#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 1.00 -2.46 1.96 0.00 -1.26 -5.16 120.51 114.59 1xfn n ALA 27 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1xfn n ALA 27 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 0.00 1.04 -0.28 0.00 -0.12 -1.26 -4.74 117.98 112.62 1xfn s PHE 28 Ca 0.00 -0.68 -0.10 0.00 -0.05 0.00 0.00 56.93 56.11 1xfn s PHE 28 Cb 0.00 -0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 41.79 1xfn s PHE 28 CO 0.00 -0.01 0.15 0.20 -0.05 0.00 0.00 175.22 175.51 1xfn s GLY 29 N -2.49 1.87 -0.41 1.99 0.00 -0.55 -4.34 107.32 103.39 1xfn s GLY 29 Ca 0.06 -1.20 -0.11 0.00 0.00 0.00 0.00 44.72 43.47 1xfn s GLY 29 CO -0.00 0.64 0.26 0.00 0.00 0.00 0.00 173.10 174.00 1xfn s ALA 30 N 1.68 3.33 0.06 3.20 0.00 -1.26 -0.50 121.76 128.27 1xfn s ALA 30 Ca 0.06 -2.00 0.05 0.00 0.00 0.00 0.00 51.96 50.07 1xfn s ALA 30 Cb -0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1xfn s ALA 30 CO 0.08 -1.58 -0.08 0.42 0.00 0.00 0.00 175.76 174.60 1xfn s ILE 31 N 1.50 3.55 -0.22 0.00 1.01 -0.36 -2.00 121.20 124.68 1xfn s ILE 31 Ca 0.03 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1xfn s ILE 31 Cb -0.22 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.66 1xfn s ILE 31 CO 0.04 0.22 -0.13 -1.58 0.00 0.00 0.00 174.94 173.49 1xfn s GLN 32 N -1.92 2.78 0.18 2.79 0.74 -0.84 -0.28 119.66 123.10 1xfn s GLN 32 Ca 0.20 -0.99 0.09 0.00 0.05 0.00 0.00 55.36 54.72 1xfn s GLN 32 Cb -0.11 -2.78 -0.04 0.00 1.10 0.00 0.00 33.01 31.18 1xfn s GLN 32 CO 0.12 -0.35 -0.13 -0.51 -0.55 0.00 0.00 175.29 173.87 1xfn s LEU 33 N 1.26 2.84 0.37 3.68 1.43 -0.15 -0.92 118.68 127.19 1xfn s LEU 33 Ca 0.00 -0.64 0.08 0.00 -1.03 0.00 0.00 54.13 52.54 1xfn s LEU 33 Cb -0.16 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1xfn s LEU 33 CO -0.08 0.11 0.18 1.51 0.23 0.00 0.00 176.35 178.30 1xfn s ASP 34 N -2.76 4.61 0.61 2.29 -4.77 -0.02 0.86 116.67 117.50 1xfn s ASP 34 Ca 0.24 -0.89 0.41 0.00 -3.30 0.00 0.00 52.55 49.01 1xfn s ASP 34 Cb -0.09 -0.61 2.22 0.00 -1.09 0.00 0.00 42.92 43.35 1xfn s ASP 34 CO 0.14 -0.43 2.25 1.23 0.70 0.00 0.00 175.17 179.07 1xfn h GLY 35 N 1.45 0.00 1.86 2.12 0.00 -1.89 0.19 103.07 106.80 1xfn h GLY 35 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1xfn h GLY 35 CO 0.65 0.00 -0.10 1.34 0.00 0.00 0.00 176.54 178.43 1xfn n ASP 36 N -2.94 0.81 0.00 0.19 -0.08 -1.26 -4.89 116.55 108.37 1xfn n ASP 36 Ca -0.03 0.50 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 1xfn n ASP 36 Cb 0.07 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 42.88 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 1.31 1.00 3.85 0.27 0.00 0.66 -5.04 105.19 107.25 1xfn n GLY 37 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.07 6.59 0.21 1.61 0.01 -1.23 -1.48 114.94 118.58 1xfn s ASN 38 Ca 0.00 1.39 0.05 0.00 -0.71 0.00 0.00 52.86 53.59 1xfn s ASN 38 Cb 0.00 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 1xfn s ASN 38 CO 0.00 -0.50 0.28 -0.63 -1.51 0.00 0.00 177.10 174.74 1xfn s ILE 39 N -2.50 4.99 0.01 0.60 1.01 0.71 -0.84 121.20 125.18 1xfn s ILE 39 Ca 0.56 -1.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 1xfn s ILE 39 Cb -0.10 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.71 1xfn s ILE 39 CO 0.30 -0.25 -0.01 0.18 0.00 0.00 0.00 174.94 175.16 1xfn n LEU 40 N -1.02 0.21 -3.91 2.97 4.32 -0.10 -3.12 117.00 116.34 1xfn n LEU 40 Ca -0.08 0.03 -0.10 0.00 -0.02 0.00 0.00 56.01 55.84 1xfn n LEU 40 Cb 0.56 -0.13 -0.10 0.00 -1.62 0.00 0.00 43.42 42.13 1xfn n LEU 40 CO 0.45 -0.53 -0.22 0.00 -1.22 0.00 0.00 177.39 175.87 1xfn s GLN 41 N -1.19 0.49 0.55 3.23 -2.07 -1.26 -4.00 119.66 115.41 1xfn s GLN 41 Ca -0.01 -0.57 0.05 0.00 -1.82 0.00 0.00 55.36 53.02 1xfn s GLN 41 Cb 0.00 0.20 0.04 0.00 -1.09 0.00 0.00 33.01 32.16 1xfn s GLN 41 CO 0.01 -0.11 0.41 0.71 -1.32 0.00 0.00 175.29 174.98 1xfn s TYR 42 N -1.83 1.57 0.32 9.60 4.12 -1.26 -2.00 117.35 127.87 1xfn s TYR 42 Ca -0.12 -0.86 0.08 0.00 0.02 0.00 0.00 57.07 56.20 1xfn s TYR 42 Cb -0.06 -1.90 -0.04 0.00 -1.52 0.00 0.00 41.96 38.44 1xfn s TYR 42 CO -0.01 -0.50 0.17 0.54 0.02 0.00 0.00 175.55 175.77 1xfn s ASN 43 N -4.29 4.92 0.00 2.29 4.22 -0.85 -4.77 114.94 116.45 1xfn s ASN 43 Ca 0.33 -0.62 0.17 0.00 -2.14 0.00 0.00 52.86 50.60 1xfn s ASN 43 Cb -0.02 -0.89 0.81 0.00 1.28 0.00 0.00 41.25 42.43 1xfn s ASN 43 CO 0.21 -0.24 1.51 0.00 -2.04 0.00 0.00 177.10 176.54 1xfn n ALA 44 N -1.17 1.87 0.13 3.54 0.00 -1.26 -2.28 120.51 121.34 1xfn n ALA 44 Ca -0.04 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.38 1xfn n ALA 44 Cb 0.60 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.81 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 2.73 0.71 0.13 0.00 0.00 -1.95 -3.14 119.26 117.73 1xfn h ALA 45 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1xfn h ALA 45 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xfn h ALA 45 CO 0.00 0.51 -0.06 1.49 0.00 0.00 0.00 179.25 181.18 1xfn h GLU 46 N 0.00 -0.17 -0.20 0.00 4.22 -1.65 -3.14 114.58 113.64 1xfn h GLU 46 Ca -0.03 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.48 1xfn h GLU 46 Cb 1.32 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1xfn h GLU 46 CO 0.04 0.30 0.26 0.78 -2.18 0.00 0.00 179.01 178.21 1xfn h GLY 47 N -0.77 0.00 1.69 1.92 0.00 -1.68 0.11 103.07 104.34 1xfn h GLY 47 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1xfn h GLY 47 CO 0.03 0.00 -0.08 -1.80 0.00 0.00 0.00 176.54 174.69 1xfn h ASP 48 N 0.00 0.37 0.00 0.19 1.82 -1.49 -3.00 116.42 114.30 1xfn h ASP 48 Ca 0.10 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1xfn h ASP 48 Cb 0.61 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1xfn h ASP 48 CO -0.00 0.49 -0.07 -0.38 -1.61 0.00 0.00 179.24 177.67 1xfn n ILE 49 N -4.27 0.12 -0.06 2.25 2.08 0.29 -4.83 119.36 114.95 1xfn n ILE 49 Ca 0.00 0.47 -0.02 0.00 0.56 0.00 0.00 62.75 63.77 1xfn n ILE 49 Cb 0.27 -1.57 -0.01 0.00 -0.75 0.00 0.00 39.64 37.58 1xfn n ILE 49 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1xfn h THR 50 N -0.08 0.00 0.00 1.39 2.02 -1.48 -3.50 112.91 111.26 1xfn h THR 50 Ca 0.00 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1xfn h THR 50 Cb 0.07 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1xfn h THR 50 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1xfn n GLY 51 N 1.72 1.00 3.61 2.16 0.00 -1.13 -4.95 105.19 107.60 1xfn n GLY 51 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.01 0.32 1.61 1.81 -1.26 -4.87 118.95 120.57 1xfn s ARG 52 Ca 0.00 0.24 -0.29 0.00 -1.72 0.00 0.00 55.73 53.96 1xfn s ARG 52 Cb 0.00 -3.67 -0.10 0.00 -0.45 0.00 0.00 34.95 30.73 1xfn s ARG 52 CO 0.00 -0.38 1.35 -0.51 -0.68 0.00 0.00 175.30 175.09 1xfn s ASP 53 N 1.58 6.70 -0.02 0.23 1.01 -1.26 -4.11 116.67 120.79 1xfn s ASP 53 Ca 0.20 2.73 -0.30 0.00 0.71 0.00 0.00 52.55 55.89 1xfn s ASP 53 Cb -0.16 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.07 1xfn s ASP 53 CO 0.10 -0.61 1.62 -2.84 0.21 0.00 0.00 175.17 173.65 1xfn s PRO 54 N -1.56 4.20 0.00 8.23 0.02 -1.26 -3.16 135.00 141.46 1xfn s PRO 54 Ca 0.51 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.72 1xfn s PRO 54 Cb -0.41 -3.86 0.00 0.00 0.02 0.00 0.00 34.50 30.25 1xfn s PRO 54 CO 0.52 -0.79 0.00 1.63 -0.33 0.00 0.00 177.00 178.03 1xfn n LYS 55 N 6.63 0.00 0.12 5.54 5.02 -1.26 -4.86 118.16 129.36 1xfn n LYS 55 Ca 0.16 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.58 1xfn n LYS 55 Cb 0.42 -2.29 0.21 0.00 -0.02 0.00 0.00 35.03 33.36 1xfn n LYS 55 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1xfn h GLN 56 N 2.10 0.00 -0.82 1.97 3.07 -1.81 -3.36 115.11 116.27 1xfn h GLN 56 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.52 1xfn h GLN 56 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 27.43 1xfn h GLN 56 CO 0.00 0.00 0.28 1.33 0.09 0.00 0.00 178.83 180.53 1xfn n VAL 57 N -2.50 2.62 -2.81 1.86 0.24 -1.26 -4.88 118.33 111.61 1xfn n VAL 57 Ca 0.04 -1.41 -0.42 0.00 -2.04 0.00 0.00 64.34 60.51 1xfn n VAL 57 Cb 0.48 -0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 32.38 1xfn n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xfn s ILE 58 N -2.66 4.86 0.00 1.34 1.01 -1.25 -2.44 121.20 122.06 1xfn s ILE 58 Ca 0.48 1.82 0.00 0.00 0.00 0.00 0.00 60.65 62.95 1xfn s ILE 58 Cb 0.38 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1xfn s ILE 58 CO 0.11 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1xfn n GLY 59 N 3.21 0.67 3.86 6.18 0.00 -1.18 -4.96 105.19 112.97 1xfn n GLY 59 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.08 3.59 -0.42 1.61 1.02 -1.02 -4.88 119.74 119.55 1xfn s LYS 60 Ca 0.00 -0.01 -0.24 0.00 0.02 0.00 0.00 55.97 55.74 1xfn s LYS 60 Cb 0.00 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1xfn s LYS 60 CO 0.00 0.73 0.86 1.21 -0.92 0.00 0.00 175.35 177.23 1xfn s ASN 61 N -0.96 6.53 0.46 2.83 3.84 -1.26 -0.21 114.94 126.16 1xfn s ASN 61 Ca 0.17 0.21 0.14 0.00 0.21 0.00 0.00 52.86 53.59 1xfn s ASN 61 Cb -0.13 -2.42 1.08 0.00 -0.55 0.00 0.00 41.25 39.22 1xfn s ASN 61 CO 0.06 -0.90 2.03 0.15 -2.79 0.00 0.00 177.10 175.65 1xfn h PHE 62 N 8.79 0.32 -0.04 0.43 3.04 -1.57 0.21 116.94 128.13 1xfn h PHE 62 Ca -0.24 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.72 1xfn h PHE 62 Cb 1.08 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.49 1xfn h PHE 62 CO 0.83 0.17 0.00 1.19 -2.02 0.00 0.00 178.31 178.48 1xfn n PHE 63 N -4.47 0.04 0.10 0.41 3.01 -1.26 -3.22 117.46 112.06 1xfn n PHE 63 Ca 0.06 -0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1xfn n PHE 63 Cb 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 1xfn n PHE 63 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xfn n LYS 64 N -0.19 0.00 0.20 -1.08 4.76 -0.62 -3.94 118.16 117.29 1xfn n LYS 64 Ca 0.19 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.71 1xfn n LYS 64 Cb 0.26 -0.07 0.34 0.00 -1.84 0.00 0.00 35.03 33.72 1xfn n LYS 64 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1xfn h ASP 65 N 0.00 0.00 0.00 4.39 3.58 -0.85 -3.13 116.42 120.41 1xfn h ASP 65 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1xfn h ASP 65 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1xfn h ASP 65 CO 0.00 0.28 -0.08 1.33 -2.88 0.00 0.00 179.24 177.89 1xfn n VAL 66 N -3.35 0.66 0.00 2.25 0.24 -1.24 -4.96 118.33 111.94 1xfn n VAL 66 Ca 0.01 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 1xfn n VAL 66 Cb 0.51 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 1xfn n VAL 66 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xfn n ALA 67 N -0.42 0.00 0.10 2.33 0.00 -1.19 -5.02 120.51 116.32 1xfn n ALA 67 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 1xfn n ALA 67 Cb 0.48 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.00 1xfn n ALA 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xfn n PRO 68 N 0.00 1.52 0.07 0.00 -0.05 -1.22 -2.96 135.00 132.36 1xfn n PRO 68 Ca 0.00 -1.22 -0.07 0.00 -0.05 0.00 0.00 63.50 62.16 1xfn n PRO 68 Cb 0.00 -1.48 -0.09 0.00 -0.05 0.00 0.00 33.50 31.88 1xfn n PRO 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1xfn n THR 70 N -3.43 0.84 -2.28 0.00 -1.04 -1.22 -4.60 114.28 102.55 1xfn n THR 70 Ca -0.01 -0.68 -0.41 0.00 -2.04 0.00 0.00 64.05 60.91 1xfn n THR 70 Cb 0.91 -0.38 -0.03 0.00 -1.82 0.00 0.00 70.33 69.01 1xfn n THR 70 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1xfn s ASP 71 N -5.24 5.92 -0.02 8.00 -4.77 -1.25 -3.40 116.67 115.91 1xfn s ASP 71 Ca -0.07 0.37 -0.30 0.00 -3.30 0.00 0.00 52.55 49.25 1xfn s ASP 71 Cb 0.10 -2.54 0.07 0.00 -1.09 0.00 0.00 42.92 39.46 1xfn s ASP 71 CO 0.85 -1.86 0.68 -0.44 0.70 0.00 0.00 175.17 175.10 1xfn s SER 72 N 5.35 -0.64 0.50 2.11 0.01 -1.26 -4.91 113.70 114.87 1xfn s SER 72 Ca 0.57 0.59 0.19 0.00 1.31 0.00 0.00 55.95 58.62 1xfn s SER 72 Cb -0.12 0.54 1.25 0.00 0.21 0.00 0.00 66.02 67.90 1xfn s SER 72 CO 0.24 -0.66 2.04 1.55 0.41 0.00 0.00 173.24 176.82 1xfn h PRO 73 N 2.82 0.11 -0.01 12.44 0.13 -1.93 0.39 132.00 145.96 1xfn h PRO 73 Ca -0.28 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1xfn h PRO 73 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1xfn h PRO 73 CO 0.39 0.07 -0.09 -0.85 -0.23 0.00 0.00 178.00 177.29 1xfn n GLU 74 N -4.45 1.17 0.00 0.86 0.28 -1.26 -3.42 120.64 113.81 1xfn n GLU 74 Ca 0.06 -0.59 0.00 0.00 -0.16 0.00 0.00 57.16 56.47 1xfn n GLU 74 Cb 0.38 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.76 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 -0.40 0.00 -0.16 -1.84 -0.00 -0.42 -4.72 117.46 109.92 1xfn n PHE 75 Ca 0.17 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.69 1xfn n PHE 75 Cb 0.31 0.21 0.37 0.00 -0.00 0.00 0.00 39.48 40.38 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 0.71 -0.50 -5.13 5.03 -0.71 0.23 116.97 116.61 1xfn h TYR 76 Ca 0.00 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.37 1xfn h TYR 76 Cb 0.00 -0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.00 1xfn h TYR 76 CO 0.00 0.38 0.27 0.78 -1.32 0.00 0.00 178.16 178.26 1xfn h GLY 77 N 0.70 0.70 1.31 1.82 0.00 -0.44 -0.39 103.07 106.78 1xfn h GLY 77 Ca 0.30 -0.19 -0.25 0.00 0.00 0.00 0.00 47.33 47.19 1xfn h GLY 77 CO -0.10 0.13 -1.01 0.50 0.00 0.00 0.00 176.54 176.06 1xfn h LYS 78 N 0.52 0.62 -1.00 4.80 1.79 -1.23 0.47 116.57 122.54 1xfn h LYS 78 Ca 0.22 -0.66 0.09 0.00 -2.18 0.00 0.00 60.65 58.11 1xfn h LYS 78 Cb 0.10 0.19 -0.08 0.00 -1.58 0.00 0.00 32.23 30.86 1xfn h LYS 78 CO -0.14 1.26 0.64 0.35 -1.08 0.00 0.00 179.45 180.48 1xfn h PHE 79 N 0.35 1.17 0.00 -1.35 3.57 -0.43 -1.29 116.94 118.96 1xfn h PHE 79 Ca -0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1xfn h PHE 79 Cb 1.66 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1xfn h PHE 79 CO 0.09 0.54 -0.71 0.87 -2.23 0.00 0.00 178.31 176.87 1xfn h LYS 80 N 1.09 0.00 -0.20 1.11 1.79 -1.03 -3.35 116.57 115.97 1xfn h LYS 80 Ca 0.46 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.79 1xfn h LYS 80 Cb 0.31 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1xfn h LYS 80 CO -0.22 0.00 -0.47 1.49 -1.08 0.00 0.00 179.45 179.17 1xfn h GLU 81 N 0.00 0.52 0.03 3.15 4.81 0.31 -0.29 114.58 123.12 1xfn h GLU 81 Ca 0.00 -0.29 -0.27 0.00 -0.13 0.00 0.00 59.36 58.67 1xfn h GLU 81 Cb 0.83 0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.25 1xfn h GLU 81 CO 0.00 0.88 -1.06 0.78 -0.73 0.00 0.00 179.01 178.88 1xfn h GLY 82 N 1.09 0.75 0.45 1.92 0.00 -1.66 -2.69 103.07 102.92 1xfn h GLY 82 Ca 0.02 -1.37 0.05 0.00 0.00 0.00 0.00 47.33 46.04 1xfn h GLY 82 CO 0.09 1.21 -0.08 -2.08 0.00 0.00 0.00 176.54 175.67 1xfn h VAL 83 N 0.33 0.70 -0.18 4.60 2.07 -1.66 0.32 116.25 122.43 1xfn h VAL 83 Ca -0.14 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1xfn h VAL 83 Cb 1.72 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1xfn h VAL 83 CO 0.21 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.76 1xfn h ALA 84 N 1.20 1.62 -0.69 1.67 0.00 -1.07 -3.34 119.26 118.64 1xfn h ALA 84 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xfn h ALA 84 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xfn h ALA 84 CO -0.28 0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 1xfn n SER 85 N -4.35 0.00 0.11 0.00 3.41 -1.00 -5.07 113.62 106.71 1xfn n SER 85 Ca -0.00 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1xfn n SER 85 Cb 0.20 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1xfn n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xfn n GLY 86 N 1.91 -1.28 3.34 5.00 0.00 0.11 -5.09 105.19 109.18 1xfn n GLY 86 Ca 0.00 0.31 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 2.99 -0.34 1.61 2.20 -1.05 -4.74 114.94 113.61 1xfn s ASN 87 Ca 0.00 -0.71 -0.03 0.00 -0.94 0.00 0.00 52.86 51.17 1xfn s ASN 87 Cb 0.00 -0.19 0.06 0.00 -2.00 0.00 0.00 41.25 39.12 1xfn s ASN 87 CO 0.00 0.14 0.08 -0.76 -2.94 0.00 0.00 177.10 173.61 1xfn s LEU 88 N -1.94 4.34 -0.30 3.54 2.01 -1.26 -4.33 118.68 120.74 1xfn s LEU 88 Ca 0.11 -1.41 -0.10 0.00 0.01 0.00 0.00 54.13 52.74 1xfn s LEU 88 Cb -0.10 -1.79 0.18 0.00 0.01 0.00 0.00 46.19 44.49 1xfn s LEU 88 CO 0.05 -0.35 0.93 0.54 1.01 0.00 0.00 176.35 178.53 1xfn s ASN 89 N 1.44 -0.71 0.00 2.29 2.20 -1.18 -0.00 114.94 118.98 1xfn s ASN 89 Ca -0.01 0.46 -0.28 0.00 -0.94 0.00 0.00 52.86 52.09 1xfn s ASN 89 Cb -0.20 1.61 0.10 0.00 -2.00 0.00 0.00 41.25 40.75 1xfn s ASN 89 CO -0.01 -0.13 0.85 0.28 -2.94 0.00 0.00 177.10 175.15 1xfn s THR 90 N 2.92 0.00 -0.13 0.54 -1.32 0.20 -4.99 115.64 112.86 1xfn s THR 90 Ca 0.05 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1xfn s THR 90 Cb -0.11 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.90 1xfn s THR 90 CO -0.14 0.00 -0.10 0.00 -2.21 0.00 0.00 174.62 172.17 1xfn s MET 91 N -2.93 1.80 0.20 7.08 0.23 -1.26 -0.13 119.30 124.28 1xfn s MET 91 Ca 0.03 -0.36 0.02 0.00 -1.03 0.00 0.00 55.69 54.35 1xfn s MET 91 Cb -0.01 -1.77 -0.05 0.00 -1.53 0.00 0.00 34.83 31.47 1xfn s MET 91 CO -0.08 -0.26 0.03 -0.59 -2.03 0.00 0.00 175.02 172.09 1xfn s PHE 92 N 1.63 1.30 -0.32 3.16 -0.12 -0.60 -4.94 117.98 118.10 1xfn s PHE 92 Ca 0.05 -1.06 -0.10 0.00 -0.05 0.00 0.00 56.93 55.78 1xfn s PHE 92 Cb -0.13 -0.75 -0.00 0.00 -0.63 0.00 0.00 43.02 41.51 1xfn s PHE 92 CO -0.09 -0.24 0.16 -1.21 -0.05 0.00 0.00 175.22 173.79 1xfn s GLU 93 N -3.94 3.30 0.17 1.99 2.02 -1.26 0.50 118.70 121.47 1xfn s GLU 93 Ca 0.28 -0.75 0.10 0.00 0.02 0.00 0.00 54.97 54.62 1xfn s GLU 93 Cb 0.06 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 1xfn s GLU 93 CO 0.07 -0.44 -0.21 -0.47 0.02 0.00 0.00 175.26 174.23 1xfn s TYR 94 N 1.61 2.40 -0.16 1.61 6.14 -0.42 -4.96 117.35 123.57 1xfn s TYR 94 Ca 0.04 -0.32 -0.07 0.00 0.64 0.00 0.00 57.07 57.37 1xfn s TYR 94 Cb -0.17 -1.22 -0.04 0.00 0.42 0.00 0.00 41.96 40.95 1xfn s TYR 94 CO 0.06 0.45 0.06 0.99 0.64 0.00 0.00 175.55 177.75 1xfn s THR 95 N -1.47 4.75 -0.22 4.34 2.01 -1.26 -2.29 115.64 121.51 1xfn s THR 95 Ca 0.20 -0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.12 1xfn s THR 95 Cb -0.09 -3.12 -0.00 0.00 0.01 0.00 0.00 72.50 69.30 1xfn s THR 95 CO 0.10 0.50 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.10 1xfn s PHE 96 N 0.08 2.93 0.00 4.92 0.08 -0.36 -4.95 117.98 120.68 1xfn s PHE 96 Ca 0.05 -1.10 0.00 0.00 0.12 0.00 0.00 56.93 56.00 1xfn s PHE 96 Cb -0.12 -2.07 0.00 0.00 -0.57 0.00 0.00 43.02 40.26 1xfn s PHE 96 CO 0.01 -0.61 0.00 -0.25 -0.10 0.00 0.00 175.22 174.27 1xfn n ASP 97 N 4.76 0.00 0.00 1.36 9.92 -1.25 -0.95 116.55 130.39 1xfn n ASP 97 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1xfn n ASP 97 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 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 0.00 0.00 -0.01 1.24 4.19 -1.26 -2.51 117.16 118.81 1xfn n TYR 98 Ca 0.00 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.08 1xfn n TYR 98 Cb 0.00 0.00 -0.10 0.00 0.49 0.00 0.00 39.34 39.73 1xfn n TYR 98 CO 0.00 0.00 0.00 1.96 0.91 0.00 0.00 176.86 179.73 1xfn h GLN 99 N 0.00 -0.06 -5.67 2.98 4.20 -1.99 -3.43 115.11 111.15 1xfn h GLN 99 Ca 0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 1xfn h GLN 99 Cb 0.00 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.71 1xfn h GLN 99 CO 0.00 0.52 -0.20 1.41 -0.67 0.00 0.00 178.83 179.89 1xfn s MET 100 N -3.62 4.30 -0.19 1.46 1.75 -1.04 -5.01 119.30 116.94 1xfn s MET 100 Ca -0.16 0.34 -0.36 0.00 -1.25 0.00 0.00 55.69 54.26 1xfn s MET 100 Cb 0.00 -3.42 -0.12 0.00 2.84 0.00 0.00 34.83 34.13 1xfn s MET 100 CO 0.63 0.20 1.93 2.41 -0.65 0.00 0.00 175.02 179.54 1xfn n THR 101 N 3.57 0.43 -0.02 10.11 -1.04 -1.26 -3.76 114.28 122.31 1xfn n THR 101 Ca -0.09 -0.14 -0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1xfn n THR 101 Cb 0.52 -1.72 -0.00 0.00 -1.82 0.00 0.00 70.33 67.31 1xfn n THR 101 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1xfn n PRO 102 N 6.79 0.00 -4.17 -2.82 -0.02 -1.26 -4.89 135.00 128.63 1xfn n PRO 102 Ca 0.28 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.42 1xfn n PRO 102 Cb 0.25 -0.01 -0.08 0.00 -0.02 0.00 0.00 33.50 33.64 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 0.03 4.54 -0.29 3.45 2.01 -0.13 -4.94 115.64 120.32 1xfn s THR 103 Ca 0.02 -0.43 -0.10 0.00 0.31 0.00 0.00 61.69 61.49 1xfn s THR 103 Cb -0.01 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 1xfn s THR 103 CO 0.01 0.39 0.15 -0.75 -0.69 0.00 0.00 174.62 173.73 1xfn s LYS 104 N -1.57 3.57 0.26 4.92 2.20 -1.26 -1.22 119.74 126.63 1xfn s LYS 104 Ca 0.21 -0.56 0.05 0.00 -0.36 0.00 0.00 55.97 55.31 1xfn s LYS 104 Cb -0.12 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1xfn s LYS 104 CO 0.11 -0.31 -0.04 0.14 -0.36 0.00 0.00 175.35 174.90 1xfn s VAL 105 N 1.66 1.39 -0.18 4.02 -7.23 -0.97 -3.63 120.40 115.46 1xfn s VAL 105 Ca 0.06 -2.08 -0.07 0.00 -1.81 0.00 0.00 61.98 58.08 1xfn s VAL 105 Cb -0.16 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1xfn s VAL 105 CO 0.07 -0.32 0.04 -0.75 -0.31 0.00 0.00 175.10 173.84 1xfn s LYS 106 N -3.78 3.90 -0.14 4.82 2.20 0.19 -1.30 119.74 125.63 1xfn s LYS 106 Ca 0.29 -0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.51 1xfn s LYS 106 Cb 0.05 -3.16 -0.01 0.00 -1.51 0.00 0.00 37.83 33.20 1xfn s LYS 106 CO 0.10 0.25 -0.12 0.54 -0.36 0.00 0.00 175.35 175.77 1xfn s VAL 107 N 0.41 3.11 -0.31 4.02 0.11 0.18 -1.26 120.40 126.66 1xfn s VAL 107 Ca 0.02 -0.63 -0.09 0.00 -2.93 0.00 0.00 61.98 58.34 1xfn s VAL 107 Cb -0.13 -2.32 -0.00 0.00 -1.53 0.00 0.00 36.38 32.40 1xfn s VAL 107 CO 0.01 0.51 0.14 -2.28 -3.33 0.00 0.00 175.10 170.15 1xfn s HIS 108 N 0.46 3.17 -0.21 1.54 2.46 -0.33 -1.56 115.29 120.83 1xfn s HIS 108 Ca -0.09 -0.67 -0.08 0.00 0.47 0.00 0.00 55.06 54.69 1xfn s HIS 108 Cb -0.16 -2.34 -0.04 0.00 -0.13 0.00 0.00 32.58 29.91 1xfn s HIS 108 CO 0.04 -0.49 0.09 1.41 -2.47 0.00 0.00 174.74 173.33 1xfn s MET 109 N 1.59 3.96 -0.17 2.88 0.00 0.81 -1.20 119.30 127.17 1xfn s MET 109 Ca 0.04 -0.34 -0.19 0.00 0.00 0.00 0.00 55.69 55.20 1xfn s MET 109 Cb -0.17 -3.32 0.05 0.00 0.00 0.00 0.00 34.83 31.39 1xfn s MET 109 CO 0.05 0.15 0.52 -1.59 0.00 0.00 0.00 175.02 174.15 1xfn s LYS 110 N 0.73 0.64 0.09 4.11 -2.85 -1.01 -0.63 119.74 120.82 1xfn s LYS 110 Ca 0.05 0.63 -0.25 0.00 -1.00 0.00 0.00 55.97 55.39 1xfn s LYS 110 Cb -0.13 0.31 -0.06 0.00 -2.06 0.00 0.00 37.83 35.89 1xfn s LYS 110 CO 0.02 -0.10 0.77 0.21 0.10 0.00 0.00 175.35 176.35 1xfn s LYS 111 N 0.06 4.52 0.35 1.78 2.20 1.00 0.84 119.74 130.50 1xfn s LYS 111 Ca -0.02 1.10 0.08 0.00 -0.36 0.00 0.00 55.97 56.78 1xfn s LYS 111 Cb -0.04 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 1xfn s LYS 111 CO 0.02 0.40 0.13 0.00 -0.36 0.00 0.00 175.35 175.53 1xfn s ALA 112 N -0.50 3.47 -0.35 3.13 0.00 0.39 -4.84 121.76 123.06 1xfn s ALA 112 Ca 0.37 -1.89 0.07 0.00 0.00 0.00 0.00 51.96 50.51 1xfn s ALA 112 Cb -0.22 -0.62 0.57 0.00 0.00 0.00 0.00 23.12 22.86 1xfn s ALA 112 CO 0.24 0.01 1.64 1.47 0.00 0.00 0.00 175.76 179.12 1xfn n LEU 113 N -1.13 5.15 -4.57 0.00 -0.00 -1.26 -3.52 117.00 111.67 1xfn n LEU 113 Ca -0.03 -3.73 -0.38 0.00 -0.00 0.00 0.00 56.01 51.87 1xfn n LEU 113 Cb 0.62 -0.72 -0.02 0.00 -0.00 0.00 0.00 43.42 43.30 1xfn n LEU 113 CO 0.43 1.19 1.83 -0.24 -0.00 0.00 0.00 177.39 180.61 1xfn n SER 114 N -1.14 4.29 0.00 1.45 2.88 -1.26 -4.64 113.62 115.21 1xfn n SER 114 Ca 0.44 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 55.13 1xfn n SER 114 Cb 1.29 -1.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 1xfn n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xfn n GLY 115 N 5.51 1.27 2.88 0.46 0.00 -1.26 -3.51 105.19 110.54 1xfn n GLY 115 Ca 0.48 0.34 -0.02 0.00 0.00 0.00 0.00 46.02 46.81 1xfn n GLY 115 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xfn s ASP 116 N -4.00 -1.21 0.02 1.61 -1.08 -1.26 -5.11 116.67 105.64 1xfn s ASP 116 Ca 0.00 -1.11 -0.10 0.00 -0.52 0.00 0.00 52.55 50.82 1xfn s ASP 116 Cb 0.00 1.57 0.01 0.00 -1.46 0.00 0.00 42.92 43.04 1xfn s ASP 116 CO 0.00 -0.08 0.19 -0.94 0.52 0.00 0.00 175.17 174.86 1xfn s SER 117 N 1.28 -0.00 0.25 -0.34 1.04 -1.23 -4.05 113.70 110.64 1xfn s SER 117 Ca 0.23 -0.24 0.10 0.00 0.48 0.00 0.00 55.95 56.53 1xfn s SER 117 Cb 0.01 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1xfn s SER 117 CO -0.07 -0.47 -0.10 -0.31 0.98 0.00 0.00 173.24 173.26 1xfn s TYR 118 N -1.94 2.53 -0.40 5.02 1.51 0.25 -0.46 117.35 123.86 1xfn s TYR 118 Ca -0.10 -0.26 -0.14 0.00 -1.01 0.00 0.00 57.07 55.56 1xfn s TYR 118 Cb -0.04 -1.15 0.02 0.00 -0.11 0.00 0.00 41.96 40.68 1xfn s TYR 118 CO -0.01 0.62 0.27 -1.58 -1.11 0.00 0.00 175.55 173.74 1xfn s TRP 119 N -2.20 3.24 -0.38 2.71 0.52 0.25 -0.98 118.94 122.10 1xfn s TRP 119 Ca 0.29 -0.72 -0.12 0.00 0.02 0.00 0.00 56.10 55.56 1xfn s TRP 119 Cb -0.07 -2.54 0.02 0.00 -1.15 0.00 0.00 33.47 29.74 1xfn s TRP 119 CO 0.17 -0.61 0.24 0.54 0.02 0.00 0.00 176.95 177.31 1xfn s VAL 120 N 1.63 4.84 -0.20 4.03 0.11 0.61 -2.40 120.40 129.03 1xfn s VAL 120 Ca 0.04 -0.75 -0.08 0.00 -2.93 0.00 0.00 61.98 58.26 1xfn s VAL 120 Cb -0.19 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 1xfn s VAL 120 CO 0.09 -0.24 0.07 -0.36 -3.33 0.00 0.00 175.10 171.32 1xfn s PHE 121 N 1.61 3.22 -0.44 1.54 0.40 -0.34 -1.22 117.98 122.74 1xfn s PHE 121 Ca 0.03 -0.00 -0.11 0.00 -0.60 0.00 0.00 56.93 56.25 1xfn s PHE 121 Cb -0.19 -2.12 0.08 0.00 0.51 0.00 0.00 43.02 41.30 1xfn s PHE 121 CO 0.08 0.06 0.31 0.14 0.70 0.00 0.00 175.22 176.51 1xfn s VAL 122 N 0.63 4.59 -0.19 -0.44 -7.23 0.34 -1.19 120.40 116.91 1xfn s VAL 122 Ca 0.04 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1xfn s VAL 122 Cb -0.13 -3.79 0.02 0.00 0.56 0.00 0.00 36.38 33.04 1xfn s VAL 122 CO 0.01 -0.54 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.33 1xfn s LYS 123 N 1.50 3.02 0.23 4.82 2.47 -0.39 -1.48 119.74 129.91 1xfn s LYS 123 Ca 0.03 -0.82 -0.30 0.00 -1.56 0.00 0.00 55.97 53.33 1xfn s LYS 123 Cb -0.24 -2.63 -0.09 0.00 -1.46 0.00 0.00 37.83 33.41 1xfn s LYS 123 CO 0.04 -0.22 1.31 0.50 0.16 0.00 0.00 175.35 177.14 1xfn s ARG 124 N 1.31 4.38 0.00 4.03 3.52 -1.26 0.55 118.95 131.48 1xfn s ARG 124 Ca 0.05 2.10 0.12 0.00 -0.13 0.00 0.00 55.73 57.87 1xfn s ARG 124 Cb -0.13 -3.16 0.10 0.00 -1.56 0.00 0.00 34.95 30.19 1xfn s ARG 124 CO -0.12 -0.24 0.88 1.33 -0.81 0.00 0.00 175.30 176.35