 2dxb s TRP 10 CO 0.00 0.46 1.04 0.34 0.02 0.00 0.00 176.95 178.81 2dxb s ASP 11 N -0.23 6.48 0.00 2.95 -1.08 -1.26 -4.89 116.67 118.64 2dxb s ASP 11 Ca 0.15 0.08 0.23 0.00 -0.52 0.00 0.00 52.55 52.49 2dxb s ASP 11 Cb -0.13 -2.49 0.50 0.00 -1.46 0.00 0.00 42.92 39.34 2dxb s ASP 11 CO 0.04 -1.24 1.45 0.54 0.52 0.00 0.00 175.17 176.47 2dxb n ARG 12 N 7.70 2.50 -0.00 4.34 1.74 -1.26 -4.26 116.66 127.42 2dxb n ARG 12 Ca 0.07 -2.29 0.04 0.00 -0.77 0.00 0.00 57.85 54.90 2dxb n ARG 12 Cb 0.48 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 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 1.45 0.00 0.04 0.55 -2.24 -1.26 -4.76 114.28 108.06 2dxb n THR 13 Ca 0.20 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 2dxb n THR 13 Cb 0.59 0.90 -0.07 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.18 -0.05 4.78 6.17 -2.00 -0.97 115.15 121.90 2dxb h HIS 14 Ca 0.00 0.04 0.03 0.00 0.71 0.00 0.00 60.37 61.15 2dxb h HIS 14 Cb 0.20 0.52 -0.03 0.00 2.52 0.00 0.00 27.41 30.62 2dxb h HIS 14 CO 0.00 -0.49 -0.12 1.25 0.71 0.00 0.00 177.93 179.28 2dxb h HIS 15 N -0.55 -0.30 -0.81 5.26 6.17 -1.88 -1.25 115.15 121.79 2dxb h HIS 15 Ca 0.05 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.16 2dxb h HIS 15 Cb 0.64 0.14 -0.04 0.00 2.52 0.00 0.00 27.41 30.67 2dxb h HIS 15 CO -0.44 -0.18 0.54 0.00 0.71 0.00 0.00 177.93 178.56 2dxb h ALA 16 N 0.84 1.04 0.00 5.26 0.00 -1.84 0.15 119.26 124.71 2dxb h ALA 16 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2dxb h ALA 16 Cb 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2dxb h ALA 16 CO -0.16 0.42 -0.30 0.87 0.00 0.00 0.00 179.25 180.09 2dxb h LYS 17 N 1.08 0.00 0.08 0.00 1.57 -0.89 -0.88 116.57 117.53 2dxb h LYS 17 Ca 0.30 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.79 2dxb h LYS 17 Cb -0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2dxb h LYS 17 CO -0.07 0.30 -1.51 1.98 -0.57 0.00 0.00 179.45 179.57 2dxb h MET 18 N 0.00 0.16 0.00 3.15 4.05 -0.35 -3.40 114.93 118.54 2dxb h MET 18 Ca -0.00 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 2dxb h MET 18 Cb 0.60 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 2dxb h MET 18 CO 0.04 0.98 -1.38 0.00 0.23 0.00 0.00 176.91 176.78 2dxb n ALA 19 N -2.61 3.16 -1.64 0.39 0.00 0.45 -4.84 120.51 115.41 2dxb n ALA 19 Ca -0.15 -0.41 -0.47 0.00 0.00 0.00 0.00 53.44 52.41 2dxb n ALA 19 Cb 1.03 -0.57 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.81 0.35 -0.49 0.00 -1.04 -0.34 -0.11 114.28 110.83 2dxb n THR 20 Ca -0.01 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2dxb n THR 20 Cb 0.36 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 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 2.74 1.17 0.86 3.41 0.00 -1.26 -4.72 105.19 107.39 2dxb n GLY 21 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 0.80 0.00 -0.61 2.08 0.31 -5.16 119.36 114.77 2dxb n ILE 22 Ca 0.00 0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.47 2dxb n ILE 22 Cb 0.00 -1.65 0.00 0.00 -0.75 0.00 0.00 39.64 37.24 2dxb n ILE 22 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dxb n GLY 23 N 2.92 1.79 3.17 7.39 0.00 0.84 -4.71 105.19 116.59 2dxb n GLY 23 Ca -0.06 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 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 2.64 -0.01 1.61 -1.08 -1.26 -0.71 116.67 117.86 2dxb s ASP 24 Ca 0.00 -0.46 0.07 0.00 -0.52 0.00 0.00 52.55 51.64 2dxb s ASP 24 Cb 0.00 -1.10 0.23 0.00 -1.46 0.00 0.00 42.92 40.58 2dxb s ASP 24 CO 0.00 0.14 1.16 -0.81 0.52 0.00 0.00 175.17 176.18 2dxb n PRO 25 N 3.49 1.64 -0.27 4.34 -0.04 -1.26 -4.95 135.00 137.95 2dxb n PRO 25 Ca -0.20 -0.91 0.20 0.00 -0.04 0.00 0.00 63.50 62.55 2dxb n PRO 25 Cb 0.53 -1.24 0.50 0.00 -0.04 0.00 0.00 33.50 33.25 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 1.45 0.41 0.00 0.54 7.50 -1.82 0.48 115.11 123.67 2dxb h GLN 26 Ca 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.13 2dxb h GLN 26 Cb 0.39 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.83 2dxb h GLN 26 CO 0.01 0.27 0.00 0.00 -1.50 0.00 0.00 178.83 177.61 2dxb n PHE 28 N -1.89 0.00 -1.58 0.00 3.72 0.16 -5.00 117.46 112.86 2dxb n PHE 28 Ca 0.00 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.92 2dxb n PHE 28 Cb 0.08 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 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 0.10 1.19 0.00 -1.08 4.81 -0.70 -1.33 118.16 121.16 2dxb n LYS 29 Ca 0.09 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 2dxb n LYS 29 Cb 0.43 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.55 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 2.03 2.82 0.06 3.14 0.00 -1.26 -4.88 105.19 107.11 2dxb n GLY 30 Ca 0.15 0.00 0.13 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 0.14 0.06 1.61 2.81 -0.44 -3.38 117.12 115.93 2dxb n MET 31 Ca 0.00 0.16 0.12 0.00 -1.81 0.00 0.00 57.70 56.17 2dxb n MET 31 Cb 0.00 -1.68 0.12 0.00 -0.71 0.00 0.00 33.22 30.94 2dxb n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dxb h ALA 32 N 2.66 0.53 0.00 3.04 0.00 -1.77 -3.41 119.26 120.30 2dxb h ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dxb h ALA 32 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2dxb h ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2dxb n GLY 33 N 1.31 -0.38 3.74 0.00 0.00 -1.22 -4.81 105.19 103.84 2dxb n GLY 33 Ca 0.02 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 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 4.65 0.39 1.61 2.36 -1.26 -4.99 119.74 122.50 2dxb s LYS 34 Ca 0.00 1.70 -0.24 0.00 -2.55 0.00 0.00 55.97 54.88 2dxb s LYS 34 Cb 0.00 -3.26 -0.09 0.00 -1.05 0.00 0.00 37.83 33.43 2dxb s LYS 34 CO 0.00 0.18 1.02 -1.54 1.55 0.00 0.00 175.35 176.56 2dxb s SER 35 N -0.45 6.88 0.39 1.43 1.04 -1.26 -4.96 113.70 116.77 2dxb s SER 35 Ca 0.47 1.96 0.21 0.00 0.48 0.00 0.00 55.95 59.07 2dxb s SER 35 Cb -0.29 -2.58 0.26 0.00 0.10 0.00 0.00 66.02 63.51 2dxb s SER 35 CO 0.36 -0.40 1.56 0.50 0.98 0.00 0.00 173.24 176.23 2dxb h LYS 36 N 2.55 0.00 -5.01 4.02 3.64 -1.97 -3.46 116.57 116.33 2dxb h LYS 36 Ca -0.48 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.51 2dxb h LYS 36 Cb 1.21 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.88 2dxb h LYS 36 CO 0.63 0.14 -0.61 -0.06 -2.27 0.00 0.00 179.45 177.27 2dxb s PHE 37 N -3.14 1.69 0.09 1.91 0.08 -1.26 -5.11 117.98 112.24 2dxb s PHE 37 Ca 0.06 -1.09 -0.03 0.00 0.12 0.00 0.00 56.93 55.99 2dxb s PHE 37 Cb 0.06 -1.04 -0.03 0.00 -0.57 0.00 0.00 43.02 41.44 2dxb s PHE 37 CO 0.69 -0.20 0.05 -0.80 -0.10 0.00 0.00 175.22 174.86 2dxb s ASN 38 N -3.37 0.35 0.16 1.36 -0.87 -1.26 -5.08 114.94 106.23 2dxb s ASN 38 Ca 0.37 -0.99 -0.33 0.00 -1.57 0.00 0.00 52.86 50.34 2dxb s ASN 38 Cb 0.08 0.27 -0.16 0.00 -0.02 0.00 0.00 41.25 41.42 2dxb s ASN 38 CO 0.14 -0.68 1.18 0.52 -2.57 0.00 0.00 177.10 175.69 2dxb n VAL 39 N 0.00 0.80 0.00 1.60 0.31 -1.26 -1.24 118.33 118.55 2dxb n VAL 39 Ca -0.11 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2dxb n VAL 39 Cb 0.62 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 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 2.06 2.70 3.77 2.92 0.00 0.35 -5.00 105.19 111.99 2dxb n GLY 40 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2dxb n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dxb s ASP 41 N 0.76 6.40 -0.16 1.61 1.01 -0.37 -4.65 116.67 121.27 2dxb s ASP 41 Ca 0.00 2.99 -0.15 0.00 0.71 0.00 0.00 52.55 56.10 2dxb s ASP 41 Cb 0.00 -2.66 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 2dxb s ASP 41 CO 0.00 -0.83 0.35 -0.13 0.21 0.00 0.00 175.17 174.76 2dxb s ARG 42 N -1.83 4.25 0.10 8.23 1.81 -1.26 -1.29 118.95 128.96 2dxb s ARG 42 Ca 0.54 0.17 0.04 0.00 -1.72 0.00 0.00 55.73 54.75 2dxb s ARG 42 Cb -0.46 -3.46 -0.04 0.00 -0.45 0.00 0.00 34.95 30.55 2dxb s ARG 42 CO 0.60 0.15 -0.10 0.14 -0.68 0.00 0.00 175.30 175.41 2dxb s VAL 43 N 0.71 0.92 -0.04 3.52 -7.23 -0.24 -0.99 120.40 117.04 2dxb s VAL 43 Ca 0.18 -1.66 0.04 0.00 -1.81 0.00 0.00 61.98 58.73 2dxb s VAL 43 Cb -0.14 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 2dxb s VAL 43 CO 0.06 -0.58 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.52 2dxb s ARG 44 N -2.87 2.48 -0.22 4.82 3.52 0.00 -0.48 118.95 126.22 2dxb s ARG 44 Ca 0.06 -0.71 -0.25 0.00 -0.13 0.00 0.00 55.73 54.70 2dxb s ARG 44 Cb -0.02 -2.37 -0.01 0.00 -1.56 0.00 0.00 34.95 30.99 2dxb s ARG 44 CO -0.00 0.62 0.86 0.42 -0.81 0.00 0.00 175.30 176.39 2dxb s ILE 45 N -0.74 4.83 0.30 4.11 1.01 -0.44 -2.48 121.20 127.78 2dxb s ILE 45 Ca 0.12 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 62.14 2dxb s ILE 45 Cb -0.11 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.11 2dxb s ILE 45 CO 0.01 -0.06 1.16 -0.54 0.00 0.00 0.00 174.94 175.51 2dxb s LYS 46 N 2.66 4.53 -1.24 2.79 1.02 0.71 -0.68 119.74 129.53 2dxb s LYS 46 Ca 0.37 1.91 -0.08 0.00 0.02 0.00 0.00 55.97 58.19 2dxb s LYS 46 Cb -0.16 -3.12 0.20 0.00 -0.52 0.00 0.00 37.83 34.23 2dxb s LYS 46 CO 0.09 0.07 1.79 -3.47 -0.92 0.00 0.00 175.35 172.91 2dxb n ASP 47 N 1.00 5.36 -4.78 2.83 2.03 -1.26 -4.74 116.55 116.99 2dxb n ASP 47 Ca -0.00 -3.17 -0.35 0.00 0.52 0.00 0.00 54.79 51.79 2dxb n ASP 47 Cb 0.44 -1.44 -0.00 0.00 -0.72 0.00 0.00 41.12 39.40 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 -0.65 3.74 0.29 -2.67 1.43 -1.26 -4.95 118.68 114.61 2dxb s LEU 48 Ca 0.38 2.09 -0.29 0.00 -1.03 0.00 0.00 54.13 55.28 2dxb s LEU 48 Cb 0.08 -4.57 -0.13 0.00 0.03 0.00 0.00 46.19 41.60 2dxb s LEU 48 CO 0.02 -1.13 1.27 -2.65 0.23 0.00 0.00 176.35 174.09 2dxb n PRO 49 N -1.31 1.91 -0.33 1.29 -0.02 -1.26 -4.90 135.00 130.38 2dxb n PRO 49 Ca 0.11 0.67 0.07 0.00 -2.02 0.00 0.00 63.50 62.34 2dxb n PRO 49 Cb 0.51 -2.24 0.18 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.34 2.41 -4.64 2.55 5.68 -1.26 -5.03 116.55 117.60 2dxb n ASP 50 Ca 0.08 -3.36 -0.46 0.00 -0.50 0.00 0.00 54.79 50.55 2dxb n ASP 50 Cb 0.33 -0.49 -0.03 0.00 -1.14 0.00 0.00 41.12 39.79 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 -1.20 2.63 0.00 -2.12 7.94 -1.26 -2.99 117.00 120.00 2dxb n LEU 51 Ca 0.19 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.23 2dxb n LEU 51 Cb 0.73 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.32 2dxb n LEU 51 CO 0.04 -0.70 0.00 0.49 -1.11 0.00 0.00 177.39 176.11 2dxb n PHE 52 N 2.02 0.00 -3.59 1.96 0.99 -1.26 -4.83 117.46 112.76 2dxb n PHE 52 Ca 0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.47 2dxb n PHE 52 Cb 0.29 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.71 2dxb n PHE 52 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 2dxb s TYR 53 N 0.00 -0.44 -0.19 1.38 5.04 -1.16 -5.17 117.35 116.81 2dxb s TYR 53 Ca 0.00 0.84 -0.31 0.00 -2.44 0.00 0.00 57.07 55.16 2dxb s TYR 53 Cb 0.00 0.42 0.15 0.00 0.35 0.00 0.00 41.96 42.88 2dxb s TYR 53 CO 0.00 -0.35 1.14 -0.08 -1.34 0.00 0.00 175.55 174.92 2dxb s THR 54 N -0.78 0.00 -0.10 4.34 -1.32 -1.26 -4.82 115.64 111.70 2dxb s THR 54 Ca -0.02 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.60 2dxb s THR 54 Cb -0.02 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.21 2dxb s THR 54 CO 0.01 0.00 1.12 0.54 -2.21 0.00 0.00 174.62 174.08 2dxb n ARG 55 N 0.43 0.96 -3.66 7.08 1.74 -1.26 -4.89 116.66 117.06 2dxb n ARG 55 Ca -0.05 -2.25 -0.38 0.00 -0.77 0.00 0.00 57.85 54.40 2dxb n ARG 55 Cb 0.59 -1.23 -0.09 0.00 -1.02 0.00 0.00 32.46 30.71 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 -2.14 3.96 0.23 0.55 2.01 -1.26 -5.01 115.64 113.97 2dxb s THR 56 Ca 0.25 -2.80 -0.27 0.00 0.31 0.00 0.00 61.69 59.18 2dxb s THR 56 Cb 0.23 -3.56 -0.17 0.00 0.01 0.00 0.00 72.50 69.00 2dxb s THR 56 CO 0.01 -0.88 0.47 0.23 -0.69 0.00 0.00 174.62 173.76 2dxb n MET 57 N 3.67 0.03 -0.07 4.92 2.81 -1.26 -4.86 117.12 122.36 2dxb n MET 57 Ca 0.07 0.01 0.04 0.00 -1.81 0.00 0.00 57.70 56.01 2dxb n MET 57 Cb 0.39 -1.02 0.39 0.00 -0.71 0.00 0.00 33.22 32.27 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 0.93 1.10 0.00 2.03 2.02 -1.99 -2.23 112.91 114.77 2dxb h THR 58 Ca -0.29 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.66 2dxb h THR 58 Cb 1.44 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2dxb h THR 58 CO 0.56 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.57 2dxb n TYR 59 N -4.46 0.29 0.56 3.16 0.18 -1.26 -1.76 117.16 113.87 2dxb n TYR 59 Ca 0.05 0.14 0.10 0.00 1.88 0.00 0.00 57.90 60.08 2dxb n TYR 59 Cb 0.09 -0.73 -0.14 0.00 -0.38 0.00 0.00 39.34 38.19 2dxb n TYR 59 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2dxb n THR 60 N -1.79 0.00 -1.68 -3.48 -2.24 -0.84 -4.90 114.28 99.35 2dxb n THR 60 Ca 0.00 -0.21 -0.46 0.00 -2.27 0.00 0.00 64.05 61.11 2dxb n THR 60 Cb 0.06 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.79 2.34 -0.58 -0.78 5.12 -0.72 -1.69 116.66 118.55 2dxb n ARG 61 Ca 0.01 0.85 0.00 0.00 -1.93 0.00 0.00 57.85 56.78 2dxb n ARG 61 Cb 0.41 -2.69 0.00 0.00 -1.16 0.00 0.00 32.46 29.02 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 4.11 1.43 3.90 -0.13 0.00 0.15 -4.99 105.19 109.66 2dxb n GLY 62 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.43 3.45 -0.07 4.61 0.00 -0.68 -4.73 121.76 120.90 2dxb s ALA 63 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.54 2dxb s ALA 63 Cb 0.00 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 2dxb s ALA 63 CO 0.00 -0.09 -0.09 0.99 0.00 0.00 0.00 175.76 176.57 2dxb s THR 64 N -2.45 3.49 0.34 0.00 2.01 -1.26 -1.33 115.64 116.43 2dxb s THR 64 Ca 0.48 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.96 2dxb s THR 64 Cb -0.10 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 2dxb s THR 64 CO 0.36 0.59 0.36 0.61 -0.69 0.00 0.00 174.62 175.85 2dxb n GLY 65 N 2.38 2.62 3.45 4.40 0.00 0.37 -4.68 105.19 113.72 2dxb n GLY 65 Ca -0.18 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 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 -3.17 3.38 -0.05 2.61 2.01 -0.50 -1.08 115.64 118.84 2dxb s THR 66 Ca 0.36 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 2dxb s THR 66 Cb 0.01 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 2dxb s THR 66 CO 0.26 0.53 1.32 -0.63 -0.69 0.00 0.00 174.62 175.42 2dxb s ILE 67 N 0.07 3.99 -0.40 1.82 -1.09 -0.41 -1.02 121.20 124.16 2dxb s ILE 67 Ca -0.03 1.32 0.07 0.00 -2.23 0.00 0.00 60.65 59.78 2dxb s ILE 67 Cb -0.14 -3.85 -0.07 0.00 -1.58 0.00 0.00 42.46 36.82 2dxb s ILE 67 CO 0.04 -0.03 0.35 1.33 -1.23 0.00 0.00 174.94 175.40 2dxb n VAL 68 N 4.83 0.00 -3.62 2.92 0.24 -0.18 -0.50 118.33 122.01 2dxb n VAL 68 Ca 0.13 -0.34 -0.07 0.00 -2.04 0.00 0.00 64.34 62.02 2dxb n VAL 68 Cb 0.45 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.63 0.35 -0.53 7.34 3.52 -1.20 -4.91 118.95 121.89 2dxb s ARG 69 Ca 0.03 0.26 -0.17 0.00 -0.13 0.00 0.00 55.73 55.73 2dxb s ARG 69 Cb 0.06 0.17 0.11 0.00 -1.56 0.00 0.00 34.95 33.72 2dxb s ARG 69 CO 0.29 -0.07 0.52 -0.51 -0.81 0.00 0.00 175.30 174.71 2dxb s LEU 70 N -0.37 5.85 0.09 -0.88 1.02 -1.26 -0.45 118.68 122.68 2dxb s LEU 70 Ca 0.04 -1.57 -0.16 0.00 0.02 0.00 0.00 54.13 52.46 2dxb s LEU 70 Cb -0.03 -2.23 -0.10 0.00 0.02 0.00 0.00 46.19 43.85 2dxb s LEU 70 CO -0.07 -0.85 1.41 -0.37 0.02 0.00 0.00 176.35 176.49 2dxb h VAL 71 N 5.86 1.31 -1.73 -1.59 -1.51 -1.70 -3.49 116.25 113.40 2dxb h VAL 71 Ca -0.29 -1.40 0.29 0.00 -1.23 0.00 0.00 66.70 64.06 2dxb h VAL 71 Cb 1.10 1.63 -0.05 0.00 -2.13 0.00 0.00 31.29 31.83 2dxb h VAL 71 CO 1.01 0.44 0.71 0.00 -1.23 0.00 0.00 177.57 178.50 2dxb n TYR 72 N -4.34 -0.05 -4.82 5.19 0.18 -1.25 -5.04 117.16 107.04 2dxb n TYR 72 Ca -0.04 -0.38 -0.31 0.00 1.88 0.00 0.00 57.90 59.05 2dxb n TYR 72 Cb 0.44 0.16 -0.13 0.00 -0.38 0.00 0.00 39.34 39.43 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 -2.00 2.19 -0.21 -3.48 2.02 -1.26 -1.10 118.70 114.87 2dxb s GLU 73 Ca 0.23 -0.89 -0.34 0.00 0.02 0.00 0.00 54.97 53.99 2dxb s GLU 73 Cb -0.00 -2.22 0.15 0.00 0.10 0.00 0.00 34.13 32.16 2dxb s GLU 73 CO -0.02 0.57 1.23 0.45 0.02 0.00 0.00 175.26 177.51 2dxb s SER 74 N -1.12 -0.13 0.63 -0.19 0.15 -0.46 -4.55 113.70 108.02 2dxb s SER 74 Ca 0.13 0.05 -0.16 0.00 0.70 0.00 0.00 55.95 56.67 2dxb s SER 74 Cb -0.10 0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.32 2dxb s SER 74 CO 0.03 -0.19 1.11 -2.16 1.20 0.00 0.00 173.24 173.22 2dxb s PRO 75 N -2.01 2.96 0.61 5.44 0.04 -1.26 -1.25 135.00 139.54 2dxb s PRO 75 Ca 0.08 1.40 -0.18 0.00 0.04 0.00 0.00 61.00 62.34 2dxb s PRO 75 Cb -0.01 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2dxb s PRO 75 CO -0.05 -1.12 1.22 0.00 0.04 0.00 0.00 177.00 177.09 2dxb s ALA 76 N -2.26 2.48 0.41 8.56 0.00 -1.26 -4.78 121.76 124.91 2dxb s ALA 76 Ca 0.67 1.03 0.09 0.00 0.00 0.00 0.00 51.96 53.76 2dxb s ALA 76 Cb -0.20 -3.47 0.85 0.00 0.00 0.00 0.00 23.12 20.30 2dxb s ALA 76 CO 0.38 -1.30 1.98 0.00 0.00 0.00 0.00 175.76 176.83 2dxb h ALA 77 N 0.72 1.61 -0.19 0.00 0.00 -1.98 -0.45 119.26 118.98 2dxb h ALA 77 Ca -0.50 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.33 2dxb h ALA 77 Cb 1.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2dxb h ALA 77 CO 0.54 0.29 0.16 0.93 0.00 0.00 0.00 179.25 181.17 2dxb h GLU 78 N 0.31 0.00 0.01 0.00 3.07 -1.90 0.10 114.58 116.18 2dxb h GLU 78 Ca 0.07 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.53 2dxb h GLU 78 Cb 0.21 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.06 2dxb h GLU 78 CO 0.00 0.00 -2.29 -0.25 -1.40 0.00 0.00 179.01 175.07 2dxb n ASP 79 N -4.16 1.97 -0.25 1.42 8.00 -0.61 -4.44 116.55 118.48 2dxb n ASP 79 Ca 0.02 0.19 0.05 0.00 0.71 0.00 0.00 54.79 55.76 2dxb n ASP 79 Cb 0.29 -0.72 0.29 0.00 -0.02 0.00 0.00 41.12 40.97 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 -0.58 0.87 0.00 -1.24 4.81 -0.94 -0.11 114.58 117.39 2dxb h GLU 80 Ca -0.59 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 2dxb h GLU 80 Cb 1.70 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.89 2dxb h GLU 80 CO -0.24 0.58 0.00 0.00 -0.73 0.00 0.00 179.01 178.62 2dxb n ALA 81 N -2.42 1.40 -1.02 2.92 0.00 0.01 -1.94 120.51 119.46 2dxb n ALA 81 Ca 0.12 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.76 2dxb n ALA 81 Cb 0.22 -1.32 0.15 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 -2.12 0.12 -1.25 0.00 3.72 -0.41 -4.98 117.46 112.53 2dxb n PHE 82 Ca 0.01 -0.97 -0.05 0.00 -0.05 0.00 0.00 57.45 56.39 2dxb n PHE 82 Cb 0.14 -0.17 -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 -1.29 0.71 3.16 1.37 0.00 -0.82 -5.01 105.19 103.31 2dxb n GLY 83 Ca 0.16 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.93 5.47 -0.07 1.61 0.02 -0.19 -4.91 114.94 113.95 2dxb s ASN 84 Ca 0.00 -2.09 0.14 0.00 -1.02 0.00 0.00 52.86 49.88 2dxb s ASN 84 Cb 0.00 -1.91 0.43 0.00 0.02 0.00 0.00 41.25 39.79 2dxb s ASN 84 CO 0.00 -0.59 1.36 -0.62 0.02 0.00 0.00 177.10 177.27 2dxb n GLU 85 N 4.58 2.99 -0.29 -0.60 1.02 -1.26 -3.26 120.64 123.81 2dxb n GLU 85 Ca -0.03 -2.41 -0.05 0.00 -0.02 0.00 0.00 57.16 54.66 2dxb n GLU 85 Cb 0.41 -1.52 0.07 0.00 -0.02 0.00 0.00 31.44 30.37 2dxb n GLU 85 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2dxb h GLU 86 N 2.26 1.10 -5.46 3.49 3.07 -1.97 -3.43 114.58 113.64 2dxb h GLU 86 Ca 0.00 -0.11 -0.63 0.00 -0.50 0.00 0.00 59.36 58.12 2dxb h GLU 86 Cb 1.04 -0.22 -0.11 0.00 -0.84 0.00 0.00 28.75 28.61 2dxb h GLU 86 CO 0.09 0.79 -0.51 -0.80 -1.40 0.00 0.00 179.01 177.18 2dxb s ASN 87 N -6.06 6.08 -0.01 1.42 0.01 -1.26 -5.10 114.94 110.01 2dxb s ASN 87 Ca -0.13 0.28 0.07 0.00 -0.71 0.00 0.00 52.86 52.38 2dxb s ASN 87 Cb 0.15 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.79 2dxb s ASN 87 CO 0.80 0.28 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.74 2dxb s VAL 88 N -0.23 1.88 0.22 1.60 1.01 -1.26 -4.01 120.40 119.60 2dxb s VAL 88 Ca 0.10 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 2dxb s VAL 88 Cb -0.12 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2dxb s VAL 88 CO 0.01 0.50 0.11 -1.83 0.00 0.00 0.00 175.10 173.89 2dxb s GLU 89 N -0.63 1.26 0.32 2.72 -1.05 -0.38 -4.19 118.70 116.74 2dxb s GLU 89 Ca 0.09 -1.66 -0.27 0.00 -0.15 0.00 0.00 54.97 52.98 2dxb s GLU 89 Cb -0.09 0.06 -0.10 0.00 -0.44 0.00 0.00 34.13 33.56 2dxb s GLU 89 CO -0.01 -0.34 0.97 -1.58 0.95 0.00 0.00 175.26 175.25 2dxb s TRP 90 N -3.99 3.66 -0.09 4.83 0.52 -1.26 -1.36 118.94 121.25 2dxb s TRP 90 Ca 0.37 1.78 0.01 0.00 0.02 0.00 0.00 56.10 58.28 2dxb s TRP 90 Cb 0.07 -2.99 -0.02 0.00 -1.15 0.00 0.00 33.47 29.38 2dxb s TRP 90 CO 0.12 0.07 -0.10 -0.06 0.02 0.00 0.00 176.95 176.99 2dxb s PHE 91 N -1.53 2.86 -0.02 -1.98 0.40 -0.25 -0.88 117.98 116.58 2dxb s PHE 91 Ca 0.50 -0.22 0.07 0.00 -0.60 0.00 0.00 56.93 56.68 2dxb s PHE 91 Cb -0.21 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.54 2dxb s PHE 91 CO 0.27 0.12 -0.24 0.71 0.70 0.00 0.00 175.22 176.77 2dxb s TYR 92 N -0.35 2.40 -0.24 0.36 2.02 -0.52 -1.79 117.35 119.22 2dxb s TYR 92 Ca 0.04 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.19 2dxb s TYR 92 Cb -0.12 -1.51 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 2dxb s TYR 92 CO 0.02 0.02 0.44 0.45 -1.57 0.00 0.00 175.55 174.92 2dxb s SER 93 N -0.73 6.39 -0.04 2.29 0.15 0.40 -0.40 113.70 121.76 2dxb s SER 93 Ca 0.11 0.46 0.07 0.00 0.70 0.00 0.00 55.95 57.29 2dxb s SER 93 Cb -0.10 -2.25 -0.01 0.00 -1.71 0.00 0.00 66.02 61.95 2dxb s SER 93 CO -0.00 -0.19 -0.25 -0.63 1.20 0.00 0.00 173.24 173.37 2dxb s ILE 94 N 1.91 2.02 -0.19 6.45 1.01 0.31 -1.02 121.20 131.69 2dxb s ILE 94 Ca 0.19 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 2dxb s ILE 94 Cb -0.15 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2dxb s ILE 94 CO 0.09 0.57 0.06 -0.69 0.00 0.00 0.00 174.94 174.97 2dxb s VAL 95 N -0.31 4.69 0.02 2.92 1.01 -0.19 -1.81 120.40 126.72 2dxb s VAL 95 Ca 0.01 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.98 2dxb s VAL 95 Cb -0.12 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 2dxb s VAL 95 CO 0.02 0.44 -0.15 -0.36 0.00 0.00 0.00 175.10 175.05 2dxb s PHE 96 N 0.60 2.65 0.04 5.22 0.08 0.71 -1.41 117.98 125.88 2dxb s PHE 96 Ca 0.03 -0.20 -0.29 0.00 0.12 0.00 0.00 56.93 56.59 2dxb s PHE 96 Cb -0.13 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 2dxb s PHE 96 CO 0.01 0.27 0.95 0.00 -0.10 0.00 0.00 175.22 176.35 2dxb s ALA 97 N -0.92 3.21 0.30 5.36 0.00 -1.26 -0.95 121.76 127.50 2dxb s ALA 97 Ca 0.15 0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.67 2dxb s ALA 97 Cb -0.11 -3.28 0.64 0.00 0.00 0.00 0.00 23.12 20.38 2dxb s ALA 97 CO 0.05 -0.12 1.82 1.96 0.00 0.00 0.00 175.76 179.47 2dxb h GLN 98 N 6.24 0.86 0.00 0.00 1.08 -1.63 0.52 115.11 122.19 2dxb h GLN 98 Ca -0.42 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 56.73 2dxb h GLN 98 Cb 1.21 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 28.45 2dxb h GLN 98 CO 0.73 0.57 -0.01 1.57 -0.95 0.00 0.00 178.83 180.75 2dxb h LYS 99 N 0.89 0.00 0.00 1.46 2.10 -1.82 -0.39 116.57 118.81 2dxb h LYS 99 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 2dxb h LYS 99 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2dxb h LYS 99 CO -0.30 0.01 -0.34 -0.25 -2.00 0.00 0.00 179.45 176.58 2dxb n ASP 100 N -3.15 0.51 -0.13 7.07 8.00 0.17 -4.09 116.55 124.94 2dxb n ASP 100 Ca -0.02 0.19 -0.22 0.00 0.71 0.00 0.00 54.79 55.45 2dxb n ASP 100 Cb 0.14 -0.14 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.84 2.52 -4.11 0.64 4.77 -0.31 -4.88 117.00 113.79 2dxb n LEU 101 Ca 0.05 0.05 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 2dxb n LEU 101 Cb 0.39 -0.83 -0.15 0.00 -2.33 0.00 0.00 43.42 40.50 2dxb n LEU 101 CO 0.33 0.77 -0.43 0.26 -1.33 0.00 0.00 177.39 176.99 2dxb s TRP 102 N -2.49 3.23 0.40 -1.77 0.52 -0.31 -5.00 118.94 113.52 2dxb s TRP 102 Ca -0.35 -2.11 0.19 0.00 0.02 0.00 0.00 56.10 53.86 2dxb s TRP 102 Cb 0.11 -1.99 1.12 0.00 -1.15 0.00 0.00 33.47 31.55 2dxb s TRP 102 CO 0.53 -0.84 1.78 -1.35 0.02 0.00 0.00 176.95 177.08 2dxb h PRO 103 N 7.86 0.37 -0.00 4.98 0.11 -1.86 -1.35 132.00 142.10 2dxb h PRO 103 Ca -0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2dxb h PRO 103 Cb 1.06 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2dxb h PRO 103 CO 0.50 0.25 -0.06 -0.85 -0.21 0.00 0.00 178.00 177.62 2dxb n GLU 104 N -4.60 0.94 -1.69 1.05 0.00 -1.26 -4.93 120.64 110.16 2dxb n GLU 104 Ca 0.25 -0.31 -0.44 0.00 0.00 0.00 0.00 57.16 56.66 2dxb n GLU 104 Cb 0.88 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.80 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 -0.76 2.32 -2.32 -1.84 9.36 -0.51 -4.91 117.16 118.51 2dxb n TYR 105 Ca 0.18 0.37 -0.41 0.00 3.32 0.00 0.00 57.90 61.36 2dxb n TYR 105 Cb 0.25 -2.50 -0.03 0.00 -0.63 0.00 0.00 39.34 36.42 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 0.43 7.04 0.45 2.98 0.15 -1.26 -4.90 113.70 118.58 2dxb s SER 106 Ca 0.69 2.38 0.31 0.00 0.70 0.00 0.00 55.95 60.02 2dxb s SER 106 Cb -0.62 -2.62 1.45 0.00 -1.71 0.00 0.00 66.02 62.51 2dxb s SER 106 CO 0.47 -0.37 1.93 0.44 1.20 0.00 0.00 173.24 176.92 2dxb h ASP 107 N 4.43 0.00 0.18 5.45 3.32 -1.99 -1.48 116.42 126.32 2dxb h ASP 107 Ca -0.46 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 2dxb h ASP 107 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2dxb h ASP 107 CO 0.71 0.00 -0.19 0.74 -1.72 0.00 0.00 179.24 178.78 2dxb h THR 108 N 0.00 1.15 -1.54 0.35 2.02 -2.01 -2.69 112.91 110.18 2dxb h THR 108 Ca 0.00 -0.69 -0.64 0.00 0.77 0.00 0.00 66.41 65.85 2dxb h THR 108 Cb 0.27 1.35 -0.37 0.00 -1.74 0.00 0.00 68.15 67.66 2dxb h THR 108 CO 0.00 0.20 -0.13 0.49 0.37 0.00 0.00 175.52 176.45 2dxb n PHE 109 N -4.30 3.21 0.29 3.16 3.72 -0.56 -4.82 117.46 118.16 2dxb n PHE 109 Ca -0.02 -2.79 0.18 0.00 -0.05 0.00 0.00 57.45 54.77 2dxb n PHE 109 Cb 0.26 -0.51 0.88 0.00 -0.94 0.00 0.00 39.48 39.17 2dxb n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dxb h ALA 110 N 2.62 1.00 -0.00 4.37 0.00 -1.54 -2.73 119.26 122.97 2dxb h ALA 110 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2dxb h ALA 110 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2dxb h ALA 110 CO 1.05 0.00 -0.36 0.09 0.00 0.00 0.00 179.25 180.03 2dxb n ASN 111 N -2.80 0.59 -4.76 0.00 5.03 -1.26 -4.90 115.26 107.15 2dxb n ASN 111 Ca -0.01 -0.38 -0.41 0.00 0.87 0.00 0.00 54.58 54.65 2dxb n ASN 111 Cb 0.13 0.13 -0.02 0.00 -1.02 0.00 0.00 39.78 39.00 2dxb n ASN 111 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2dxb s ASP 112 N -2.83 6.59 0.37 6.41 1.01 -1.03 -4.96 116.67 122.23 2dxb s ASP 112 Ca 0.16 2.80 0.04 0.00 0.71 0.00 0.00 52.55 56.27 2dxb s ASP 112 Cb 0.18 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 2dxb s ASP 112 CO 0.62 -0.71 0.16 0.42 0.21 0.00 0.00 175.17 175.87 2dxb s THR 113 N -0.71 0.46 -0.06 -1.27 -4.23 -1.26 -1.67 115.64 106.89 2dxb s THR 113 Ca 0.54 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.03 2dxb s THR 113 Cb -0.43 -2.42 0.04 0.00 1.34 0.00 0.00 72.50 71.03 2dxb s THR 113 CO 0.52 0.00 0.14 -0.22 -0.54 0.00 0.00 174.62 174.52 2dxb s LEU 114 N -3.51 0.69 -0.07 4.79 0.20 -0.12 -4.79 118.68 115.86 2dxb s LEU 114 Ca 0.29 0.28 0.04 0.00 0.69 0.00 0.00 54.13 55.44 2dxb s LEU 114 Cb 0.03 0.32 -0.02 0.00 -0.43 0.00 0.00 46.19 46.09 2dxb s LEU 114 CO 0.17 -0.15 -0.19 -0.70 -0.29 0.00 0.00 176.35 175.19 2dxb s GLU 115 N 1.25 2.69 0.18 1.98 2.12 -1.26 -0.20 118.70 125.45 2dxb s GLU 115 Ca -0.08 -0.80 -0.18 0.00 0.36 0.00 0.00 54.97 54.27 2dxb s GLU 115 Cb -0.12 -2.32 0.03 0.00 0.26 0.00 0.00 34.13 31.99 2dxb s GLU 115 CO -0.06 0.43 0.50 -0.08 -0.54 0.00 0.00 175.26 175.52 2dxb s THR 116 N -0.25 0.03 -0.08 -1.70 -1.32 -0.75 -4.97 115.64 106.60 2dxb s THR 116 Ca 0.00 -0.66 -0.04 0.00 -1.21 0.00 0.00 61.69 59.78 2dxb s THR 116 Cb -0.13 -1.44 -0.04 0.00 -1.51 0.00 0.00 72.50 69.39 2dxb s THR 116 CO 0.03 -0.15 0.10 -1.61 -2.21 0.00 0.00 174.62 170.78 2dxb s GLU 117 N -3.85 3.26 -0.03 7.08 2.02 -1.26 -0.53 118.70 125.38 2dxb s GLU 117 Ca 0.07 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.77 2dxb s GLU 117 Cb -0.00 -3.02 0.03 0.00 0.10 0.00 0.00 34.13 31.24 2dxb s GLU 117 CO -0.06 0.73 0.06 0.42 0.02 0.00 0.00 175.26 176.43 2dxb s ILE 118 N -1.05 -0.05 0.62 -1.63 1.01 0.47 -4.94 121.20 115.63 2dxb s ILE 118 Ca 0.17 0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.84 2dxb s ILE 118 Cb -0.12 -0.13 -0.02 0.00 0.01 0.00 0.00 42.46 42.21 2dxb s ILE 118 CO 0.07 0.08 1.15 -2.16 0.00 0.00 0.00 174.94 174.08 2dxb s PRO 119 N 1.03 2.88 0.31 2.79 0.04 -1.26 -1.43 135.00 139.36 2dxb s PRO 119 Ca -0.08 1.62 0.08 0.00 0.04 0.00 0.00 61.00 62.66 2dxb s PRO 119 Cb -0.12 -1.94 0.85 0.00 0.04 0.00 0.00 34.50 33.34 2dxb s PRO 119 CO -0.04 -1.23 1.73 1.49 0.04 0.00 0.00 177.00 178.99 2dxb h GLU 120 N 0.49 0.55 -0.40 4.56 4.81 -1.36 -2.42 114.58 120.82 2dxb h GLU 120 Ca -0.49 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 58.83 2dxb h GLU 120 Cb 1.27 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2dxb h GLU 120 CO 0.54 0.36 0.48 0.07 -0.73 0.00 0.00 179.01 179.73 2dxb h ARG 121 N 0.57 0.00 -0.01 1.92 0.11 -1.91 0.21 114.38 115.27 2dxb h ARG 121 Ca 0.63 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.71 2dxb h ARG 121 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2dxb h ARG 121 CO -0.48 0.00 -0.22 0.66 0.10 0.00 0.00 179.97 180.04 2dxb n TYR 122 N -3.59 0.00 -3.90 4.08 4.01 -0.91 -4.92 117.16 111.94 2dxb n TYR 122 Ca 0.07 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.47 2dxb n TYR 122 Cb 0.64 -0.08 -0.05 0.00 -0.31 0.00 0.00 39.34 39.54 2dxb n TYR 122 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2dxb s LEU 123 N -2.38 4.38 -0.07 7.72 1.43 0.06 -0.21 118.68 129.61 2dxb s LEU 123 Ca 0.27 0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.69 2dxb s LEU 123 Cb 0.20 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 44.01 2dxb s LEU 123 CO 0.48 0.31 0.19 -1.83 0.23 0.00 0.00 176.35 175.74 2dxb s GLU 124 N -1.62 0.26 0.17 1.70 -1.05 -1.04 -4.94 118.70 112.18 2dxb s GLU 124 Ca 0.23 0.22 -0.34 0.00 -0.15 0.00 0.00 54.97 54.93 2dxb s GLU 124 Cb -0.12 0.12 -0.14 0.00 -0.44 0.00 0.00 34.13 33.54 2dxb s GLU 124 CO 0.14 -0.04 1.45 0.36 0.95 0.00 0.00 175.26 178.12 2dxb n LYS 125 N 2.83 1.84 0.00 -4.83 -0.00 -1.26 -0.82 118.16 115.92 2dxb n LYS 125 Ca -0.13 0.66 0.14 0.00 -0.00 0.00 0.00 58.31 58.98 2dxb n LYS 125 Cb 0.58 -2.35 0.85 0.00 -0.00 0.00 0.00 35.03 34.11 2dxb n LYS 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40