#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfn n ALA 27 N 0.00 0.00 -2.36 1.96 0.00 -1.26 -5.13 120.51 113.71 1xfn n ALA 27 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1xfn n ALA 27 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1xfn n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1xfn s PHE 28 N -0.39 1.73 -0.27 0.00 -0.12 -1.26 -4.96 117.98 112.71 1xfn s PHE 28 Ca 0.00 -0.67 -0.09 0.00 -0.05 0.00 0.00 56.93 56.12 1xfn s PHE 28 Cb 0.00 -0.89 -0.03 0.00 -0.63 0.00 0.00 43.02 41.46 1xfn s PHE 28 CO 0.00 0.26 0.12 0.20 -0.05 0.00 0.00 175.22 175.75 1xfn s GLY 29 N -3.34 1.83 -0.21 1.99 0.00 -1.19 -4.68 107.32 101.72 1xfn s GLY 29 Ca 0.25 -1.15 -0.07 0.00 0.00 0.00 0.00 44.72 43.75 1xfn s GLY 29 CO 0.08 0.59 0.06 0.00 0.00 0.00 0.00 173.10 173.84 1xfn s ALA 30 N 1.67 3.29 0.08 3.20 0.00 -1.26 -0.13 121.76 128.60 1xfn s ALA 30 Ca 0.06 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.19 1xfn s ALA 30 Cb -0.16 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1xfn s ALA 30 CO 0.06 -0.07 -0.17 0.42 0.00 0.00 0.00 175.76 176.00 1xfn s ILE 31 N 0.85 1.34 -0.10 0.00 1.01 0.14 -0.80 121.20 123.64 1xfn s ILE 31 Ca 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 60.65 59.35 1xfn s ILE 31 Cb -0.14 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 1xfn s ILE 31 CO 0.02 -0.11 -0.10 -1.58 0.00 0.00 0.00 174.94 173.17 1xfn s GLN 32 N -1.68 3.10 0.03 2.79 0.74 -1.01 0.08 119.66 123.72 1xfn s GLN 32 Ca 0.02 -0.61 -0.00 0.00 0.05 0.00 0.00 55.36 54.81 1xfn s GLN 32 Cb -0.10 -2.63 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 1xfn s GLN 32 CO 0.03 0.42 -0.03 -0.48 -0.55 0.00 0.00 175.29 174.68 1xfn s LEU 33 N -0.18 2.33 0.39 3.68 2.34 -0.25 -0.10 118.68 126.89 1xfn s LEU 33 Ca 0.01 -0.67 0.08 0.00 0.06 0.00 0.00 54.13 53.60 1xfn s LEU 33 Cb -0.13 0.11 -0.01 0.00 -0.56 0.00 0.00 46.19 45.60 1xfn s LEU 33 CO 0.03 -0.39 0.43 1.51 -1.06 0.00 0.00 176.35 176.86 1xfn s ASP 34 N -1.97 5.40 0.30 1.48 1.47 -0.31 0.88 116.67 123.92 1xfn s ASP 34 Ca -0.08 -0.52 0.17 0.00 1.18 0.00 0.00 52.55 53.30 1xfn s ASP 34 Cb -0.04 -0.77 0.95 0.00 -0.34 0.00 0.00 42.92 42.72 1xfn s ASP 34 CO -0.04 -0.59 1.50 0.61 0.68 0.00 0.00 175.17 177.33 1xfn n GLY 35 N -1.61 -0.76 0.09 2.12 0.00 -1.19 -0.28 105.19 103.57 1xfn n GLY 35 Ca 0.03 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1xfn n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xfn n ASP 36 N -2.14 0.78 0.00 1.61 -0.08 -1.26 -4.93 116.55 110.53 1xfn n ASP 36 Ca -0.01 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 1xfn n ASP 36 Cb 0.12 0.41 0.00 0.00 2.34 0.00 0.00 41.12 44.00 1xfn n ASP 36 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xfn n GLY 37 N 1.24 1.01 3.75 0.27 0.00 0.62 -4.99 105.19 107.09 1xfn n GLY 37 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1xfn n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xfn s ASN 38 N -1.56 7.06 0.18 1.61 0.01 -1.24 -0.46 114.94 120.54 1xfn s ASN 38 Ca 0.00 2.38 -0.17 0.00 -0.71 0.00 0.00 52.86 54.36 1xfn s ASN 38 Cb 0.00 -2.63 -0.08 0.00 0.41 0.00 0.00 41.25 38.96 1xfn s ASN 38 CO 0.00 -0.34 0.64 -0.63 -1.51 0.00 0.00 177.10 175.26 1xfn s ILE 39 N -0.75 4.70 -0.10 0.60 1.01 0.15 -1.16 121.20 125.66 1xfn s ILE 39 Ca 0.49 1.08 -0.10 0.00 0.00 0.00 0.00 60.65 62.11 1xfn s ILE 39 Cb -0.35 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1xfn s ILE 39 CO 0.43 0.23 -0.20 0.18 0.00 0.00 0.00 174.94 175.58 1xfn n LEU 40 N 0.78 1.17 -3.84 2.97 7.99 0.86 -3.35 117.00 123.58 1xfn n LEU 40 Ca -0.04 0.20 -0.07 0.00 -0.01 0.00 0.00 56.01 56.08 1xfn n LEU 40 Cb 0.51 -0.61 -0.02 0.00 -0.11 0.00 0.00 43.42 43.20 1xfn n LEU 40 CO 0.43 -0.39 0.47 0.00 -1.51 0.00 0.00 177.39 176.39 1xfn s GLN 41 N -2.14 1.76 0.50 3.23 1.03 -1.25 -4.55 119.66 118.23 1xfn s GLN 41 Ca -0.16 -0.96 0.05 0.00 0.04 0.00 0.00 55.36 54.32 1xfn s GLN 41 Cb 0.02 0.61 -0.00 0.00 0.03 0.00 0.00 33.01 33.67 1xfn s GLN 41 CO 0.24 -0.80 0.22 0.71 -2.54 0.00 0.00 175.29 173.12 1xfn s TYR 42 N -3.90 1.99 -2.22 9.60 4.12 -1.26 -2.39 117.35 123.28 1xfn s TYR 42 Ca 0.11 -0.80 0.19 0.00 0.02 0.00 0.00 57.07 56.59 1xfn s TYR 42 Cb -0.06 -1.84 0.69 0.00 -1.52 0.00 0.00 41.96 39.23 1xfn s TYR 42 CO 0.06 -0.08 1.50 -1.71 0.02 0.00 0.00 175.55 175.35 1xfn n ASN 43 N -1.47 1.64 0.00 2.29 5.15 0.02 -4.73 115.26 118.16 1xfn n ASN 43 Ca -0.06 -1.75 0.00 0.00 -0.60 0.00 0.00 54.58 52.17 1xfn n ASN 43 Cb 0.65 -0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 1xfn n ASN 43 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xfn n ALA 44 N 0.32 0.00 0.10 5.20 0.00 -1.26 -4.78 120.51 120.09 1xfn n ALA 44 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.64 1xfn n ALA 44 Cb 0.31 -0.10 0.49 0.00 0.00 0.00 0.00 19.45 20.16 1xfn n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xfn h ALA 45 N 0.00 1.78 0.00 0.00 0.00 -1.90 -0.21 119.26 118.93 1xfn h ALA 45 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xfn h ALA 45 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xfn h ALA 45 CO 0.00 0.19 0.00 -1.91 0.00 0.00 0.00 179.25 177.53 1xfn n GLU 46 N -4.47 0.25 0.22 0.00 4.07 -1.26 -2.34 120.64 117.10 1xfn n GLU 46 Ca 0.01 0.24 0.15 0.00 -0.06 0.00 0.00 57.16 57.50 1xfn n GLU 46 Cb 0.09 -1.81 0.62 0.00 -0.06 0.00 0.00 31.44 30.29 1xfn n GLU 46 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1xfn h GLY 47 N 4.25 0.00 0.67 8.31 0.00 -1.15 0.15 103.07 115.30 1xfn h GLY 47 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1xfn h GLY 47 CO 0.00 0.00 -0.07 -0.55 0.00 0.00 0.00 176.54 175.92 1xfn h ASP 48 N 0.00 -0.17 0.00 0.19 3.32 -1.52 -3.42 116.42 114.83 1xfn h ASP 48 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1xfn h ASP 48 Cb 0.45 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1xfn h ASP 48 CO 0.00 0.18 0.00 -0.38 -1.72 0.00 0.00 179.24 177.32 1xfn n ILE 49 N -5.03 0.00 -2.59 0.35 5.41 -1.15 -4.95 119.36 111.40 1xfn n ILE 49 Ca -0.09 0.39 -0.02 0.00 1.00 0.00 0.00 62.75 64.03 1xfn n ILE 49 Cb 0.22 -1.20 0.03 0.00 -0.71 0.00 0.00 39.64 37.98 1xfn n ILE 49 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1xfn n THR 50 N -1.78 0.00 0.00 1.39 5.66 -1.09 -5.14 114.28 113.33 1xfn n THR 50 Ca 0.00 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 1xfn n THR 50 Cb 0.00 0.66 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 1xfn n THR 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xfn n GLY 51 N -0.50 1.03 3.03 1.09 0.00 0.51 -5.03 105.19 105.32 1xfn n GLY 51 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1xfn n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xfn s ARG 52 N 2.99 0.46 0.51 1.61 1.81 -1.26 -4.88 118.95 120.19 1xfn s ARG 52 Ca 0.00 -0.85 -0.13 0.00 -1.72 0.00 0.00 55.73 53.03 1xfn s ARG 52 Cb 0.00 0.07 -0.06 0.00 -0.45 0.00 0.00 34.95 34.50 1xfn s ARG 52 CO 0.00 -0.05 0.93 -0.51 -0.68 0.00 0.00 175.30 174.99 1xfn s ASP 53 N -1.99 6.50 0.53 0.23 1.01 -1.26 -3.97 116.67 117.71 1xfn s ASP 53 Ca -0.07 1.40 0.21 0.00 0.71 0.00 0.00 52.55 54.80 1xfn s ASP 53 Cb -0.04 -2.44 1.34 0.00 1.01 0.00 0.00 42.92 42.79 1xfn s ASP 53 CO -0.04 -0.60 2.07 1.55 0.21 0.00 0.00 175.17 178.37 1xfn h PRO 54 N 0.71 0.00 0.00 8.23 0.13 -1.92 -0.69 132.00 138.46 1xfn h PRO 54 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1xfn h PRO 54 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1xfn h PRO 54 CO 0.62 0.00 -0.17 0.87 -0.23 0.00 0.00 178.00 179.09 1xfn h LYS 55 N 0.00 0.00 0.00 0.86 1.57 -1.93 -3.22 116.57 113.85 1xfn h LYS 55 Ca 0.13 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1xfn h LYS 55 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1xfn h LYS 55 CO -0.00 0.17 -0.37 1.96 -0.57 0.00 0.00 179.45 180.63 1xfn h GLN 56 N 0.00 0.00 -2.25 3.15 4.20 -1.50 -3.38 115.11 115.34 1xfn h GLN 56 Ca -0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1xfn h GLN 56 Cb 0.77 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 28.13 1xfn h GLN 56 CO 0.02 0.17 -0.67 1.33 -0.67 0.00 0.00 178.83 179.01 1xfn n VAL 57 N -3.07 2.67 -5.19 -0.54 0.24 -1.21 -4.94 118.33 106.29 1xfn n VAL 57 Ca 0.02 -5.42 -0.32 0.00 -2.04 0.00 0.00 64.34 56.58 1xfn n VAL 57 Cb 0.61 -1.50 -0.16 0.00 -1.47 0.00 0.00 33.84 31.32 1xfn n VAL 57 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1xfn s ILE 58 N -3.85 2.18 0.00 1.34 -4.36 -1.26 -3.42 121.20 111.83 1xfn s ILE 58 Ca 0.46 -1.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.86 1xfn s ILE 58 Cb 0.25 -1.82 0.00 0.00 1.25 0.00 0.00 42.46 42.14 1xfn s ILE 58 CO -0.11 0.56 0.00 0.61 0.24 0.00 0.00 174.94 176.25 1xfn n GLY 59 N 3.25 1.17 3.84 6.27 0.00 -1.21 -4.96 105.19 113.54 1xfn n GLY 59 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1xfn n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfn s LYS 60 N -0.18 4.05 -0.48 1.61 1.02 -1.26 -4.84 119.74 119.67 1xfn s LYS 60 Ca 0.00 0.61 -0.19 0.00 0.02 0.00 0.00 55.97 56.41 1xfn s LYS 60 Cb 0.00 -2.82 0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1xfn s LYS 60 CO 0.00 0.39 0.59 1.21 -0.92 0.00 0.00 175.35 176.63 1xfn s ASN 61 N -1.84 6.24 0.40 2.83 3.84 -1.26 0.31 114.94 125.46 1xfn s ASN 61 Ca 0.42 -0.76 0.16 0.00 0.21 0.00 0.00 52.86 52.90 1xfn s ASN 61 Cb -0.14 -2.28 1.03 0.00 -0.55 0.00 0.00 41.25 39.30 1xfn s ASN 61 CO 0.20 -0.81 1.83 0.15 -2.79 0.00 0.00 177.10 175.67 1xfn h PHE 62 N 8.92 0.65 -0.20 0.43 3.04 -1.09 0.26 116.94 128.94 1xfn h PHE 62 Ca -0.27 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.70 1xfn h PHE 62 Cb 1.10 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.41 1xfn h PHE 62 CO 0.72 0.15 0.00 1.19 -2.02 0.00 0.00 178.31 178.35 1xfn n PHE 63 N -4.57 0.51 0.00 0.41 3.01 -1.26 -3.15 117.46 112.42 1xfn n PHE 63 Ca 0.21 -0.20 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1xfn n PHE 63 Cb 0.71 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 1xfn n PHE 63 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1xfn n LYS 64 N 0.19 0.00 0.00 -1.08 4.81 -0.28 -4.54 118.16 117.25 1xfn n LYS 64 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1xfn n LYS 64 Cb 0.41 -0.14 0.00 0.00 0.02 0.00 0.00 35.03 35.31 1xfn n LYS 64 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xfn n ASP 65 N -2.05 0.00 -0.94 3.14 2.03 0.75 -4.45 116.55 115.03 1xfn n ASP 65 Ca 0.00 0.27 0.07 0.00 0.52 0.00 0.00 54.79 55.66 1xfn n ASP 65 Cb 0.00 -0.06 0.24 0.00 -0.72 0.00 0.00 41.12 40.58 1xfn n ASP 65 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1xfn n VAL 66 N -0.68 1.64 -2.80 5.18 3.14 -1.26 -4.66 118.33 118.89 1xfn n VAL 66 Ca 0.00 -1.35 -0.09 0.00 -2.96 0.00 0.00 64.34 59.94 1xfn n VAL 66 Cb 0.00 0.15 0.03 0.00 -1.06 0.00 0.00 33.84 32.97 1xfn n VAL 66 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xfn n ALA 67 N 0.29 -1.12 1.43 1.55 0.00 -1.19 -4.87 120.51 116.60 1xfn n ALA 67 Ca 0.18 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1xfn n ALA 67 Cb 0.69 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1xfn n ALA 67 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xfn n PRO 68 N 1.86 0.99 0.20 0.00 -0.02 -1.26 -3.28 135.00 133.49 1xfn n PRO 68 Ca 0.12 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.68 1xfn n PRO 68 Cb 0.61 -1.27 0.34 0.00 -0.02 0.00 0.00 33.50 33.16 1xfn n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xfn n THR 70 N -3.33 1.54 -2.44 0.00 -2.24 -1.21 -4.46 114.28 102.15 1xfn n THR 70 Ca 0.01 -0.78 -0.39 0.00 -2.27 0.00 0.00 64.05 60.62 1xfn n THR 70 Cb 0.50 -0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 67.76 1xfn n THR 70 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1xfn s ASP 71 N -6.03 6.32 0.06 3.42 -4.77 -1.26 -2.38 116.67 112.03 1xfn s ASP 71 Ca -0.11 -2.03 -0.07 0.00 -3.30 0.00 0.00 52.55 47.04 1xfn s ASP 71 Cb 0.07 -2.58 -0.01 0.00 -1.09 0.00 0.00 42.92 39.32 1xfn s ASP 71 CO 0.80 -1.70 0.14 -0.44 0.70 0.00 0.00 175.17 174.67 1xfn s SER 72 N 5.02 0.16 0.35 2.11 0.01 -1.26 -4.89 113.70 115.20 1xfn s SER 72 Ca 0.56 -0.60 0.09 0.00 1.31 0.00 0.00 55.95 57.31 1xfn s SER 72 Cb 0.02 0.29 0.83 0.00 0.21 0.00 0.00 66.02 67.36 1xfn s SER 72 CO 0.06 -0.63 1.84 -0.65 0.41 0.00 0.00 173.24 174.27 1xfn h PRO 73 N 3.16 0.66 -0.64 12.44 0.11 -1.94 0.24 132.00 146.04 1xfn h PRO 73 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1xfn h PRO 73 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1xfn h PRO 73 CO 0.54 0.44 0.00 -0.85 -0.21 0.00 0.00 178.00 177.92 1xfn n GLU 74 N -4.61 3.25 0.00 1.05 0.28 -1.26 -3.02 120.64 116.32 1xfn n GLU 74 Ca 0.20 -2.42 0.00 0.00 -0.16 0.00 0.00 57.16 54.78 1xfn n GLU 74 Cb 0.54 -1.77 0.00 0.00 1.43 0.00 0.00 31.44 31.63 1xfn n GLU 74 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1xfn n PHE 75 N 0.98 0.00 -0.10 -1.84 -0.00 -0.33 -4.73 117.46 111.43 1xfn n PHE 75 Ca 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.65 1xfn n PHE 75 Cb 0.75 0.22 0.22 0.00 -0.00 0.00 0.00 39.48 40.68 1xfn n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1xfn h TYR 76 N 0.00 0.78 0.00 -5.13 5.03 -0.30 0.15 116.97 117.50 1xfn h TYR 76 Ca 0.00 -0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.20 1xfn h TYR 76 Cb 0.00 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.04 1xfn h TYR 76 CO 0.00 0.66 -0.20 0.78 -1.32 0.00 0.00 178.16 178.08 1xfn h GLY 77 N 0.93 0.00 1.27 1.82 0.00 -0.70 0.20 103.07 106.59 1xfn h GLY 77 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.34 1xfn h GLY 77 CO -0.00 0.00 -1.18 0.50 0.00 0.00 0.00 176.54 175.85 1xfn h LYS 78 N 0.00 0.00 -0.34 4.80 1.57 -1.26 -1.49 116.57 119.85 1xfn h LYS 78 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1xfn h LYS 78 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1xfn h LYS 78 CO 0.03 0.37 0.16 0.35 -0.57 0.00 0.00 179.45 179.79 1xfn h PHE 79 N 0.00 0.49 0.00 -1.35 3.57 -0.05 -2.87 116.94 116.73 1xfn h PHE 79 Ca -0.12 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1xfn h PHE 79 Cb 1.55 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.14 1xfn h PHE 79 CO 0.00 0.43 0.00 0.87 -2.23 0.00 0.00 178.31 177.38 1xfn h LYS 80 N 0.41 0.00 -1.01 1.11 1.79 -0.66 -3.18 116.57 115.03 1xfn h LYS 80 Ca 0.11 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 1xfn h LYS 80 Cb 0.13 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.73 1xfn h LYS 80 CO -0.01 0.00 0.66 1.49 -1.08 0.00 0.00 179.45 180.51 1xfn h GLU 81 N 0.00 1.26 0.08 3.15 4.81 -1.03 -0.47 114.58 122.39 1xfn h GLU 81 Ca 0.00 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 58.95 1xfn h GLU 81 Cb 0.75 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1xfn h GLU 81 CO 0.00 0.84 -1.05 0.78 -0.73 0.00 0.00 179.01 178.84 1xfn h GLY 82 N 1.30 0.20 0.39 1.92 0.00 -1.60 -3.29 103.07 102.00 1xfn h GLY 82 Ca 0.39 -0.52 0.04 0.00 0.00 0.00 0.00 47.33 47.25 1xfn h GLY 82 CO -0.11 0.45 -0.21 -2.08 0.00 0.00 0.00 176.54 174.59 1xfn h VAL 83 N -0.54 0.49 0.00 4.60 2.07 -1.52 0.00 116.25 121.35 1xfn h VAL 83 Ca -0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1xfn h VAL 83 Cb 1.55 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1xfn h VAL 83 CO 0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1xfn n ALA 84 N -2.65 1.74 -0.46 1.67 0.00 -0.19 -3.93 120.51 116.68 1xfn n ALA 84 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1xfn n ALA 84 Cb 0.26 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1xfn n ALA 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xfn n SER 85 N -1.66 0.00 0.01 0.00 7.64 -0.69 -5.09 113.62 113.83 1xfn n SER 85 Ca 0.04 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1xfn n SER 85 Cb 0.20 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1xfn n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xfn n GLY 86 N 1.98 -1.91 3.70 0.23 0.00 -0.10 -5.10 105.19 103.99 1xfn n GLY 86 Ca 0.00 0.53 -0.25 0.00 0.00 0.00 0.00 46.02 46.30 1xfn n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfn s ASN 87 N -1.07 4.94 -0.28 1.61 2.20 -1.24 -4.78 114.94 116.33 1xfn s ASN 87 Ca 0.00 -0.39 -0.01 0.00 -0.94 0.00 0.00 52.86 51.52 1xfn s ASN 87 Cb 0.00 -1.10 0.09 0.00 -2.00 0.00 0.00 41.25 38.24 1xfn s ASN 87 CO 0.00 0.05 0.07 -0.22 -2.94 0.00 0.00 177.10 174.05 1xfn s LEU 88 N -3.27 2.23 -0.30 3.54 2.96 -1.26 -4.38 118.68 118.19 1xfn s LEU 88 Ca 0.30 -1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 52.72 1xfn s LEU 88 Cb -0.09 -0.90 0.12 0.00 0.50 0.00 0.00 46.19 45.83 1xfn s LEU 88 CO 0.21 -0.37 0.23 0.20 -1.32 0.00 0.00 176.35 175.29 1xfn s ASN 89 N 1.59 2.47 0.12 3.68 0.01 -1.25 0.86 114.94 122.43 1xfn s ASN 89 Ca 0.06 -1.19 0.05 0.00 -0.71 0.00 0.00 52.86 51.06 1xfn s ASN 89 Cb -0.17 0.09 -0.04 0.00 0.41 0.00 0.00 41.25 41.54 1xfn s ASN 89 CO -0.19 -0.39 -0.12 0.42 -1.51 0.00 0.00 177.10 175.31 1xfn s THR 90 N 2.03 1.15 -0.22 1.60 -4.23 0.40 -4.96 115.64 111.41 1xfn s THR 90 Ca 0.11 -1.74 -0.05 0.00 -1.18 0.00 0.00 61.69 58.84 1xfn s THR 90 Cb -0.16 -1.51 0.08 0.00 1.34 0.00 0.00 72.50 72.25 1xfn s THR 90 CO -0.28 -0.52 0.11 0.00 -0.54 0.00 0.00 174.62 173.39 1xfn s MET 91 N -2.88 0.12 0.30 3.99 0.23 -1.25 0.53 119.30 120.34 1xfn s MET 91 Ca 0.09 -0.26 0.05 0.00 -1.03 0.00 0.00 55.69 54.53 1xfn s MET 91 Cb -0.03 -1.54 -0.06 0.00 -1.53 0.00 0.00 34.83 31.67 1xfn s MET 91 CO 0.01 -0.82 -0.00 -0.59 -2.03 0.00 0.00 175.02 171.60 1xfn s PHE 92 N 2.13 1.92 -0.24 3.16 -0.12 -0.63 -4.89 117.98 119.31 1xfn s PHE 92 Ca 0.05 -0.83 -0.08 0.00 -0.05 0.00 0.00 56.93 56.02 1xfn s PHE 92 Cb -0.16 -1.18 -0.04 0.00 -0.63 0.00 0.00 43.02 41.01 1xfn s PHE 92 CO -0.21 0.13 0.10 -1.21 -0.05 0.00 0.00 175.22 173.99 1xfn s GLU 93 N -3.81 3.83 0.05 1.99 2.02 -1.26 0.17 118.70 121.70 1xfn s GLU 93 Ca 0.32 -0.39 -0.03 0.00 0.02 0.00 0.00 54.97 54.89 1xfn s GLU 93 Cb 0.06 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 1xfn s GLU 93 CO 0.13 -0.05 0.04 -0.47 0.02 0.00 0.00 175.26 174.93 1xfn s TYR 94 N 1.29 0.37 0.19 1.61 6.14 -0.15 -4.97 117.35 121.82 1xfn s TYR 94 Ca 0.06 -0.83 0.05 0.00 0.64 0.00 0.00 57.07 56.99 1xfn s TYR 94 Cb -0.15 -0.26 -0.04 0.00 0.42 0.00 0.00 41.96 41.94 1xfn s TYR 94 CO 0.05 -0.40 0.19 0.95 0.64 0.00 0.00 175.55 176.98 1xfn s THR 95 N -3.51 4.69 -0.23 4.34 -4.23 -1.26 -0.40 115.64 115.05 1xfn s THR 95 Ca 0.03 -1.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.49 1xfn s THR 95 Cb 0.04 -3.44 0.05 0.00 1.34 0.00 0.00 72.50 70.50 1xfn s THR 95 CO -0.09 -0.17 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.35 1xfn s PHE 96 N -1.85 2.87 -0.03 3.99 0.08 0.31 -4.94 117.98 118.41 1xfn s PHE 96 Ca 0.32 -1.97 0.04 0.00 0.12 0.00 0.00 56.93 55.45 1xfn s PHE 96 Cb -0.10 -1.81 0.07 0.00 -0.57 0.00 0.00 43.02 40.61 1xfn s PHE 96 CO 0.25 -0.82 0.97 -0.25 -0.10 0.00 0.00 175.22 175.27 1xfn n ASP 97 N 4.55 1.72 -0.06 1.36 9.92 -1.26 -2.87 116.55 129.92 1xfn n ASP 97 Ca -0.15 -2.13 -0.13 0.00 -0.53 0.00 0.00 54.79 51.85 1xfn n ASP 97 Cb 0.45 -0.11 -0.05 0.00 -0.64 0.00 0.00 41.12 40.77 1xfn n ASP 97 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xfn n TYR 98 N -0.63 0.00 0.40 1.24 4.19 -1.26 -4.58 117.16 116.52 1xfn n TYR 98 Ca 0.04 0.00 0.06 0.00 3.31 0.00 0.00 57.90 61.30 1xfn n TYR 98 Cb 0.40 -0.46 0.20 0.00 0.49 0.00 0.00 39.34 39.97 1xfn n TYR 98 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 1xfn n GLN 99 N -3.51 2.42 -3.57 2.98 1.13 -1.26 -4.87 117.38 110.70 1xfn n GLN 99 Ca -0.25 -1.61 -0.09 0.00 -1.94 0.00 0.00 57.00 53.12 1xfn n GLN 99 Cb 0.68 -1.55 -0.04 0.00 0.11 0.00 0.00 30.24 29.45 1xfn n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xfn s MET 100 N -1.64 0.57 0.44 -1.09 0.23 -1.26 -5.07 119.30 111.48 1xfn s MET 100 Ca 0.29 -0.01 -0.25 0.00 -1.03 0.00 0.00 55.69 54.69 1xfn s MET 100 Cb 0.18 0.27 -0.09 0.00 -1.53 0.00 0.00 34.83 33.66 1xfn s MET 100 CO 0.15 -0.21 1.33 -2.37 -2.03 0.00 0.00 175.02 171.90 1xfn n THR 101 N 0.37 2.74 -0.78 3.16 5.66 -1.26 -4.05 114.28 120.12 1xfn n THR 101 Ca -0.08 -0.50 -0.09 0.00 -3.05 0.00 0.00 64.05 60.34 1xfn n THR 101 Cb 0.59 -1.67 -0.09 0.00 -1.55 0.00 0.00 70.33 67.61 1xfn n THR 101 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1xfn n PRO 102 N -0.12 0.00 -4.63 1.09 -0.02 -1.26 -4.77 135.00 125.28 1xfn n PRO 102 Ca 0.06 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.21 1xfn n PRO 102 Cb 0.41 -0.58 -0.11 0.00 -0.02 0.00 0.00 33.50 33.19 1xfn n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xfn s THR 103 N 0.00 3.53 -0.14 3.45 2.01 -1.14 -4.98 115.64 118.37 1xfn s THR 103 Ca 0.52 -0.64 -0.05 0.00 0.31 0.00 0.00 61.69 61.83 1xfn s THR 103 Cb -0.34 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 1xfn s THR 103 CO 0.23 0.53 0.06 -0.75 -0.69 0.00 0.00 174.62 173.99 1xfn s LYS 104 N -0.99 3.53 0.28 4.92 2.20 -1.26 -0.53 119.74 127.88 1xfn s LYS 104 Ca 0.14 -0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.47 1xfn s LYS 104 Cb -0.11 -3.06 -0.06 0.00 -1.51 0.00 0.00 37.83 33.09 1xfn s LYS 104 CO 0.03 0.53 -0.01 0.14 -0.36 0.00 0.00 175.35 175.68 1xfn s VAL 105 N -0.35 1.34 -0.26 4.02 -7.23 0.47 -3.40 120.40 114.99 1xfn s VAL 105 Ca 0.09 -2.06 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 1xfn s VAL 105 Cb -0.12 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1xfn s VAL 105 CO 0.02 -0.23 0.01 -0.75 -0.31 0.00 0.00 175.10 173.83 1xfn s LYS 106 N -3.81 3.18 -0.25 4.82 2.20 0.14 -0.98 119.74 125.03 1xfn s LYS 106 Ca 0.31 -0.78 -0.08 0.00 -0.36 0.00 0.00 55.97 55.06 1xfn s LYS 106 Cb 0.06 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1xfn s LYS 106 CO 0.12 -0.33 0.11 0.08 -0.36 0.00 0.00 175.35 174.96 1xfn s VAL 107 N 1.46 4.65 -0.39 4.02 1.01 0.13 -0.91 120.40 130.37 1xfn s VAL 107 Ca 0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 1xfn s VAL 107 Cb -0.16 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 33.07 1xfn s VAL 107 CO -0.01 0.32 0.23 -2.28 0.00 0.00 0.00 175.10 173.37 1xfn s HIS 108 N 1.59 3.26 -0.17 5.22 2.46 0.44 -1.61 115.29 126.48 1xfn s HIS 108 Ca 0.06 -1.01 -0.08 0.00 0.47 0.00 0.00 55.06 54.51 1xfn s HIS 108 Cb -0.15 -2.56 -0.04 0.00 -0.13 0.00 0.00 32.58 29.69 1xfn s HIS 108 CO 0.06 -0.68 0.10 1.41 -2.47 0.00 0.00 174.74 173.16 1xfn s MET 109 N 1.55 3.89 -0.03 2.88 0.00 0.19 0.22 119.30 128.00 1xfn s MET 109 Ca 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 55.69 55.47 1xfn s MET 109 Cb -0.20 -3.26 0.02 0.00 0.00 0.00 0.00 34.83 31.39 1xfn s MET 109 CO 0.06 0.42 -0.01 0.15 0.00 0.00 0.00 175.02 175.64 1xfn s LYS 110 N -0.01 0.32 -0.21 4.11 1.02 -0.37 -0.45 119.74 124.15 1xfn s LYS 110 Ca 0.08 0.04 -0.20 0.00 0.02 0.00 0.00 55.97 55.91 1xfn s LYS 110 Cb -0.12 -0.45 -0.03 0.00 -0.52 0.00 0.00 37.83 36.71 1xfn s LYS 110 CO 0.00 -0.10 0.57 0.21 -0.92 0.00 0.00 175.35 175.12 1xfn s LYS 111 N 0.82 4.18 0.29 1.68 2.20 0.25 0.12 119.74 129.28 1xfn s LYS 111 Ca -0.08 0.50 0.01 0.00 -0.36 0.00 0.00 55.97 56.04 1xfn s LYS 111 Cb -0.12 -3.58 0.01 0.00 -1.51 0.00 0.00 37.83 32.63 1xfn s LYS 111 CO -0.01 -0.22 0.09 0.00 -0.36 0.00 0.00 175.35 174.84 1xfn n ALA 112 N 5.03 0.32 -1.22 3.13 0.00 -0.79 -4.87 120.51 122.11 1xfn n ALA 112 Ca -0.03 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.18 1xfn n ALA 112 Cb 0.50 0.61 0.00 0.00 0.00 0.00 0.00 19.45 20.56 1xfn n ALA 112 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xfn n LEU 113 N 0.00 0.00 -3.96 0.00 7.94 -1.26 -4.11 117.00 115.61 1xfn n LEU 113 Ca -0.08 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.52 1xfn n LEU 113 Cb 0.35 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.31 1xfn n LEU 113 CO 0.19 0.00 0.03 -1.20 -1.11 0.00 0.00 177.39 175.30 1xfn n SER 114 N 0.00 -3.68 -1.96 1.96 7.64 -1.26 -0.33 113.62 115.99 1xfn n SER 114 Ca 0.00 -0.85 -0.12 0.00 1.01 0.00 0.00 58.87 58.90 1xfn n SER 114 Cb 0.00 -3.60 0.03 0.00 -1.01 0.00 0.00 64.21 59.63 1xfn n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xfn n GLY 115 N -1.64 0.11 2.80 0.23 0.00 -1.26 -3.99 105.19 101.44 1xfn n GLY 115 Ca -0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.70 1xfn n GLY 115 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xfn n ASP 116 N -0.73 -6.00 -4.15 1.61 9.92 0.55 -4.95 116.55 112.79 1xfn n ASP 116 Ca -0.02 -0.35 -0.10 0.00 -0.53 0.00 0.00 54.79 53.80 1xfn n ASP 116 Cb 0.55 -4.25 -0.10 0.00 -0.64 0.00 0.00 41.12 36.67 1xfn n ASP 116 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1xfn s SER 117 N -3.08 0.52 0.17 -2.24 1.04 -0.57 -3.18 113.70 106.36 1xfn s SER 117 Ca 0.21 -1.15 0.10 0.00 0.48 0.00 0.00 55.95 55.58 1xfn s SER 117 Cb -0.03 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1xfn s SER 117 CO 0.58 -0.67 -0.20 -0.31 0.98 0.00 0.00 173.24 173.62 1xfn s TYR 118 N -3.95 1.99 -0.39 5.02 1.51 0.25 -1.89 117.35 119.89 1xfn s TYR 118 Ca 0.20 -0.43 -0.12 0.00 -1.01 0.00 0.00 57.07 55.72 1xfn s TYR 118 Cb 0.07 -0.99 0.04 0.00 -0.11 0.00 0.00 41.96 40.97 1xfn s TYR 118 CO -0.01 0.39 0.24 -1.58 -1.11 0.00 0.00 175.55 173.49 1xfn s TRP 119 N -1.89 3.25 -0.16 2.71 0.52 0.32 -1.09 118.94 122.60 1xfn s TRP 119 Ca 0.17 -0.96 -0.08 0.00 0.02 0.00 0.00 56.10 55.25 1xfn s TRP 119 Cb -0.07 -2.57 -0.04 0.00 -1.15 0.00 0.00 33.47 29.64 1xfn s TRP 119 CO 0.08 -0.67 0.12 0.54 0.02 0.00 0.00 176.95 177.04 1xfn s VAL 120 N 1.57 5.33 -0.08 4.03 0.11 0.11 -1.23 120.40 130.24 1xfn s VAL 120 Ca 0.03 0.15 0.05 0.00 -2.93 0.00 0.00 61.98 59.28 1xfn s VAL 120 Cb -0.20 -3.38 -0.00 0.00 -1.53 0.00 0.00 36.38 31.27 1xfn s VAL 120 CO 0.07 0.52 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.76 1xfn s PHE 121 N -0.24 2.40 -0.45 1.54 0.40 0.13 0.27 117.98 122.03 1xfn s PHE 121 Ca 0.10 -0.85 -0.13 0.00 -0.60 0.00 0.00 56.93 55.46 1xfn s PHE 121 Cb -0.12 -1.59 0.08 0.00 0.51 0.00 0.00 43.02 41.90 1xfn s PHE 121 CO 0.01 -0.31 0.34 0.08 0.70 0.00 0.00 175.22 176.03 1xfn s VAL 122 N 0.12 4.76 -0.38 -0.44 1.01 0.82 -0.42 120.40 125.86 1xfn s VAL 122 Ca -0.11 -1.25 -0.12 0.00 0.00 0.00 0.00 61.98 60.50 1xfn s VAL 122 Cb -0.16 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1xfn s VAL 122 CO 0.06 -0.56 0.23 -0.54 0.00 0.00 0.00 175.10 174.29 1xfn s LYS 123 N 1.54 2.87 0.61 2.72 -0.14 -0.09 -3.14 119.74 124.11 1xfn s LYS 123 Ca 0.04 -1.06 -0.13 0.00 -1.36 0.00 0.00 55.97 53.46 1xfn s LYS 123 Cb -0.24 -3.80 -0.04 0.00 -1.68 0.00 0.00 37.83 32.07 1xfn s LYS 123 CO 0.04 -0.71 1.03 -0.98 -0.76 0.00 0.00 175.35 173.97 1xfn s ARG 124 N 1.59 3.46 0.00 1.68 1.70 -1.26 0.24 118.95 126.36 1xfn s ARG 124 Ca 0.03 0.91 0.27 0.00 -0.47 0.00 0.00 55.73 56.47 1xfn s ARG 124 Cb -0.19 -2.06 0.80 0.00 -0.57 0.00 0.00 34.95 32.93 1xfn s ARG 124 CO 0.08 -0.68 1.61 0.28 -1.08 0.00 0.00 175.30 175.51