#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfx h LEU 4 N 0.00 0.00-10.37 -0.35 4.07 -1.90 -3.46 115.31 103.29 2dfx h LEU 4 Ca 0.00 -0.04 -0.53 0.00 0.08 0.00 0.00 57.88 57.39 2dfx h LEU 4 Cb 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2dfx h LEU 4 CO 0.00 0.02 -0.27 0.72 -1.08 0.00 0.00 178.44 177.82 2dfx s PHE 5 N -3.24 1.89 -0.15 1.13 -0.71 -1.26 -5.00 117.98 110.65 2dfx s PHE 5 Ca 0.05 -0.71 -0.06 0.00 -1.04 0.00 0.00 56.93 55.17 2dfx s PHE 5 Cb 0.09 -2.07 -0.04 0.00 -1.21 0.00 0.00 43.02 39.79 2dfx s PHE 5 CO 0.71 -0.54 0.05 -1.21 -1.34 0.00 0.00 175.22 172.89 2dfx s GLU 6 N -4.33 3.64 0.25 1.99 0.41 -1.26 -4.98 118.70 114.41 2dfx s GLU 6 Ca 0.45 -0.34 0.25 0.00 -0.41 0.00 0.00 54.97 54.92 2dfx s GLU 6 Cb -0.03 -3.08 0.88 0.00 -1.78 0.00 0.00 34.13 30.11 2dfx s GLU 6 CO 0.28 0.45 1.75 0.45 -0.49 0.00 0.00 175.26 177.70 2dfx h HIS 7 N 6.07 0.00 -0.21 1.61 3.86 -1.99 -2.99 115.15 121.50 2dfx h HIS 7 Ca -0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 2dfx h HIS 7 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2dfx h HIS 7 CO 0.60 0.00 0.00 0.25 0.86 0.00 0.00 177.93 179.64 2dfx n THR 8 N -2.32 0.27 -5.13 2.45 -2.24 -1.26 -4.73 114.28 101.31 2dfx n THR 8 Ca 0.04 -0.36 -0.32 0.00 -2.27 0.00 0.00 64.05 61.15 2dfx n THR 8 Cb 0.35 0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.71 2dfx n THR 8 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2dfx s VAL 9 N -1.73 2.42 -0.54 2.28 1.01 -1.13 -4.85 120.40 117.86 2dfx s VAL 9 Ca 0.29 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2dfx s VAL 9 Cb 0.15 -1.90 0.11 0.00 0.00 0.00 0.00 36.38 34.74 2dfx s VAL 9 CO 0.22 0.58 0.55 -0.22 0.00 0.00 0.00 175.10 176.23 2dfx s LEU 10 N -0.41 5.80 0.19 3.92 2.96 -1.26 -4.58 118.68 125.30 2dfx s LEU 10 Ca 0.04 -1.56 -0.31 0.00 -0.22 0.00 0.00 54.13 52.08 2dfx s LEU 10 Cb -0.12 -2.25 -0.09 0.00 0.50 0.00 0.00 46.19 44.23 2dfx s LEU 10 CO 0.02 -0.90 1.43 -0.31 -1.32 0.00 0.00 176.35 175.26 2dfx s TYR 11 N 1.98 3.13 -0.76 5.38 2.02 -0.81 -4.74 117.35 123.55 2dfx s TYR 11 Ca 0.06 0.97 0.14 0.00 -0.37 0.00 0.00 57.07 57.87 2dfx s TYR 11 Cb -0.27 -3.76 0.43 0.00 -0.40 0.00 0.00 41.96 37.96 2dfx s TYR 11 CO 0.05 -2.59 1.36 -3.47 -1.57 0.00 0.00 175.55 169.33 2dfx n ASP 12 N 3.12 3.46 -3.88 2.29 2.03 -1.26 -1.27 116.55 121.04 2dfx n ASP 12 Ca 0.09 -2.36 -0.21 0.00 0.52 0.00 0.00 54.79 52.84 2dfx n ASP 12 Cb 0.41 -0.37 -0.17 0.00 -0.72 0.00 0.00 41.12 40.27 2dfx n ASP 12 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2dfx s SER 13 N -1.27 1.10 0.52 1.67 0.15 -1.26 -4.33 113.70 110.28 2dfx s SER 13 Ca 0.33 -0.13 0.22 0.00 0.70 0.00 0.00 55.95 57.07 2dfx s SER 13 Cb 0.21 -0.47 1.39 0.00 -1.71 0.00 0.00 66.02 65.45 2dfx s SER 13 CO 0.15 -0.07 2.12 1.23 1.20 0.00 0.00 173.24 177.87 2dfx h GLY 14 N 7.37 0.00 1.61 9.45 0.00 -1.89 -2.46 103.07 117.14 2dfx h GLY 14 Ca -0.35 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2dfx h GLY 14 CO 0.44 0.00 0.17 -0.55 0.00 0.00 0.00 176.54 176.60 2dfx h ASP 15 N 0.00 0.46 -0.59 0.19 3.32 -1.93 -2.23 116.42 115.64 2dfx h ASP 15 Ca -0.00 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.03 2dfx h ASP 15 Cb 0.16 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2dfx h ASP 15 CO 0.01 0.41 0.39 0.00 -1.72 0.00 0.00 179.24 178.33 2dfx h ALA 16 N 1.67 1.62 -0.60 3.45 0.00 -1.87 -1.18 119.26 122.36 2dfx h ALA 16 Ca 0.13 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2dfx h ALA 16 Cb 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2dfx h ALA 16 CO -0.02 0.34 0.35 0.35 0.00 0.00 0.00 179.25 180.27 2dfx h PHE 17 N 0.76 0.65 0.23 0.00 3.04 -1.53 0.00 116.94 120.10 2dfx h PHE 17 Ca 0.22 0.02 -0.34 0.00 3.98 0.00 0.00 57.97 61.86 2dfx h PHE 17 Cb -0.03 -0.21 0.03 0.00 2.56 0.00 0.00 35.95 38.31 2dfx h PHE 17 CO -0.00 0.36 -1.53 0.74 -2.02 0.00 0.00 178.31 175.86 2dfx h PHE 18 N 0.68 0.90 -0.55 0.41 -1.00 -1.53 0.11 116.94 115.96 2dfx h PHE 18 Ca 0.25 -0.66 -0.11 0.00 2.81 0.00 0.00 57.97 60.27 2dfx h PHE 18 Cb 0.06 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 2dfx h PHE 18 CO -0.06 1.57 -0.07 0.93 -1.61 0.00 0.00 178.31 179.06 2dfx h GLU 19 N 0.13 1.01 -0.66 1.51 5.08 -1.16 -3.12 114.58 117.37 2dfx h GLU 19 Ca -0.27 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 57.74 2dfx h GLU 19 Cb 2.15 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.32 2dfx h GLU 19 CO 0.25 1.03 0.00 1.28 -1.00 0.00 0.00 179.01 180.57 2dfx n LEU 20 N -4.16 4.59 -3.65 1.33 4.77 -0.02 -4.99 117.00 114.87 2dfx n LEU 20 Ca 0.02 -2.36 -0.30 0.00 -0.03 0.00 0.00 56.01 53.34 2dfx n LEU 20 Cb 0.38 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 40.96 2dfx n LEU 20 CO 0.45 0.85 -0.07 0.29 -1.33 0.00 0.00 177.39 177.58 2dfx n LYS 21 N 1.20 -1.36 -0.23 3.23 4.76 -1.04 -4.24 118.16 120.49 2dfx n LYS 21 Ca 0.25 0.49 0.06 0.00 -2.87 0.00 0.00 58.31 56.24 2dfx n LYS 21 Cb 0.83 -4.27 0.17 0.00 -1.84 0.00 0.00 35.03 29.92 2dfx n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dfx n GLY 22 N -1.65 0.99 3.58 0.72 0.00 0.36 -4.88 105.19 104.31 2dfx n GLY 22 Ca -0.09 -0.42 -0.52 0.00 0.00 0.00 0.00 46.02 44.99 2dfx n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dfx n ASN 23 N 0.56 1.53 0.00 1.61 4.05 -1.26 -1.09 115.26 120.66 2dfx n ASN 23 Ca 0.13 1.12 0.00 0.00 0.45 0.00 0.00 54.58 56.28 2dfx n ASN 23 Cb 0.38 -1.19 0.00 0.00 1.23 0.00 0.00 39.78 40.21 2dfx n ASN 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2dfx n ALA 24 N 2.31 0.00 0.00 5.20 0.00 0.72 -4.61 120.51 124.13 2dfx n ALA 24 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2dfx n ALA 24 Cb 0.20 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2dfx n ALA 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dfx n SER 25 N -0.54 0.24 -4.75 0.00 2.88 -0.62 -4.91 113.62 105.93 2dfx n SER 25 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 2dfx n SER 25 Cb 0.39 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.84 2dfx n SER 25 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 2dfx s MET 26 N -1.35 4.14 -0.10 -1.46 0.00 -0.25 -4.97 119.30 115.30 2dfx s MET 26 Ca 0.00 2.54 -0.26 0.00 0.00 0.00 0.00 55.69 57.98 2dfx s MET 26 Cb 0.00 -3.02 -0.02 0.00 0.00 0.00 0.00 34.83 31.78 2dfx s MET 26 CO 0.00 -0.59 0.83 0.15 0.00 0.00 0.00 175.02 175.41 2dfx s LYS 27 N -0.76 4.39 -0.01 4.11 3.01 -1.26 -4.45 119.74 124.77 2dfx s LYS 27 Ca 0.61 1.07 0.08 0.00 -1.01 0.00 0.00 55.97 56.72 2dfx s LYS 27 Cb -0.47 -3.51 -0.02 0.00 -1.01 0.00 0.00 37.83 32.82 2dfx s LYS 27 CO 0.50 -0.16 -0.24 -0.51 0.51 0.00 0.00 175.35 175.45 2dfx s LEU 28 N 1.53 2.17 0.84 3.17 1.43 0.85 -1.93 118.68 126.74 2dfx s LEU 28 Ca 0.41 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 2dfx s LEU 28 Cb -0.18 -1.37 0.10 0.00 0.03 0.00 0.00 46.19 44.77 2dfx s LEU 28 CO 0.17 0.31 1.09 -0.94 0.23 0.00 0.00 176.35 177.22 2dfx s SER 29 N -0.74 4.02 0.27 2.29 1.04 -0.40 -0.83 113.70 119.35 2dfx s SER 29 Ca 0.11 1.43 -0.01 0.00 0.48 0.00 0.00 55.95 57.95 2dfx s SER 29 Cb -0.10 -2.14 0.46 0.00 0.10 0.00 0.00 66.02 64.34 2dfx s SER 29 CO -0.00 -2.28 1.86 -0.65 0.98 0.00 0.00 173.24 173.14 2dfx h PRO 30 N -1.30 1.05 -0.33 4.02 0.11 -1.91 0.20 132.00 133.84 2dfx h PRO 30 Ca -0.48 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 2dfx h PRO 30 Cb 1.27 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2dfx h PRO 30 CO 0.56 0.69 0.13 -0.22 -0.21 0.00 0.00 178.00 178.96 2dfx h LYS 31 N 1.08 0.49 -0.48 1.05 3.64 -1.92 -2.52 116.57 117.91 2dfx h LYS 31 Ca 0.45 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.66 2dfx h LYS 31 Cb 0.30 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2dfx h LYS 31 CO -0.21 0.50 -0.03 0.00 -2.27 0.00 0.00 179.45 177.44 2dfx h ALA 32 N 0.97 1.04 -0.61 5.00 0.00 -1.58 -2.21 119.26 121.87 2dfx h ALA 32 Ca 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2dfx h ALA 32 Cb 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2dfx h ALA 32 CO -0.01 0.59 0.36 0.00 0.00 0.00 0.00 179.25 180.20 2dfx h ALA 33 N 1.20 0.78 -0.52 0.00 0.00 -0.82 0.13 119.26 120.04 2dfx h ALA 33 Ca 0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2dfx h ALA 33 Cb 0.50 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2dfx h ALA 33 CO 0.03 0.26 0.17 0.82 0.00 0.00 0.00 179.25 180.53 2dfx h ILE 34 N 0.83 1.23 -0.94 0.00 1.08 -1.27 -2.19 117.51 116.25 2dfx h ILE 34 Ca 0.22 -0.76 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 2dfx h ILE 34 Cb -0.01 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 34.44 2dfx h ILE 34 CO -0.04 0.28 0.60 -0.33 -0.69 0.00 0.00 178.15 177.97 2dfx h GLU 35 N 0.71 1.26 -0.73 2.37 5.08 -0.83 -1.81 114.58 120.63 2dfx h GLU 35 Ca 0.17 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2dfx h GLU 35 Cb 0.26 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2dfx h GLU 35 CO -0.01 0.85 0.27 0.28 -1.00 0.00 0.00 179.01 179.41 2dfx h VAL 36 N 1.29 1.25 -0.70 3.13 2.07 -0.70 -1.49 116.25 121.10 2dfx h VAL 36 Ca 0.34 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 2dfx h VAL 36 Cb -0.11 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 2dfx h VAL 36 CO -0.07 0.33 0.35 0.00 0.02 0.00 0.00 177.57 178.20 2dfx h ASN 38 N 0.98 1.03 -0.35 0.00 -0.26 -1.07 -2.39 115.58 113.53 2dfx h ASN 38 Ca 0.24 -0.29 -0.09 0.00 -0.56 0.00 0.00 56.30 55.60 2dfx h ASN 38 Cb 0.10 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.07 2dfx h ASN 38 CO -0.03 1.07 -0.11 -0.33 -1.06 0.00 0.00 177.43 176.97 2dfx h GLU 39 N 0.96 0.78 -0.62 0.81 4.39 -0.98 -2.21 114.58 117.72 2dfx h GLU 39 Ca 0.18 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2dfx h GLU 39 Cb 0.52 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2dfx h GLU 39 CO 0.03 0.86 0.39 0.00 -1.16 0.00 0.00 179.01 179.13 2dfx h ALA 40 N 1.17 0.79 -0.57 3.43 0.00 -0.70 -0.40 119.26 122.98 2dfx h ALA 40 Ca 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2dfx h ALA 40 Cb 0.59 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2dfx h ALA 40 CO 0.04 0.25 0.18 0.00 0.00 0.00 0.00 179.25 179.71 2dfx h ALA 41 N 1.21 0.75 -0.33 0.00 0.00 -1.22 0.18 119.26 119.84 2dfx h ALA 41 Ca 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2dfx h ALA 41 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2dfx h ALA 41 CO -0.05 0.41 0.11 -0.22 0.00 0.00 0.00 179.25 179.51 2dfx h LYS 42 N 0.80 0.47 -0.00 0.00 3.64 -0.92 -1.96 116.57 118.60 2dfx h LYS 42 Ca 0.18 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2dfx h LYS 42 Cb 0.28 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2dfx h LYS 42 CO -0.01 0.41 -0.30 1.63 -2.27 0.00 0.00 179.45 178.92 2dfx n LYS 43 N -4.39 0.53 -2.14 1.90 5.02 -0.20 -4.95 118.16 113.93 2dfx n LYS 43 Ca 0.02 -0.28 -0.04 0.00 -2.02 0.00 0.00 58.31 55.99 2dfx n LYS 43 Cb 0.15 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2dfx n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dfx n GLY 44 N 1.39 0.27 3.78 0.72 0.00 -0.24 -5.04 105.19 106.06 2dfx n GLY 44 Ca 0.10 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 2dfx n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dfx s LEU 45 N -1.18 4.01 0.11 0.99 1.43 0.47 -5.01 118.68 119.50 2dfx s LEU 45 Ca 0.01 0.30 -0.25 0.00 -1.03 0.00 0.00 54.13 53.16 2dfx s LEU 45 Cb -0.01 -1.96 -0.07 0.00 0.03 0.00 0.00 46.19 44.19 2dfx s LEU 45 CO 0.01 0.37 0.77 0.86 0.23 0.00 0.00 176.35 178.59 2dfx s TRP 46 N -0.81 3.83 -0.43 0.29 -0.11 -1.26 -4.36 118.94 116.09 2dfx s TRP 46 Ca 0.13 1.56 -0.19 0.00 1.22 0.00 0.00 56.10 58.82 2dfx s TRP 46 Cb -0.12 -2.78 0.02 0.00 -1.50 0.00 0.00 33.47 29.09 2dfx s TRP 46 CO 0.03 0.41 0.56 0.42 -4.62 0.00 0.00 176.95 173.75 2dfx s ILE 47 N -0.68 4.94 0.10 5.86 1.01 -1.26 -1.27 121.20 129.90 2dfx s ILE 47 Ca 0.37 -0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.91 2dfx s ILE 47 Cb -0.22 -4.14 -0.24 0.00 0.01 0.00 0.00 42.46 37.87 2dfx s ILE 47 CO 0.25 -0.52 1.22 -0.07 0.00 0.00 0.00 174.94 175.81 2dfx h LEU 48 N 9.43 0.40 -7.03 2.97 3.38 -1.34 -3.41 115.31 119.70 2dfx h LEU 48 Ca -0.26 -0.39 0.14 0.00 0.09 0.00 0.00 57.88 57.47 2dfx h LEU 48 Cb 1.10 -0.13 -0.16 0.00 0.09 0.00 0.00 40.66 41.57 2dfx h LEU 48 CO 0.85 1.26 0.56 -0.83 0.09 0.00 0.00 178.44 180.37 2dfx s GLY 49 N -4.59 -0.42 -0.03 0.83 0.00 -0.98 -1.05 107.32 101.07 2dfx s GLY 49 Ca -0.04 1.08 -0.00 0.00 0.00 0.00 0.00 44.72 45.75 2dfx s GLY 49 CO 0.87 0.35 0.01 -0.42 0.00 0.00 0.00 173.10 173.92 2dfx s ILE 50 N -2.99 0.12 -0.16 0.90 1.01 -0.59 -1.02 121.20 118.47 2dfx s ILE 50 Ca 0.06 0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.84 2dfx s ILE 50 Cb -0.01 -0.25 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 2dfx s ILE 50 CO -0.08 0.15 -0.07 -1.81 0.00 0.00 0.00 174.94 173.14 2dfx s ASP 51 N 1.29 4.45 0.17 3.58 -0.00 -0.27 -0.51 116.67 125.39 2dfx s ASP 51 Ca -0.06 -0.24 0.05 0.00 -0.00 0.00 0.00 52.55 52.30 2dfx s ASP 51 Cb -0.13 -1.72 -0.04 0.00 -0.00 0.00 0.00 42.92 41.03 2dfx s ASP 51 CO -0.02 0.13 0.12 -0.83 -0.00 0.00 0.00 175.17 174.57 2dfx s GLY 52 N 0.57 1.71 0.00 0.21 0.00 -1.25 -1.38 107.32 107.18 2dfx s GLY 52 Ca -0.05 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.44 2dfx s GLY 52 CO 0.03 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.50 2dfx n GLY 53 N -0.33 1.90 3.19 0.20 0.00 -0.42 -1.82 105.19 107.90 2dfx n GLY 53 Ca -0.08 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 2dfx n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dfx s HIS 54 N -2.53 1.88 -0.20 1.61 3.76 -0.73 -1.79 115.29 117.29 2dfx s HIS 54 Ca 0.00 -0.47 -0.21 0.00 -0.15 0.00 0.00 55.06 54.23 2dfx s HIS 54 Cb 0.00 -1.24 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 2dfx s HIS 54 CO 0.00 -0.12 0.63 -0.46 -0.85 0.00 0.00 174.74 173.94 2dfx s TRP 55 N -0.21 3.37 -2.55 1.40 -0.11 -1.26 -1.95 118.94 117.63 2dfx s TRP 55 Ca 0.01 0.92 0.24 0.00 1.22 0.00 0.00 56.10 58.49 2dfx s TRP 55 Cb -0.10 -2.81 0.66 0.00 -1.50 0.00 0.00 33.47 29.72 2dfx s TRP 55 CO 0.01 -0.19 1.52 1.28 -4.62 0.00 0.00 176.95 174.95 2dfx n LEU 56 N 5.11 2.23 -3.40 5.86 4.32 0.18 -4.97 117.00 126.33 2dfx n LEU 56 Ca -0.01 -0.84 -0.11 0.00 -0.02 0.00 0.00 56.01 55.02 2dfx n LEU 56 Cb 0.50 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 2dfx n LEU 56 CO 0.44 0.42 0.07 -3.20 -1.22 0.00 0.00 177.39 173.90 2dfx n ASN 57 N 0.71 -6.42 -5.03 -1.43 4.05 -1.26 -4.73 115.26 101.14 2dfx n ASN 57 Ca 0.17 -0.49 -0.20 0.00 0.45 0.00 0.00 54.58 54.51 2dfx n ASN 57 Cb 0.45 -3.61 0.07 0.00 1.23 0.00 0.00 39.78 37.91 2dfx n ASN 57 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2dfx s PRO 58 N -3.91 2.23 0.00 1.20 0.04 -1.26 -5.20 135.00 128.10 2dfx s PRO 58 Ca 0.00 -1.72 0.00 0.00 0.04 0.00 0.00 61.00 59.32 2dfx s PRO 58 Cb -0.00 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.93 2dfx s PRO 58 CO 0.82 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2dfx n GLY 59 N -2.28 2.97 3.34 0.56 0.00 -1.26 -5.08 105.19 103.44 2dfx n GLY 59 Ca 0.16 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 2dfx n GLY 59 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dfx s PHE 60 N -0.46 2.80 -0.27 1.61 2.19 -1.26 0.50 117.98 123.09 2dfx s PHE 60 Ca 0.00 -0.75 0.02 0.00 0.33 0.00 0.00 56.93 56.52 2dfx s PHE 60 Cb 0.00 -1.86 0.06 0.00 -1.31 0.00 0.00 43.02 39.91 2dfx s PHE 60 CO 0.00 -0.29 -0.08 0.50 1.83 0.00 0.00 175.22 177.18 2dfx s ARG 61 N 0.50 2.28 0.47 10.12 3.52 -0.82 -4.98 118.95 130.04 2dfx s ARG 61 Ca -0.09 -1.34 -0.22 0.00 -0.13 0.00 0.00 55.73 53.95 2dfx s ARG 61 Cb -0.16 -2.98 -0.08 0.00 -1.56 0.00 0.00 34.95 30.18 2dfx s ARG 61 CO 0.04 -0.59 1.11 -1.50 -0.81 0.00 0.00 175.30 173.55 2dfx s ILE 62 N 1.14 3.36 -0.28 4.11 2.07 -1.26 -1.78 121.20 128.56 2dfx s ILE 62 Ca -0.08 0.96 0.03 0.00 -1.41 0.00 0.00 60.65 60.15 2dfx s ILE 62 Cb -0.20 -3.46 0.07 0.00 0.13 0.00 0.00 42.46 39.00 2dfx s ILE 62 CO -0.04 -0.07 -0.06 -0.62 -1.91 0.00 0.00 174.94 172.24 2dfx s ASP 63 N -1.58 4.41 0.59 4.50 3.68 -0.76 -4.94 116.67 122.57 2dfx s ASP 63 Ca 0.65 -1.55 0.29 0.00 2.13 0.00 0.00 52.55 54.07 2dfx s ASP 63 Cb -0.24 -1.48 1.59 0.00 -1.45 0.00 0.00 42.92 41.33 2dfx s ASP 63 CO 0.29 -0.25 2.02 0.77 0.13 0.00 0.00 175.17 178.13 2dfx h SER 64 N 7.77 0.00 0.77 -0.34 4.64 -1.96 -0.37 113.55 124.07 2dfx h SER 64 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2dfx h SER 64 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2dfx h SER 64 CO 0.47 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.89 2dfx n SER 65 N -3.75 0.30 -1.01 4.97 3.41 -1.26 -2.47 113.62 113.81 2dfx n SER 65 Ca 0.04 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 2dfx n SER 65 Cb 0.46 -0.63 0.18 0.00 -0.26 0.00 0.00 64.21 63.95 2dfx n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dfx n ALA 66 N -1.62 2.45 -2.17 7.33 0.00 -0.15 -4.95 120.51 121.40 2dfx n ALA 66 Ca 0.04 -0.80 -0.43 0.00 0.00 0.00 0.00 53.44 52.25 2dfx n ALA 66 Cb 0.25 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 2dfx n ALA 66 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dfx s SER 67 N -1.77 6.78 -0.12 0.00 0.01 -1.03 -3.91 113.70 113.66 2dfx s SER 67 Ca 0.33 2.02 -0.04 0.00 1.31 0.00 0.00 55.95 59.57 2dfx s SER 67 Cb 0.21 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 2dfx s SER 67 CO 0.31 -0.86 0.03 0.86 0.41 0.00 0.00 173.24 174.00 2dfx s TRP 68 N 3.79 3.24 -0.02 2.43 -0.00 0.34 -4.99 118.94 123.73 2dfx s TRP 68 Ca 0.66 0.18 -0.01 0.00 -0.00 0.00 0.00 56.10 56.92 2dfx s TRP 68 Cb -0.29 -1.90 0.01 0.00 -0.00 0.00 0.00 33.47 31.30 2dfx s TRP 68 CO 0.24 0.40 0.04 0.95 -0.00 0.00 0.00 176.95 178.57 2dfx s THR 69 N -0.50 -0.01 -0.32 5.86 -4.23 -1.26 -1.54 115.64 113.63 2dfx s THR 69 Ca 0.10 0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 60.64 2dfx s THR 69 Cb -0.12 -0.07 0.13 0.00 1.34 0.00 0.00 72.50 73.78 2dfx s THR 69 CO 0.02 0.02 0.23 -0.47 -0.54 0.00 0.00 174.62 173.88 2dfx s TYR 70 N 0.24 0.16 0.42 3.99 6.14 -0.21 -5.00 117.35 123.08 2dfx s TYR 70 Ca -0.02 -0.92 -0.27 0.00 0.64 0.00 0.00 57.07 56.50 2dfx s TYR 70 Cb -0.03 -0.73 -0.10 0.00 0.42 0.00 0.00 41.96 41.53 2dfx s TYR 70 CO -0.01 -0.87 1.47 -0.25 0.64 0.00 0.00 175.55 176.53 2dfx n ASP 71 N 4.76 3.58 -4.70 4.32 10.43 -1.26 -4.47 116.55 129.21 2dfx n ASP 71 Ca 0.03 1.17 -0.42 0.00 2.57 0.00 0.00 54.79 58.14 2dfx n ASP 71 Cb 0.42 -1.62 -0.03 0.00 1.84 0.00 0.00 41.12 41.73 2dfx n ASP 71 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 2dfx s MET 72 N -2.30 4.46 0.79 -1.24 -2.45 -1.26 -5.05 119.30 112.25 2dfx s MET 72 Ca 0.57 1.30 -0.12 0.00 -1.25 0.00 0.00 55.69 56.20 2dfx s MET 72 Cb -0.46 -3.51 0.07 0.00 1.25 0.00 0.00 34.83 32.18 2dfx s MET 72 CO 0.60 -0.18 1.12 -1.25 1.05 0.00 0.00 175.02 176.37 2dfx s PRO 73 N 1.54 2.13 0.08 4.11 0.04 -1.26 -4.99 135.00 136.64 2dfx s PRO 73 Ca 0.47 0.40 -0.31 0.00 0.04 0.00 0.00 61.00 61.60 2dfx s PRO 73 Cb -0.19 -1.94 -0.18 0.00 0.04 0.00 0.00 34.50 32.23 2dfx s PRO 73 CO 0.21 -1.54 1.65 0.93 0.04 0.00 0.00 177.00 178.29 2dfx h GLU 74 N -1.02 -0.70 -4.47 4.56 3.07 -2.06 -3.30 114.58 110.66 2dfx h GLU 74 Ca -0.47 0.05 -0.73 0.00 -0.50 0.00 0.00 59.36 57.71 2dfx h GLU 74 Cb 1.29 0.16 -0.21 0.00 -0.84 0.00 0.00 28.75 29.14 2dfx h GLU 74 CO 0.63 -0.47 0.27 -1.21 -1.40 0.00 0.00 179.01 176.83 2dfx s GLU 75 N -6.08 3.35 -0.05 2.33 2.02 -1.26 -4.83 118.70 114.18 2dfx s GLU 75 Ca -0.17 -1.81 0.16 0.00 0.02 0.00 0.00 54.97 53.17 2dfx s GLU 75 Cb 0.04 -4.48 -0.24 0.00 0.10 0.00 0.00 34.13 29.55 2dfx s GLU 75 CO 0.63 -1.51 0.30 2.48 0.02 0.00 0.00 175.26 177.18 2dfx n TYR 76 N 5.58 0.00 -0.29 1.61 0.18 -1.24 -4.67 117.16 118.32 2dfx n TYR 76 Ca 0.06 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.96 2dfx n TYR 76 Cb 0.45 -0.44 0.36 0.00 -0.38 0.00 0.00 39.34 39.33 2dfx n TYR 76 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 2dfx h LYS 77 N 0.00 0.70 0.00 -3.48 1.57 -1.92 0.10 116.57 113.55 2dfx h LYS 77 Ca -0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2dfx h LYS 77 Cb 0.97 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2dfx h LYS 77 CO 0.00 0.47 0.00 0.66 -0.57 0.00 0.00 179.45 180.01 2dfx h SER 78 N 0.73 0.00 -0.02 0.86 4.64 -2.01 -3.17 113.55 114.58 2dfx h SER 78 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2dfx h SER 78 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2dfx h SER 78 CO -0.23 0.00 -0.09 0.29 -0.87 0.00 0.00 176.83 175.92 2dfx n LYS 79 N -2.46 2.00 -0.34 4.77 5.02 0.32 -4.45 118.16 123.02 2dfx n LYS 79 Ca 0.04 -1.59 0.02 0.00 -2.02 0.00 0.00 58.31 54.75 2dfx n LYS 79 Cb 0.39 -1.47 0.16 0.00 -0.02 0.00 0.00 35.03 34.09 2dfx n LYS 79 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2dfx h ILE 80 N 3.89 1.05 -0.88 -0.18 2.04 -1.42 -0.77 117.51 121.24 2dfx h ILE 80 Ca 0.00 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.53 2dfx h ILE 80 Cb 0.88 -0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2dfx h ILE 80 CO 0.00 0.19 0.57 -0.65 0.00 0.00 0.00 178.15 178.26 2dfx h PRO 81 N 1.06 1.06 -0.39 2.37 0.11 -1.84 0.18 132.00 134.55 2dfx h PRO 81 Ca 0.40 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.32 2dfx h PRO 81 Cb 0.18 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 2dfx h PRO 81 CO -0.18 0.70 -0.26 1.49 -0.21 0.00 0.00 178.00 179.54 2dfx h GLU 82 N 1.09 0.86 -0.39 1.05 4.81 -1.69 -0.04 114.58 120.29 2dfx h GLU 82 Ca 0.35 -0.41 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2dfx h GLU 82 Cb 0.02 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2dfx h GLU 82 CO -0.12 1.05 0.23 -0.97 -0.73 0.00 0.00 179.01 178.47 2dfx h ASN 83 N 0.67 0.37 -0.36 1.04 -1.24 -0.66 -0.60 115.58 114.81 2dfx h ASN 83 Ca 0.08 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.04 2dfx h ASN 83 Cb 0.83 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.79 2dfx h ASN 83 CO 0.07 0.27 0.05 -1.13 -1.29 0.00 0.00 177.43 175.40 2dfx h ASN 84 N 0.46 0.59 -0.06 1.15 -0.73 -0.88 -1.52 115.58 114.59 2dfx h ASN 84 Ca 0.15 -0.27 0.01 0.00 1.87 0.00 0.00 56.30 58.06 2dfx h ASN 84 Cb 0.00 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 2dfx h ASN 84 CO -0.07 0.71 -0.00 -0.09 -0.37 0.00 0.00 177.43 177.61 2dfx h ARG 85 N 0.45 0.02 -0.35 6.67 2.43 -0.71 -1.99 114.38 120.90 2dfx h ARG 85 Ca 0.11 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2dfx h ARG 85 Cb 0.38 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2dfx h ARG 85 CO 0.01 0.01 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.38 2dfx h LEU 86 N 0.02 0.52 -0.33 3.80 3.38 -1.06 -1.64 115.31 120.00 2dfx h LEU 86 Ca 0.03 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2dfx h LEU 86 Cb 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2dfx h LEU 86 CO -0.05 0.62 0.04 0.00 0.09 0.00 0.00 178.44 179.14 2dfx h ALA 87 N 1.45 0.44 -0.51 1.53 0.00 -0.97 -0.97 119.26 120.22 2dfx h ALA 87 Ca 0.11 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2dfx h ALA 87 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2dfx h ALA 87 CO 0.02 0.15 -0.06 0.82 0.00 0.00 0.00 179.25 180.18 2dfx h ILE 88 N 0.38 1.27 -0.61 0.00 2.04 -1.19 -1.94 117.51 117.47 2dfx h ILE 88 Ca 0.10 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 2dfx h ILE 88 Cb 0.37 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2dfx h ILE 88 CO 0.01 0.42 0.31 -0.08 0.00 0.00 0.00 178.15 178.80 2dfx h GLU 89 N 0.81 0.85 -0.29 2.37 4.81 -1.22 -1.22 114.58 120.70 2dfx h GLU 89 Ca 0.14 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2dfx h GLU 89 Cb 0.61 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2dfx h GLU 89 CO 0.04 0.65 0.07 -0.97 -0.73 0.00 0.00 179.01 178.07 2dfx h ASN 90 N 0.85 0.43 -0.65 1.04 -1.24 -0.77 -1.59 115.58 113.65 2dfx h ASN 90 Ca 0.21 -0.23 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 2dfx h ASN 90 Cb 0.06 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 38.97 2dfx h ASN 90 CO -0.03 0.55 0.29 0.40 -1.29 0.00 0.00 177.43 177.34 2dfx h ILE 91 N 0.30 1.23 -0.86 2.57 2.04 -0.93 -1.53 117.51 120.33 2dfx h ILE 91 Ca 0.09 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2dfx h ILE 91 Cb 0.28 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2dfx h ILE 91 CO 0.00 0.28 0.54 0.11 0.00 0.00 0.00 178.15 179.08 2dfx h LYS 92 N 0.90 1.16 -0.60 2.37 1.57 -1.10 -1.09 116.57 119.78 2dfx h LYS 92 Ca 0.22 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2dfx h LYS 92 Cb 0.16 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2dfx h LYS 92 CO -0.02 0.79 0.05 -0.44 -0.57 0.00 0.00 179.45 179.26 2dfx h ASP 93 N 1.18 0.99 0.07 0.86 3.45 -0.92 -2.37 116.42 119.68 2dfx h ASP 93 Ca 0.31 -0.25 -0.08 0.00 0.43 0.00 0.00 57.03 57.44 2dfx h ASP 93 Cb -0.09 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.41 2dfx h ASP 93 CO -0.06 1.02 -0.26 0.44 -1.57 0.00 0.00 179.24 178.80 2dfx h ASP 94 N 0.95 0.31 -0.63 6.45 3.32 -0.79 -2.16 116.42 123.87 2dfx h ASP 94 Ca 0.18 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 2dfx h ASP 94 Cb 0.49 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2dfx h ASP 94 CO 0.02 0.58 0.16 0.40 -1.72 0.00 0.00 179.24 178.68 2dfx h ILE 95 N 0.28 1.25 0.00 0.35 2.04 -0.86 -1.35 117.51 119.23 2dfx h ILE 95 Ca 0.04 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 2dfx h ILE 95 Cb 0.62 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2dfx h ILE 95 CO 0.04 0.34 -0.10 -0.33 0.00 0.00 0.00 178.15 178.11 2dfx h GLU 96 N 0.92 0.00 -0.45 2.37 4.39 -0.92 -1.91 114.58 118.98 2dfx h GLU 96 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2dfx h GLU 96 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2dfx h GLU 96 CO 0.00 0.10 0.00 0.09 -1.16 0.00 0.00 179.01 178.04 2dfx n ASN 97 N -3.79 2.65 0.00 1.42 3.02 -0.60 -4.95 115.26 113.02 2dfx n ASN 97 Ca -0.02 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 2dfx n ASN 97 Cb 0.20 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 2dfx n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dfx n GLY 98 N 1.31 0.63 3.76 7.41 0.00 -0.72 -5.05 105.19 112.53 2dfx n GLY 98 Ca 0.17 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2dfx n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dfx s TYR 99 N -2.00 3.88 -0.21 1.61 2.02 -0.66 -4.97 117.35 117.01 2dfx s TYR 99 Ca 0.00 1.84 0.02 0.00 -0.37 0.00 0.00 57.07 58.55 2dfx s TYR 99 Cb 0.00 -2.93 0.02 0.00 -0.40 0.00 0.00 41.96 38.64 2dfx s TYR 99 CO 0.00 0.38 0.59 0.25 -1.57 0.00 0.00 175.55 175.20 2dfx n THR 100 N 1.18 0.08 -3.69 -0.71 -2.24 -0.74 -4.54 114.28 103.62 2dfx n THR 100 Ca -0.01 -0.54 -0.14 0.00 -2.27 0.00 0.00 64.05 61.09 2dfx n THR 100 Cb 0.48 0.99 -0.08 0.00 -2.10 0.00 0.00 70.33 69.63 2dfx n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dfx s ALA 101 N -0.21 -1.13 0.07 6.98 0.00 -1.03 -4.38 121.76 122.05 2dfx s ALA 101 Ca 0.02 0.85 0.01 0.00 0.00 0.00 0.00 51.96 52.84 2dfx s ALA 101 Cb 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2dfx s ALA 101 CO 0.02 -0.28 -0.05 -0.06 0.00 0.00 0.00 175.76 175.39 2dfx s PHE 102 N -0.85 0.68 -0.07 0.00 0.40 -0.01 -1.31 117.98 116.81 2dfx s PHE 102 Ca -0.09 -0.84 0.01 0.00 -0.60 0.00 0.00 56.93 55.42 2dfx s PHE 102 Cb -0.03 -0.43 0.02 0.00 0.51 0.00 0.00 43.02 43.09 2dfx s PHE 102 CO 0.05 -0.20 -0.09 0.42 0.70 0.00 0.00 175.22 176.09 2dfx s ILE 103 N -3.04 0.98 -0.08 0.64 1.01 -0.48 -0.11 121.20 120.12 2dfx s ILE 103 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.33 2dfx s ILE 103 Cb 0.01 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 2dfx s ILE 103 CO -0.05 0.33 -0.06 -0.63 0.00 0.00 0.00 174.94 174.54 2dfx s ILE 104 N 1.00 3.80 -0.22 2.92 1.01 -1.26 -1.11 121.20 127.33 2dfx s ILE 104 Ca -0.09 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 2dfx s ILE 104 Cb -0.15 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.78 2dfx s ILE 104 CO -0.00 0.59 -0.12 -0.89 0.00 0.00 0.00 174.94 174.52 2dfx s THR 105 N -0.69 2.50 0.18 2.92 2.01 -0.19 -0.20 115.64 122.17 2dfx s THR 105 Ca 0.11 -1.02 0.06 0.00 0.31 0.00 0.00 61.69 61.15 2dfx s THR 105 Cb -0.11 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 2dfx s THR 105 CO 0.02 0.33 0.09 -0.76 -0.69 0.00 0.00 174.62 173.60 2dfx s LEU 106 N 1.30 3.61 -0.62 4.42 1.02 -1.26 -1.11 118.68 126.03 2dfx s LEU 106 Ca 0.01 -0.25 -0.22 0.00 0.02 0.00 0.00 54.13 53.69 2dfx s LEU 106 Cb -0.15 -2.23 0.07 0.00 0.02 0.00 0.00 46.19 43.90 2dfx s LEU 106 CO -0.08 0.07 0.92 -0.75 0.02 0.00 0.00 176.35 176.53 2dfx s LYS 107 N -3.10 3.14 0.00 1.70 2.47 -0.40 -4.84 119.74 118.72 2dfx s LYS 107 Ca 0.30 -0.78 0.00 0.00 -1.56 0.00 0.00 55.97 53.93 2dfx s LYS 107 Cb -0.10 -4.19 0.00 0.00 -1.46 0.00 0.00 37.83 32.08 2dfx s LYS 107 CO 0.22 -1.70 0.00 0.00 0.16 0.00 0.00 175.35 174.03