#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxb n PRO 8 N 0.00 2.35 -3.75 1.97 -0.02 -1.26 -4.99 135.00 129.30 2dxb n PRO 8 Ca 0.00 0.83 -0.36 0.00 -2.02 0.00 0.00 63.50 61.95 2dxb n PRO 8 Cb 0.00 -2.53 -0.11 0.00 -0.02 0.00 0.00 33.50 30.85 2dxb n PRO 8 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dxb s VAL 9 N -0.34 4.90 -0.17 -1.45 1.01 -1.26 -5.08 120.40 118.01 2dxb s VAL 9 Ca 0.63 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.49 2dxb s VAL 9 Cb -0.56 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2dxb s VAL 9 CO 0.53 0.34 0.30 0.26 0.00 0.00 0.00 175.10 176.54 2dxb s TRP 10 N 1.25 3.44 -0.80 5.22 0.52 -1.26 -5.02 118.94 122.29 2dxb s TRP 10 Ca 0.06 0.58 -0.26 0.00 0.02 0.00 0.00 56.10 56.50 2dxb s TRP 10 Cb -0.14 -2.37 0.03 0.00 -1.15 0.00 0.00 33.47 29.84 2dxb s TRP 10 CO 0.05 0.19 1.36 0.34 0.02 0.00 0.00 176.95 178.91 2dxb s ASP 11 N 0.59 6.17 0.00 2.95 -1.08 -1.26 -4.86 116.67 119.18 2dxb s ASP 11 Ca 0.16 -0.64 0.18 0.00 -0.52 0.00 0.00 52.55 51.74 2dxb s ASP 11 Cb -0.13 -2.56 0.75 0.00 -1.46 0.00 0.00 42.92 39.52 2dxb s ASP 11 CO 0.04 -1.81 1.53 0.54 0.52 0.00 0.00 175.17 175.99 2dxb n ARG 12 N 9.25 1.54 0.00 4.34 1.74 -1.26 -3.94 116.66 128.33 2dxb n ARG 12 Ca 0.11 -0.82 0.04 0.00 -0.77 0.00 0.00 57.85 56.41 2dxb n ARG 12 Cb 0.50 -1.34 -0.05 0.00 -1.02 0.00 0.00 32.46 30.55 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 0.06 0.00 0.08 0.55 -2.24 -1.26 -4.74 114.28 106.72 2dxb n THR 13 Ca 0.14 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 2dxb n THR 13 Cb 0.25 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.10 -0.63 0.00 4.78 6.17 -2.00 -1.79 115.15 121.78 2dxb h HIS 14 Ca 0.00 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.11 2dxb h HIS 14 Cb 0.22 0.27 -0.02 0.00 2.52 0.00 0.00 27.41 30.41 2dxb h HIS 14 CO 0.00 -0.33 -0.07 1.25 0.71 0.00 0.00 177.93 179.49 2dxb h HIS 15 N -0.39 -0.17 -0.50 5.26 6.17 -1.86 -1.26 115.15 122.39 2dxb h HIS 15 Ca 0.05 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.16 2dxb h HIS 15 Cb 0.45 0.08 -0.03 0.00 2.52 0.00 0.00 27.41 30.43 2dxb h HIS 15 CO -0.26 -0.11 0.31 0.00 0.71 0.00 0.00 177.93 178.58 2dxb h ALA 16 N 0.87 0.64 -0.23 5.26 0.00 -1.86 0.22 119.26 124.17 2dxb h ALA 16 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2dxb h ALA 16 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2dxb h ALA 16 CO -0.07 0.01 0.01 0.87 0.00 0.00 0.00 179.25 180.07 2dxb h LYS 17 N 0.61 0.33 0.16 0.00 1.57 -1.11 0.22 116.57 118.34 2dxb h LYS 17 Ca 0.20 -0.05 -0.31 0.00 -1.87 0.00 0.00 60.65 58.62 2dxb h LYS 17 Cb 0.01 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.27 2dxb h LYS 17 CO -0.08 0.35 -1.45 1.98 -0.57 0.00 0.00 179.45 179.68 2dxb h MET 18 N 0.32 0.33 0.00 3.15 4.05 -0.48 -3.40 114.93 118.91 2dxb h MET 18 Ca 0.08 -0.56 -0.03 0.00 -0.28 0.00 0.00 59.70 58.90 2dxb h MET 18 Cb 0.21 0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 2dxb h MET 18 CO 0.00 1.23 -2.00 0.00 0.23 0.00 0.00 176.91 176.38 2dxb n ALA 19 N -2.65 2.67 -1.66 0.39 0.00 0.72 -4.82 120.51 115.16 2dxb n ALA 19 Ca -0.15 -0.57 -0.50 0.00 0.00 0.00 0.00 53.44 52.23 2dxb n ALA 19 Cb 1.05 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.28 0.20 0.00 0.00 -1.04 0.05 -0.42 114.28 110.80 2dxb n THR 20 Ca -0.06 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2dxb n THR 20 Cb 0.60 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 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 3.60 2.91 0.43 3.41 0.00 -1.26 -4.74 105.19 109.53 2dxb n GLY 21 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 1.12 0.00 -0.61 -0.00 0.21 -5.15 119.36 112.93 2dxb n ILE 22 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.64 2dxb n ILE 22 Cb 0.00 -1.85 0.00 0.00 -0.00 0.00 0.00 39.64 37.79 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 1.95 1.93 3.10 7.39 0.00 0.44 -4.68 105.19 115.32 2dxb n GLY 23 Ca -0.28 -2.02 -0.28 0.00 0.00 0.00 0.00 46.02 43.44 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 2.42 -0.00 1.61 -1.08 -1.26 -0.14 116.67 118.22 2dxb s ASP 24 Ca 0.00 -0.43 0.03 0.00 -0.52 0.00 0.00 52.55 51.64 2dxb s ASP 24 Cb 0.00 -1.10 0.10 0.00 -1.46 0.00 0.00 42.92 40.46 2dxb s ASP 24 CO 0.00 0.07 1.05 -0.81 0.52 0.00 0.00 175.17 176.00 2dxb n PRO 25 N 3.81 1.29 0.00 4.34 -0.04 -1.26 -4.95 135.00 138.20 2dxb n PRO 25 Ca -0.21 -0.42 0.16 0.00 -0.04 0.00 0.00 63.50 63.00 2dxb n PRO 25 Cb 0.52 -1.13 0.63 0.00 -0.04 0.00 0.00 33.50 33.48 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 0.66 0.12 0.00 0.54 7.50 -1.80 -0.97 115.11 121.16 2dxb h GLN 26 Ca 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 2dxb h GLN 26 Cb 0.20 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.71 2dxb h GLN 26 CO 0.01 0.08 0.00 0.00 -1.50 0.00 0.00 178.83 177.41 2dxb n PHE 28 N -1.37 0.00 -1.60 0.00 3.72 -0.37 -5.01 117.46 112.83 2dxb n PHE 28 Ca 0.05 0.00 -0.51 0.00 -0.05 0.00 0.00 57.45 56.94 2dxb n PHE 28 Cb 0.12 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.61 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 0.47 1.24 0.00 -1.08 4.81 -0.91 -1.28 118.16 121.41 2dxb n LYS 29 Ca 0.08 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 2dxb n LYS 29 Cb 0.36 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.33 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 2.50 2.50 0.00 3.14 0.00 -1.26 -4.89 105.19 107.18 2dxb n GLY 30 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 0.11 0.03 1.61 2.81 -0.40 -3.45 117.12 115.83 2dxb n MET 31 Ca 0.00 0.03 0.12 0.00 -1.81 0.00 0.00 57.70 56.04 2dxb n MET 31 Cb 0.00 -1.50 0.09 0.00 -0.71 0.00 0.00 33.22 31.10 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 -1.44 3.29 -0.07 3.04 0.00 -1.26 -4.57 120.51 119.50 2dxb n ALA 32 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2dxb n ALA 32 Cb 0.29 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.14 3.74 0.00 0.00 -1.22 -4.79 105.19 104.16 2dxb n GLY 33 Ca 0.03 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 2dxb n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dxb s LYS 34 N 0.00 4.66 0.33 1.61 1.02 -1.26 -5.00 119.74 121.10 2dxb s LYS 34 Ca 0.00 1.67 -0.27 0.00 0.02 0.00 0.00 55.97 57.39 2dxb s LYS 34 Cb 0.00 -3.27 -0.09 0.00 -0.52 0.00 0.00 37.83 33.95 2dxb s LYS 34 CO 0.00 0.20 1.07 -1.54 -0.92 0.00 0.00 175.35 174.16 2dxb s SER 35 N -0.47 7.05 0.26 2.83 1.04 -1.26 -4.94 113.70 118.21 2dxb s SER 35 Ca 0.46 2.14 0.13 0.00 0.48 0.00 0.00 55.95 59.17 2dxb s SER 35 Cb -0.29 -2.61 0.22 0.00 0.10 0.00 0.00 66.02 63.44 2dxb s SER 35 CO 0.35 -0.29 1.51 0.50 0.98 0.00 0.00 173.24 176.30 2dxb h LYS 36 N 3.23 0.00 -5.22 4.02 3.64 -1.96 -3.46 116.57 116.81 2dxb h LYS 36 Ca -0.47 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.41 2dxb h LYS 36 Cb 1.21 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.90 2dxb h LYS 36 CO 0.65 0.63 -0.59 -0.06 -2.27 0.00 0.00 179.45 177.80 2dxb s PHE 37 N -3.20 1.97 0.13 1.91 0.08 -1.26 -5.13 117.98 112.49 2dxb s PHE 37 Ca 0.01 -0.98 -0.01 0.00 0.12 0.00 0.00 56.93 56.06 2dxb s PHE 37 Cb 0.10 -1.30 -0.04 0.00 -0.57 0.00 0.00 43.02 41.21 2dxb s PHE 37 CO 0.75 -0.00 0.07 -0.80 -0.10 0.00 0.00 175.22 175.14 2dxb s ASN 38 N -3.53 0.29 0.21 1.36 -0.87 -1.26 -5.08 114.94 106.07 2dxb s ASN 38 Ca 0.34 -1.20 -0.32 0.00 -1.57 0.00 0.00 52.86 50.11 2dxb s ASN 38 Cb 0.08 0.30 -0.14 0.00 -0.02 0.00 0.00 41.25 41.47 2dxb s ASN 38 CO 0.15 -0.74 1.37 0.52 -2.57 0.00 0.00 177.10 175.84 2dxb n VAL 39 N -0.10 0.79 0.00 1.60 0.31 -1.26 -1.49 118.33 118.18 2dxb n VAL 39 Ca -0.05 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2dxb n VAL 39 Cb 0.64 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 2.29 3.24 3.76 2.92 0.00 0.17 -5.01 105.19 112.56 2dxb n GLY 40 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.32 5.83 -0.21 1.61 1.01 -0.55 -4.72 116.67 119.32 2dxb s ASP 41 Ca 0.00 2.54 -0.13 0.00 0.71 0.00 0.00 52.55 55.68 2dxb s ASP 41 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 2dxb s ASP 41 CO 0.00 -1.17 0.25 -0.13 0.21 0.00 0.00 175.17 174.33 2dxb s ARG 42 N -2.71 4.15 0.09 8.23 1.81 -1.26 -1.48 118.95 127.77 2dxb s ARG 42 Ca 0.66 -0.07 0.05 0.00 -1.72 0.00 0.00 55.73 54.64 2dxb s ARG 42 Cb -0.35 -3.50 -0.03 0.00 -0.45 0.00 0.00 34.95 30.62 2dxb s ARG 42 CO 0.42 0.10 -0.12 0.14 -0.68 0.00 0.00 175.30 175.16 2dxb s VAL 43 N 0.93 1.05 -0.03 3.52 -7.23 -0.23 -0.72 120.40 117.69 2dxb s VAL 43 Ca 0.12 -1.51 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 2dxb s VAL 43 Cb -0.13 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 2dxb s VAL 43 CO 0.04 -0.41 -0.08 -0.60 -0.31 0.00 0.00 175.10 173.75 2dxb s ARG 44 N -2.33 2.61 -0.24 4.82 3.52 -0.13 -0.27 118.95 126.92 2dxb s ARG 44 Ca 0.03 -0.66 -0.22 0.00 -0.13 0.00 0.00 55.73 54.74 2dxb s ARG 44 Cb -0.06 -2.52 -0.01 0.00 -1.56 0.00 0.00 34.95 30.80 2dxb s ARG 44 CO 0.01 0.63 0.72 0.42 -0.81 0.00 0.00 175.30 176.27 2dxb s ILE 45 N -0.90 4.93 0.31 4.11 1.09 -0.46 -2.41 121.20 127.87 2dxb s ILE 45 Ca 0.15 1.33 -0.29 0.00 -1.10 0.00 0.00 60.65 60.74 2dxb s ILE 45 Cb -0.11 -4.01 -0.10 0.00 -1.06 0.00 0.00 42.46 37.18 2dxb s ILE 45 CO 0.04 -0.00 1.21 -0.54 -0.10 0.00 0.00 174.94 175.55 2dxb s LYS 46 N 2.56 4.49 -1.35 2.79 1.02 0.14 -0.65 119.74 128.74 2dxb s LYS 46 Ca 0.30 2.02 -0.08 0.00 0.02 0.00 0.00 55.97 58.23 2dxb s LYS 46 Cb -0.15 -3.12 0.11 0.00 -0.52 0.00 0.00 37.83 34.14 2dxb s LYS 46 CO 0.08 0.00 2.23 -3.47 -0.92 0.00 0.00 175.35 173.28 2dxb n ASP 47 N 0.98 6.52 -4.76 2.83 2.03 -1.26 -4.75 116.55 118.13 2dxb n ASP 47 Ca -0.01 -3.03 -0.34 0.00 0.52 0.00 0.00 54.79 51.93 2dxb n ASP 47 Cb 0.43 -1.46 0.05 0.00 -0.72 0.00 0.00 41.12 39.42 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 -0.64 3.44 0.24 -2.67 1.43 -1.26 -4.93 118.68 114.28 2dxb s LEU 48 Ca 0.49 2.15 -0.31 0.00 -1.03 0.00 0.00 54.13 55.43 2dxb s LEU 48 Cb 0.14 -4.57 -0.13 0.00 0.03 0.00 0.00 46.19 41.67 2dxb s LEU 48 CO -0.05 -1.74 1.50 -2.65 0.23 0.00 0.00 176.35 173.64 2dxb n PRO 49 N -2.29 2.28 -0.35 1.29 -0.02 -1.26 -4.89 135.00 129.76 2dxb n PRO 49 Ca 0.12 0.81 0.09 0.00 -2.02 0.00 0.00 63.50 62.50 2dxb n PRO 49 Cb 0.51 -2.53 0.27 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.46 3.74 -4.65 2.55 5.68 -1.26 -4.99 116.55 120.08 2dxb n ASP 50 Ca 0.12 -2.12 -0.55 0.00 -0.50 0.00 0.00 54.79 51.74 2dxb n ASP 50 Cb 0.33 -0.42 -0.07 0.00 -1.14 0.00 0.00 41.12 39.82 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 1.08 1.92 0.00 -2.12 7.94 -1.26 -2.67 117.00 121.89 2dxb n LEU 51 Ca 0.20 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.20 2dxb n LEU 51 Cb 0.61 -1.15 0.00 0.00 0.53 0.00 0.00 43.42 43.41 2dxb n LEU 51 CO 0.15 -0.79 0.00 0.49 -1.11 0.00 0.00 177.39 176.13 2dxb n PHE 52 N 3.82 0.00 -3.60 1.96 3.72 -1.26 -4.85 117.46 117.25 2dxb n PHE 52 Ca 0.22 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.51 2dxb n PHE 52 Cb 0.15 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.52 -0.19 1.38 5.04 -1.09 -5.16 117.35 116.80 2dxb s TYR 53 Ca 0.00 1.13 -0.29 0.00 -2.44 0.00 0.00 57.07 55.47 2dxb s TYR 53 Cb 0.00 0.38 0.14 0.00 0.35 0.00 0.00 41.96 42.82 2dxb s TYR 53 CO 0.00 -0.34 1.05 -0.08 -1.34 0.00 0.00 175.55 174.85 2dxb s THR 54 N -0.31 0.00 -0.10 4.34 -1.32 -1.26 -4.83 115.64 112.15 2dxb s THR 54 Ca -0.01 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.63 2dxb s THR 54 Cb -0.03 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.19 2dxb s THR 54 CO -0.01 0.00 1.12 0.54 -2.21 0.00 0.00 174.62 174.06 2dxb n ARG 55 N 0.92 1.26 -3.59 7.08 1.74 -1.26 -4.89 116.66 117.92 2dxb n ARG 55 Ca -0.09 -2.30 -0.40 0.00 -0.77 0.00 0.00 57.85 54.29 2dxb n ARG 55 Cb 0.58 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.39 4.14 0.24 0.55 2.01 -1.26 -5.00 115.64 113.93 2dxb s THR 56 Ca 0.26 -2.20 -0.28 0.00 0.31 0.00 0.00 61.69 59.78 2dxb s THR 56 Cb 0.22 -3.71 -0.16 0.00 0.01 0.00 0.00 72.50 68.87 2dxb s THR 56 CO 0.02 -0.82 0.79 0.23 -0.69 0.00 0.00 174.62 174.15 2dxb n MET 57 N 4.40 0.70 -0.02 4.92 2.81 -1.26 -4.87 117.12 123.81 2dxb n MET 57 Ca -0.01 0.25 0.08 0.00 -1.81 0.00 0.00 57.70 56.22 2dxb n MET 57 Cb 0.41 -1.45 0.48 0.00 -0.71 0.00 0.00 33.22 31.95 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 1.56 0.99 0.00 2.03 2.02 -1.99 -1.87 112.91 115.66 2dxb h THR 58 Ca -0.34 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2dxb h THR 58 Cb 1.39 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2dxb h THR 58 CO 0.59 0.08 0.00 0.00 0.37 0.00 0.00 175.52 176.56 2dxb n TYR 59 N -4.48 0.41 0.49 3.16 0.18 -1.26 -1.91 117.16 113.75 2dxb n TYR 59 Ca 0.06 0.19 0.11 0.00 1.88 0.00 0.00 57.90 60.14 2dxb n TYR 59 Cb 0.22 -0.81 -0.06 0.00 -0.38 0.00 0.00 39.34 38.32 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 -1.90 0.10 -1.67 -3.48 -2.24 -0.70 -4.91 114.28 99.49 2dxb n THR 60 Ca 0.01 -0.27 -0.46 0.00 -2.27 0.00 0.00 64.05 61.06 2dxb n THR 60 Cb 0.09 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.96 2.13 -0.83 -0.78 5.12 -0.80 -1.58 116.66 117.96 2dxb n ARG 61 Ca 0.01 0.77 0.00 0.00 -1.93 0.00 0.00 57.85 56.69 2dxb n ARG 61 Cb 0.45 -2.52 0.00 0.00 -1.16 0.00 0.00 32.46 29.24 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 3.20 0.72 3.89 -0.13 0.00 0.18 -4.98 105.19 108.07 2dxb n GLY 62 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.06 3.40 -0.12 4.61 0.00 -0.61 -4.75 121.76 121.23 2dxb s ALA 63 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 2dxb s ALA 63 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 2dxb s ALA 63 CO 0.00 -0.08 -0.08 0.99 0.00 0.00 0.00 175.76 176.58 2dxb s THR 64 N -2.45 3.49 0.29 0.00 2.01 -1.26 -1.35 115.64 116.37 2dxb s THR 64 Ca 0.49 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 62.02 2dxb s THR 64 Cb -0.10 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 2dxb s THR 64 CO 0.35 0.53 0.17 0.61 -0.69 0.00 0.00 174.62 175.59 2dxb n GLY 65 N 3.22 3.30 3.28 4.40 0.00 0.62 -4.68 105.19 115.33 2dxb n GLY 65 Ca -0.18 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.89 2.39 -0.02 2.61 2.01 -0.39 -1.07 115.64 118.28 2dxb s THR 66 Ca 0.23 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 2dxb s THR 66 Cb 0.01 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 2dxb s THR 66 CO 0.17 0.55 1.27 -0.63 -0.69 0.00 0.00 174.62 175.29 2dxb s ILE 67 N 0.26 4.02 -0.45 1.82 1.01 -0.55 -0.97 121.20 126.34 2dxb s ILE 67 Ca -0.14 1.39 0.07 0.00 0.00 0.00 0.00 60.65 61.96 2dxb s ILE 67 Cb -0.17 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2dxb s ILE 67 CO 0.07 0.02 0.39 1.33 0.00 0.00 0.00 174.94 176.74 2dxb n VAL 68 N 4.52 0.00 -3.63 2.92 0.24 -0.09 -0.65 118.33 121.64 2dxb n VAL 68 Ca 0.11 -0.39 -0.06 0.00 -2.04 0.00 0.00 64.34 61.97 2dxb n VAL 68 Cb 0.45 1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 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 -1.35 0.27 -0.61 7.34 3.52 -1.21 -4.91 118.95 122.00 2dxb s ARG 69 Ca 0.04 0.22 -0.16 0.00 -0.13 0.00 0.00 55.73 55.69 2dxb s ARG 69 Cb 0.05 0.13 0.14 0.00 -1.56 0.00 0.00 34.95 33.71 2dxb s ARG 69 CO 0.22 -0.05 0.60 -0.51 -0.81 0.00 0.00 175.30 174.75 2dxb s LEU 70 N -0.30 6.08 0.16 -0.88 1.02 -1.26 -0.40 118.68 123.09 2dxb s LEU 70 Ca 0.05 -1.86 -0.10 0.00 0.02 0.00 0.00 54.13 52.24 2dxb s LEU 70 Cb -0.03 -2.23 0.02 0.00 0.02 0.00 0.00 46.19 43.96 2dxb s LEU 70 CO -0.09 -0.88 1.57 -0.37 0.02 0.00 0.00 176.35 176.60 2dxb h VAL 71 N 5.72 1.27 0.00 -1.59 -1.51 -1.83 -3.49 116.25 114.83 2dxb h VAL 71 Ca -0.22 -1.29 0.00 0.00 -1.23 0.00 0.00 66.70 63.96 2dxb h VAL 71 Cb 1.09 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 2dxb h VAL 71 CO 1.01 0.45 0.00 0.00 -1.23 0.00 0.00 177.57 177.80 2dxb n TYR 72 N -4.17 0.00 -4.91 5.19 0.18 -1.25 -5.05 117.16 107.15 2dxb n TYR 72 Ca 0.01 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.47 2dxb n TYR 72 Cb 0.41 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.24 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 -1.94 2.32 -0.19 -3.48 2.02 -1.26 -1.53 118.70 114.63 2dxb s GLU 73 Ca 0.00 -0.81 -0.35 0.00 0.02 0.00 0.00 54.97 53.83 2dxb s GLU 73 Cb 0.00 -2.26 0.14 0.00 0.10 0.00 0.00 34.13 32.11 2dxb s GLU 73 CO 0.00 0.59 1.20 0.45 0.02 0.00 0.00 175.26 177.52 2dxb s SER 74 N -0.89 -0.14 0.60 -0.19 0.15 -0.76 -4.56 113.70 107.91 2dxb s SER 74 Ca 0.12 0.01 -0.18 0.00 0.70 0.00 0.00 55.95 56.60 2dxb s SER 74 Cb -0.10 0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.32 2dxb s SER 74 CO 0.01 -0.24 1.14 -2.84 1.20 0.00 0.00 173.24 172.52 2dxb s PRO 75 N -2.38 3.04 0.50 5.44 0.02 -1.26 -1.35 135.00 139.02 2dxb s PRO 75 Ca 0.09 1.60 -0.21 0.00 0.02 0.00 0.00 61.00 62.49 2dxb s PRO 75 Cb -0.01 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 2dxb s PRO 75 CO -0.05 -1.10 1.17 0.00 -0.33 0.00 0.00 177.00 176.70 2dxb s ALA 76 N -1.92 2.83 0.42 -1.55 0.00 -1.26 -4.78 121.76 115.50 2dxb s ALA 76 Ca 0.72 0.93 0.11 0.00 0.00 0.00 0.00 51.96 53.72 2dxb s ALA 76 Cb -0.24 -3.39 0.95 0.00 0.00 0.00 0.00 23.12 20.43 2dxb s ALA 76 CO 0.33 -0.79 2.00 0.00 0.00 0.00 0.00 175.76 177.31 2dxb h ALA 77 N 1.62 1.89 -0.39 0.00 0.00 -1.98 0.35 119.26 120.76 2dxb h ALA 77 Ca -0.50 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.51 2dxb h ALA 77 Cb 1.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2dxb h ALA 77 CO 0.58 0.02 0.29 0.93 0.00 0.00 0.00 179.25 181.07 2dxb h GLU 78 N 0.48 0.00 0.03 0.00 3.07 -1.90 0.43 114.58 116.69 2dxb h GLU 78 Ca 0.24 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.72 2dxb h GLU 78 Cb 0.32 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.18 2dxb h GLU 78 CO -0.07 0.00 -2.17 -0.25 -1.40 0.00 0.00 179.01 175.13 2dxb n ASP 79 N -4.35 1.99 -0.30 1.42 8.00 -0.04 -4.45 116.55 118.82 2dxb n ASP 79 Ca 0.06 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2dxb n ASP 79 Cb 0.48 -0.73 0.19 0.00 -0.02 0.00 0.00 41.12 41.04 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 -0.43 1.14 0.00 -1.24 4.81 -0.91 0.18 114.58 118.13 2dxb h GLU 80 Ca -0.54 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 2dxb h GLU 80 Cb 1.75 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.87 2dxb h GLU 80 CO -0.16 0.75 0.00 0.00 -0.73 0.00 0.00 179.01 178.87 2dxb n ALA 81 N -2.40 1.40 -1.08 2.92 0.00 0.12 -1.42 120.51 120.05 2dxb n ALA 81 Ca 0.11 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.60 2dxb n ALA 81 Cb 0.05 -1.13 0.12 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.26 0.00 3.72 -0.64 -4.98 117.46 112.84 2dxb n PHE 82 Ca 0.02 -0.88 -0.07 0.00 -0.05 0.00 0.00 57.45 56.47 2dxb n PHE 82 Cb 0.09 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 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 -1.26 0.90 3.21 1.37 0.00 -0.51 -5.01 105.19 103.89 2dxb n GLY 83 Ca 0.14 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.91 5.45 0.00 1.61 0.02 -0.04 -4.91 114.94 114.16 2dxb s ASN 84 Ca 0.00 -1.69 0.03 0.00 -1.02 0.00 0.00 52.86 50.18 2dxb s ASN 84 Cb 0.00 -1.91 0.08 0.00 0.02 0.00 0.00 41.25 39.44 2dxb s ASN 84 CO 0.00 -0.53 1.02 -0.62 0.02 0.00 0.00 177.10 176.99 2dxb n GLU 85 N 4.79 2.53 0.28 -0.60 1.02 -1.26 -3.11 120.64 124.29 2dxb n GLU 85 Ca -0.08 -1.54 0.14 0.00 -0.02 0.00 0.00 57.16 55.66 2dxb n GLU 85 Cb 0.42 -1.08 0.81 0.00 -0.02 0.00 0.00 31.44 31.57 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 0.60 0.00 -5.61 3.49 9.09 -1.98 -3.42 114.58 116.75 2dxb h GLU 86 Ca 0.00 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.76 2dxb h GLU 86 Cb 0.52 0.00 -0.19 0.00 -1.65 0.00 0.00 28.75 27.42 2dxb h GLU 86 CO 0.00 0.07 -0.65 -0.80 0.05 0.00 0.00 179.01 177.68 2dxb s ASN 87 N -6.14 4.93 -0.03 3.06 0.02 -1.26 -5.11 114.94 110.41 2dxb s ASN 87 Ca -0.04 -0.03 0.06 0.00 -1.02 0.00 0.00 52.86 51.83 2dxb s ASN 87 Cb 0.14 -1.61 -0.01 0.00 0.02 0.00 0.00 41.25 39.79 2dxb s ASN 87 CO 0.57 0.26 -0.20 -0.69 0.02 0.00 0.00 177.10 177.06 2dxb s VAL 88 N -0.15 1.58 0.14 1.60 1.01 -1.26 -4.02 120.40 119.30 2dxb s VAL 88 Ca 0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 2dxb s VAL 88 Cb -0.13 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2dxb s VAL 88 CO 0.02 0.45 0.06 -1.83 0.00 0.00 0.00 175.10 173.80 2dxb s GLU 89 N -0.32 0.98 0.39 2.72 -1.05 -0.46 -4.25 118.70 116.71 2dxb s GLU 89 Ca 0.04 -1.47 -0.25 0.00 -0.15 0.00 0.00 54.97 53.14 2dxb s GLU 89 Cb -0.09 0.19 -0.09 0.00 -0.44 0.00 0.00 34.13 33.70 2dxb s GLU 89 CO 0.00 -0.26 1.06 -1.58 0.95 0.00 0.00 175.26 175.43 2dxb s TRP 90 N -4.02 3.27 -0.05 4.83 0.52 -1.26 -1.82 118.94 120.41 2dxb s TRP 90 Ca 0.26 1.64 0.04 0.00 0.02 0.00 0.00 56.10 58.06 2dxb s TRP 90 Cb 0.07 -3.16 -0.02 0.00 -1.15 0.00 0.00 33.47 29.21 2dxb s TRP 90 CO 0.03 -0.68 -0.15 -0.06 0.02 0.00 0.00 176.95 176.11 2dxb s PHE 91 N -1.59 2.69 0.00 -1.98 0.40 -0.59 -0.97 117.98 115.94 2dxb s PHE 91 Ca 0.57 -0.22 0.07 0.00 -0.60 0.00 0.00 56.93 56.75 2dxb s PHE 91 Cb -0.24 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 2dxb s PHE 91 CO 0.30 0.14 -0.22 0.71 0.70 0.00 0.00 175.22 176.85 2dxb s TYR 92 N -0.63 1.97 -0.25 0.36 2.02 -0.47 -2.39 117.35 117.97 2dxb s TYR 92 Ca 0.09 -0.38 -0.18 0.00 -0.37 0.00 0.00 57.07 56.23 2dxb s TYR 92 Cb -0.11 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.18 2dxb s TYR 92 CO 0.01 0.01 0.53 0.45 -1.57 0.00 0.00 175.55 174.97 2dxb s SER 93 N -0.73 6.48 -0.06 2.29 0.15 0.46 -1.24 113.70 121.05 2dxb s SER 93 Ca 0.09 0.58 0.04 0.00 0.70 0.00 0.00 55.95 57.35 2dxb s SER 93 Cb -0.09 -2.29 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 2dxb s SER 93 CO -0.00 -0.27 -0.19 -0.63 1.20 0.00 0.00 173.24 173.36 2dxb s ILE 94 N 2.16 2.65 -0.19 6.45 1.01 0.55 -0.91 121.20 132.93 2dxb s ILE 94 Ca 0.22 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 2dxb s ILE 94 Cb -0.16 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 2dxb s ILE 94 CO 0.09 0.57 0.01 -0.69 0.00 0.00 0.00 174.94 174.92 2dxb s VAL 95 N -0.33 4.13 0.05 2.92 1.01 -0.15 -1.66 120.40 126.37 2dxb s VAL 95 Ca 0.02 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2dxb s VAL 95 Cb -0.13 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2dxb s VAL 95 CO 0.02 0.44 -0.11 -0.36 0.00 0.00 0.00 175.10 175.10 2dxb s PHE 96 N 0.77 2.75 0.05 5.22 0.08 0.74 -1.27 117.98 126.32 2dxb s PHE 96 Ca 0.01 -0.14 -0.29 0.00 0.12 0.00 0.00 56.93 56.63 2dxb s PHE 96 Cb -0.14 -1.51 -0.05 0.00 -0.57 0.00 0.00 43.02 40.75 2dxb s PHE 96 CO 0.02 0.36 0.93 0.00 -0.10 0.00 0.00 175.22 176.43 2dxb s ALA 97 N -1.05 3.23 0.33 5.36 0.00 -1.26 -1.18 121.76 127.19 2dxb s ALA 97 Ca 0.18 0.51 0.06 0.00 0.00 0.00 0.00 51.96 52.71 2dxb s ALA 97 Cb -0.11 -3.26 0.72 0.00 0.00 0.00 0.00 23.12 20.48 2dxb s ALA 97 CO 0.09 -0.10 1.87 1.96 0.00 0.00 0.00 175.76 179.58 2dxb h GLN 98 N 6.11 0.78 0.00 0.00 1.08 -1.66 -0.78 115.11 120.63 2dxb h GLN 98 Ca -0.42 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 56.72 2dxb h GLN 98 Cb 1.21 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2dxb h GLN 98 CO 0.73 0.52 -0.06 1.57 -0.95 0.00 0.00 178.83 180.64 2dxb h LYS 99 N 0.80 0.00 0.00 1.46 2.10 -1.82 -0.65 116.57 118.46 2dxb h LYS 99 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 2dxb h LYS 99 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2dxb h LYS 99 CO -0.21 0.06 -0.05 -0.44 -2.00 0.00 0.00 179.45 176.81 2dxb h ASP 100 N 0.00 0.00 0.05 7.07 3.32 -1.53 -3.34 116.42 121.98 2dxb h ASP 100 Ca -0.00 -0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.69 2dxb h ASP 100 Cb 0.20 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2dxb h ASP 100 CO 0.01 0.00 -1.98 0.18 -1.72 0.00 0.00 179.24 175.73 2dxb n LEU 101 N -2.85 2.39 -4.11 1.55 4.77 -0.39 -4.88 117.00 113.48 2dxb n LEU 101 Ca 0.04 0.22 -0.33 0.00 -0.03 0.00 0.00 56.01 55.91 2dxb n LEU 101 Cb 0.50 -0.99 -0.15 0.00 -2.33 0.00 0.00 43.42 40.45 2dxb n LEU 101 CO 0.33 0.67 -0.44 0.26 -1.33 0.00 0.00 177.39 176.88 2dxb s TRP 102 N -2.49 3.17 0.36 -1.77 0.52 -0.41 -5.01 118.94 113.31 2dxb s TRP 102 Ca -0.29 -2.04 0.14 0.00 0.02 0.00 0.00 56.10 53.92 2dxb s TRP 102 Cb 0.08 -1.98 0.99 0.00 -1.15 0.00 0.00 33.47 31.41 2dxb s TRP 102 CO 0.64 -0.84 1.75 -1.35 0.02 0.00 0.00 176.95 177.18 2dxb h PRO 103 N 7.87 0.48 -0.00 4.98 0.11 -1.87 -1.34 132.00 142.22 2dxb h PRO 103 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2dxb h PRO 103 Cb 1.07 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2dxb h PRO 103 CO 0.51 0.32 -0.00 -0.85 -0.21 0.00 0.00 178.00 177.77 2dxb n GLU 104 N -4.75 0.63 -1.68 1.05 0.00 -1.26 -4.91 120.64 109.72 2dxb n GLU 104 Ca 0.26 -0.01 -0.45 0.00 0.00 0.00 0.00 57.16 56.96 2dxb n GLU 104 Cb 0.81 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.71 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 -1.17 2.32 -2.26 -1.84 9.36 -0.51 -4.91 117.16 118.15 2dxb n TYR 105 Ca 0.18 0.30 -0.41 0.00 3.32 0.00 0.00 57.90 61.29 2dxb n TYR 105 Cb 0.20 -2.53 -0.03 0.00 -0.63 0.00 0.00 39.34 36.35 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 0.69 6.97 0.33 2.98 0.15 -1.26 -4.91 113.70 118.65 2dxb s SER 106 Ca 0.74 2.50 0.26 0.00 0.70 0.00 0.00 55.95 60.14 2dxb s SER 106 Cb -0.64 -2.64 1.11 0.00 -1.71 0.00 0.00 66.02 62.14 2dxb s SER 106 CO 0.42 -0.38 1.77 0.44 1.20 0.00 0.00 173.24 176.69 2dxb h ASP 107 N 3.77 0.00 0.36 5.45 3.32 -1.99 -2.07 116.42 125.25 2dxb h ASP 107 Ca -0.48 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 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 0.67 0.00 -0.26 0.74 -1.72 0.00 0.00 179.24 178.68 2dxb h THR 108 N 0.00 1.02 -1.73 0.35 2.02 -2.01 -2.87 112.91 109.69 2dxb h THR 108 Ca 0.00 -0.93 -0.64 0.00 0.77 0.00 0.00 66.41 65.61 2dxb h THR 108 Cb 0.34 1.52 -0.38 0.00 -1.74 0.00 0.00 68.15 67.89 2dxb h THR 108 CO 0.00 0.25 -0.20 0.49 0.37 0.00 0.00 175.52 176.43 2dxb n PHE 109 N -3.99 3.34 0.30 3.16 3.72 -0.78 -4.84 117.46 118.37 2dxb n PHE 109 Ca -0.02 -2.97 0.14 0.00 -0.05 0.00 0.00 57.45 54.55 2dxb n PHE 109 Cb 0.33 -0.44 0.62 0.00 -0.94 0.00 0.00 39.48 39.05 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 2.77 1.00 -0.01 4.37 0.00 -1.60 -2.92 119.26 122.88 2dxb h ALA 110 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2dxb h ALA 110 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2dxb h ALA 110 CO 1.01 0.00 -0.48 0.09 0.00 0.00 0.00 179.25 179.87 2dxb n ASN 111 N -2.45 1.05 -4.77 0.00 3.02 -1.26 -4.91 115.26 105.93 2dxb n ASN 111 Ca 0.00 -0.84 -0.40 0.00 -0.03 0.00 0.00 54.58 53.32 2dxb n ASN 111 Cb 0.17 0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 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 -2.71 6.22 0.29 6.41 1.01 -1.10 -4.95 116.67 121.84 2dxb s ASP 112 Ca 0.17 2.86 0.03 0.00 0.71 0.00 0.00 52.55 56.32 2dxb s ASP 112 Cb 0.18 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2dxb s ASP 112 CO 0.63 -0.93 0.19 0.42 0.21 0.00 0.00 175.17 175.68 2dxb s THR 113 N -1.19 0.17 -0.04 -1.27 -4.23 -1.26 -1.77 115.64 106.04 2dxb s THR 113 Ca 0.56 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2dxb s THR 113 Cb -0.43 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 70.95 2dxb s THR 113 CO 0.56 0.00 0.08 -0.22 -0.54 0.00 0.00 174.62 174.50 2dxb s LEU 114 N -3.33 0.78 -0.06 4.79 0.20 -0.32 -4.80 118.68 115.92 2dxb s LEU 114 Ca 0.37 0.16 0.05 0.00 0.69 0.00 0.00 54.13 55.40 2dxb s LEU 114 Cb 0.05 0.10 -0.02 0.00 -0.43 0.00 0.00 46.19 45.89 2dxb s LEU 114 CO 0.19 -0.16 -0.21 -0.70 -0.29 0.00 0.00 176.35 175.19 2dxb s GLU 115 N 1.30 2.64 0.25 1.98 2.12 -1.26 -0.19 118.70 125.55 2dxb s GLU 115 Ca -0.07 -0.83 -0.16 0.00 0.36 0.00 0.00 54.97 54.27 2dxb s GLU 115 Cb -0.12 -2.27 0.01 0.00 0.26 0.00 0.00 34.13 32.00 2dxb s GLU 115 CO -0.04 0.42 0.57 -0.08 -0.54 0.00 0.00 175.26 175.59 2dxb s THR 116 N -0.24 0.00 -0.09 -1.70 -1.32 -0.67 -4.97 115.64 106.66 2dxb s THR 116 Ca -0.01 -1.18 -0.01 0.00 -1.21 0.00 0.00 61.69 59.29 2dxb s THR 116 Cb -0.13 -2.04 -0.03 0.00 -1.51 0.00 0.00 72.50 68.78 2dxb s THR 116 CO 0.03 -0.02 -0.02 -1.61 -2.21 0.00 0.00 174.62 170.79 2dxb s GLU 117 N -3.96 2.98 -0.01 7.08 2.02 -1.26 -0.33 118.70 125.21 2dxb s GLU 117 Ca 0.16 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.70 2dxb s GLU 117 Cb -0.03 -2.75 0.02 0.00 0.10 0.00 0.00 34.13 31.47 2dxb s GLU 117 CO 0.07 0.65 0.01 0.42 0.02 0.00 0.00 175.26 176.43 2dxb s ILE 118 N -0.74 0.01 0.61 -1.63 1.01 -0.37 -4.93 121.20 115.15 2dxb s ILE 118 Ca 0.11 0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.70 2dxb s ILE 118 Cb -0.11 -0.08 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 2dxb s ILE 118 CO 0.02 0.06 1.08 -2.16 0.00 0.00 0.00 174.94 173.94 2dxb s PRO 119 N 0.59 3.16 0.37 2.79 0.04 -1.26 -1.36 135.00 139.33 2dxb s PRO 119 Ca -0.05 1.31 0.16 0.00 0.04 0.00 0.00 61.00 62.45 2dxb s PRO 119 Cb -0.07 -2.00 1.05 0.00 0.04 0.00 0.00 34.50 33.51 2dxb s PRO 119 CO -0.02 -0.95 1.73 1.49 0.04 0.00 0.00 177.00 179.30 2dxb h GLU 120 N 0.40 0.41 -0.23 4.56 4.81 -1.40 -2.28 114.58 120.86 2dxb h GLU 120 Ca -0.47 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 58.80 2dxb h GLU 120 Cb 1.23 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2dxb h GLU 120 CO 0.56 0.27 0.26 0.07 -0.73 0.00 0.00 179.01 179.45 2dxb h ARG 121 N 0.43 0.00 -0.01 1.92 0.11 -1.92 -1.39 114.38 113.52 2dxb h ARG 121 Ca 0.65 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.73 2dxb h ARG 121 Cb 1.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.60 2dxb h ARG 121 CO -0.40 0.00 -0.20 0.66 0.10 0.00 0.00 179.97 180.13 2dxb n TYR 122 N -3.77 0.00 -4.00 4.08 4.01 -0.86 -4.91 117.16 111.72 2dxb n TYR 122 Ca 0.03 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.42 2dxb n TYR 122 Cb 0.40 -0.13 -0.06 0.00 -0.31 0.00 0.00 39.34 39.24 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 -2.46 4.17 -0.03 7.72 1.43 -0.52 0.29 118.68 129.28 2dxb s LEU 123 Ca 0.26 0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 53.63 2dxb s LEU 123 Cb 0.20 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 44.15 2dxb s LEU 123 CO 0.49 0.32 0.11 -1.83 0.23 0.00 0.00 176.35 175.68 2dxb s GLU 124 N -1.49 0.24 0.25 1.70 -1.05 -1.01 -4.94 118.70 112.39 2dxb s GLU 124 Ca 0.21 -0.05 -0.31 0.00 -0.15 0.00 0.00 54.97 54.67 2dxb s GLU 124 Cb -0.12 0.10 -0.13 0.00 -0.44 0.00 0.00 34.13 33.54 2dxb s GLU 124 CO 0.11 -0.04 1.46 1.17 0.95 0.00 0.00 175.26 178.90 2dxb n LYS 125 N 2.50 2.18 0.00 -4.83 4.81 -1.26 -0.95 118.16 120.60 2dxb n LYS 125 Ca -0.16 0.77 0.14 0.00 -0.87 0.00 0.00 58.31 58.20 2dxb n LYS 125 Cb 0.58 -2.46 0.62 0.00 0.02 0.00 0.00 35.03 33.78 2dxb n LYS 125 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57