#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 1.71 -2.34 -1.18 0.00 -1.26 -4.51 120.51 112.93 1xfn n ALA 27 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1xfn n ALA 27 Cb 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 1xfn n ALA 27 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xfn s PHE 28 N -1.62 3.77 0.09 0.00 0.08 -1.26 -4.64 117.98 114.39 1xfn s PHE 28 Ca 0.00 1.26 0.03 0.00 0.12 0.00 0.00 56.93 58.34 1xfn s PHE 28 Cb 0.00 -2.55 -0.04 0.00 -0.57 0.00 0.00 43.02 39.86 1xfn s PHE 28 CO 0.00 0.50 0.11 0.20 -0.10 0.00 0.00 175.22 175.93 1xfn s GLY 29 N -0.77 1.98 -0.25 4.36 0.00 -0.28 -4.52 107.32 107.83 1xfn s GLY 29 Ca 0.30 -1.03 -0.02 0.00 0.00 0.00 0.00 44.72 43.98 1xfn s GLY 29 CO 0.19 -1.01 0.29 0.00 0.00 0.00 0.00 173.10 172.57 1xfn s ALA 30 N -1.47 -0.54 0.22 3.20 0.00 -1.26 -0.50 121.76 121.41 1xfn s ALA 30 Ca 0.30 0.10 0.10 0.00 0.00 0.00 0.00 51.96 52.46 1xfn s ALA 30 Cb -0.12 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1xfn s ALA 30 CO 0.23 -1.48 -0.14 0.42 0.00 0.00 0.00 175.76 174.80 1xfn s ILE 31 N 2.39 2.88 -0.24 0.00 1.01 0.85 -3.26 121.20 124.83 1xfn s ILE 31 Ca 0.09 -1.95 0.02 0.00 0.00 0.00 0.00 60.65 58.81 1xfn s ILE 31 Cb -0.15 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 39.92 1xfn s ILE 31 CO -0.23 -0.22 -0.11 -1.58 0.00 0.00 0.00 174.94 172.80 1xfn s GLN 32 N -3.08 2.16 0.09 2.79 0.74 -0.78 -0.20 119.66 121.38 1xfn s GLN 32 Ca 0.26 -1.15 0.06 0.00 0.05 0.00 0.00 55.36 54.59 1xfn s GLN 32 Cb -0.07 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.28 1xfn s GLN 32 CO 0.15 -0.52 -0.09 -0.51 -0.55 0.00 0.00 175.29 173.77 1xfn s LEU 33 N 1.22 3.09 0.39 3.68 1.43 -0.62 -0.26 118.68 127.61 1xfn s LEU 33 Ca -0.06 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 52.79 1xfn s LEU 33 Cb -0.18 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1xfn s LEU 33 CO -0.07 0.19 0.41 1.51 0.23 0.00 0.00 176.35 178.62 1xfn s ASP 34 N -2.08 5.35 0.00 2.29 -4.77 -0.72 0.81 116.67 117.55 1xfn s ASP 34 Ca 0.21 -0.54 0.08 0.00 -3.30 0.00 0.00 52.55 48.99 1xfn s ASP 34 Cb -0.11 -0.78 0.36 0.00 -1.09 0.00 0.00 42.92 41.30 1xfn s ASP 34 CO 0.13 -0.57 1.15 0.61 0.70 0.00 0.00 175.17 177.19 1xfn n GLY 35 N -1.57 -0.61 0.12 2.12 0.00 -1.26 -1.79 105.19 102.20 1xfn n GLY 35 Ca 0.03 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1xfn n GLY 35 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xfn h ASP 36 N 0.00 0.21 0.00 1.61 1.82 -1.94 -3.49 116.42 114.63 1xfn h ASP 36 Ca 0.00 -0.73 0.00 0.00 -0.39 0.00 0.00 57.03 55.91 1xfn h ASP 36 Cb 0.09 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1xfn h ASP 36 CO 0.00 1.63 0.00 0.61 -1.61 0.00 0.00 179.24 179.87 1xfn n GLY 37 N 1.67 -0.08 3.87 -0.78 0.00 -0.74 -5.09 105.19 104.04 1xfn n GLY 37 Ca -0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.56 6.67 0.08 1.61 0.02 -1.26 -1.55 114.94 119.96 1xfn s ASN 38 Ca 0.00 1.01 -0.10 0.00 -1.02 0.00 0.00 52.86 52.75 1xfn s ASN 38 Cb 0.00 -2.26 -0.06 0.00 0.02 0.00 0.00 41.25 38.95 1xfn s ASN 38 CO 0.00 -0.10 0.40 -0.63 0.02 0.00 0.00 177.10 176.79 1xfn s ILE 39 N -1.85 5.09 -0.01 0.60 1.01 0.55 -1.76 121.20 124.83 1xfn s ILE 39 Ca 0.49 0.44 -0.02 0.00 0.00 0.00 0.00 60.65 61.56 1xfn s ILE 39 Cb -0.11 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1xfn s ILE 39 CO 0.20 0.27 -0.04 0.18 0.00 0.00 0.00 174.94 175.56 1xfn n LEU 40 N 0.86 0.27 -3.94 2.97 7.99 0.64 -3.45 117.00 122.33 1xfn n LEU 40 Ca -0.08 0.04 -0.19 0.00 -0.01 0.00 0.00 56.01 55.77 1xfn n LEU 40 Cb 0.52 -0.38 -0.16 0.00 -0.11 0.00 0.00 43.42 43.29 1xfn n LEU 40 CO 0.42 -0.49 -0.42 -1.10 -1.51 0.00 0.00 177.39 174.30 1xfn s GLN 41 N -1.26 0.82 0.44 3.23 -0.21 -1.26 -4.56 119.66 116.87 1xfn s GLN 41 Ca -0.03 -0.19 0.02 0.00 0.02 0.00 0.00 55.36 55.18 1xfn s GLN 41 Cb 0.00 -0.79 0.08 0.00 1.00 0.00 0.00 33.01 33.31 1xfn s GLN 41 CO 0.05 0.01 0.61 0.66 -2.12 0.00 0.00 175.29 174.50 1xfn n TYR 42 N 3.62 -2.94 -4.47 0.91 0.53 -1.12 -1.86 117.16 111.83 1xfn n TYR 42 Ca -0.21 -1.20 -0.26 0.00 -1.02 0.00 0.00 57.90 55.21 1xfn n TYR 42 Cb 0.53 -0.44 -0.10 0.00 -1.03 0.00 0.00 39.34 38.31 1xfn n TYR 42 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1xfn s ASN 43 N -3.53 3.92 0.00 7.72 3.84 -1.20 -4.62 114.94 121.06 1xfn s ASN 43 Ca 0.42 -1.15 0.00 0.00 0.21 0.00 0.00 52.86 52.33 1xfn s ASN 43 Cb -0.03 -0.42 0.00 0.00 -0.55 0.00 0.00 41.25 40.26 1xfn s ASN 43 CO 0.27 -0.26 0.46 0.00 -2.79 0.00 0.00 177.10 174.78 1xfn n ALA 44 N -0.88 2.27 -0.11 1.71 0.00 -1.26 -2.77 120.51 119.47 1xfn n ALA 44 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 1xfn n ALA 44 Cb 0.64 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 1xfn n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xfn n ALA 45 N 0.03 0.94 0.17 0.00 0.00 -1.26 -2.28 120.51 118.11 1xfn n ALA 45 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 53.44 52.76 1xfn n ALA 45 Cb 0.19 -0.34 0.31 0.00 0.00 0.00 0.00 19.45 19.61 1xfn n ALA 45 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xfn h GLU 46 N -0.90 0.00 -0.01 0.00 4.39 -1.79 -2.16 114.58 114.11 1xfn h GLU 46 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1xfn h GLU 46 Cb 1.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 1xfn h GLU 46 CO -0.26 0.44 -0.24 0.41 -1.16 0.00 0.00 179.01 178.20 1xfn n GLY 47 N -0.13 -0.83 0.06 -3.84 0.00 -1.05 -0.51 105.19 98.90 1xfn n GLY 47 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 1xfn n GLY 47 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xfn h ASP 48 N 0.81 0.00 0.03 1.61 1.82 -1.45 -3.33 116.42 115.91 1xfn h ASP 48 Ca 0.00 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.29 1xfn h ASP 48 Cb 0.46 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.43 1xfn h ASP 48 CO 0.00 0.57 -1.99 2.30 -1.61 0.00 0.00 179.24 178.51 1xfn n ILE 49 N -4.69 1.58 0.10 2.25 -5.35 -1.20 -4.60 119.36 107.45 1xfn n ILE 49 Ca -0.02 -0.35 -0.12 0.00 -0.27 0.00 0.00 62.75 61.99 1xfn n ILE 49 Cb 0.08 -1.83 -0.08 0.00 -1.74 0.00 0.00 39.64 36.07 1xfn n ILE 49 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xfn h THR 50 N -0.62 0.76 0.00 7.28 2.02 -1.74 -3.48 112.91 117.14 1xfn h THR 50 Ca -0.51 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 65.76 1xfn h THR 50 Cb 1.64 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1xfn h THR 50 CO -0.19 0.17 0.00 0.61 0.37 0.00 0.00 175.52 176.48 1xfn n GLY 51 N 0.26 1.04 3.03 2.16 0.00 0.33 -4.99 105.19 107.02 1xfn n GLY 51 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.02 1.66 0.68 1.61 3.00 -0.81 -4.89 118.95 120.18 1xfn s ARG 52 Ca 0.00 -2.00 -0.16 0.00 0.00 0.00 0.00 55.73 53.57 1xfn s ARG 52 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 34.95 31.67 1xfn s ARG 52 CO 0.00 -0.99 1.20 -0.51 0.00 0.00 0.00 175.30 175.00 1xfn s ASP 53 N 0.85 4.62 0.58 0.23 1.01 -1.26 -2.52 116.67 120.18 1xfn s ASP 53 Ca 0.12 2.33 0.35 0.00 0.71 0.00 0.00 52.55 56.06 1xfn s ASP 53 Cb -0.21 -2.59 1.93 0.00 1.01 0.00 0.00 42.92 43.06 1xfn s ASP 53 CO -0.06 -1.98 2.08 -0.65 0.21 0.00 0.00 175.17 174.77 1xfn h PRO 54 N 0.13 0.00 -0.23 8.23 0.11 -1.82 -1.04 132.00 137.38 1xfn h PRO 54 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xfn h PRO 54 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1xfn h PRO 54 CO 0.52 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.94 1xfn n LYS 55 N -2.82 1.88 0.00 1.05 5.02 -1.26 -2.81 118.16 119.22 1xfn n LYS 55 Ca -0.02 -1.78 0.12 0.00 -2.02 0.00 0.00 58.31 54.61 1xfn n LYS 55 Cb 0.15 -1.32 0.25 0.00 -0.02 0.00 0.00 35.03 34.09 1xfn n LYS 55 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xfn n GLN 56 N 0.84 0.11 -0.67 1.97 1.13 -0.39 -4.18 117.38 116.20 1xfn n GLN 56 Ca 0.12 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1xfn n GLN 56 Cb 0.42 -1.50 0.22 0.00 0.11 0.00 0.00 30.24 29.49 1xfn n GLN 56 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1xfn n VAL 57 N -1.38 2.46 -3.18 5.09 0.24 -1.26 -4.93 118.33 115.37 1xfn n VAL 57 Ca 0.06 -2.37 -0.39 0.00 -2.04 0.00 0.00 64.34 59.60 1xfn n VAL 57 Cb 0.34 -0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.35 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 -3.08 5.08 0.00 1.34 1.01 -1.26 -3.19 121.20 121.10 1xfn s ILE 58 Ca 0.44 1.14 0.00 0.00 0.00 0.00 0.00 60.65 62.23 1xfn s ILE 58 Cb 0.38 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1xfn s ILE 58 CO 0.04 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1xfn n GLY 59 N 3.54 0.59 3.67 6.18 0.00 -1.22 -4.99 105.19 112.97 1xfn n GLY 59 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.01 3.09 -0.37 1.61 1.02 -1.19 -4.91 119.74 118.97 1xfn s LYS 60 Ca 0.00 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 55.30 1xfn s LYS 60 Cb 0.00 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.50 1xfn s LYS 60 CO 0.00 0.65 1.09 1.21 -0.92 0.00 0.00 175.35 177.39 1xfn s ASN 61 N -0.74 6.83 0.22 2.83 3.84 -1.26 -0.33 114.94 126.34 1xfn s ASN 61 Ca 0.12 0.86 -0.07 0.00 0.21 0.00 0.00 52.86 53.97 1xfn s ASN 61 Cb -0.12 -2.54 0.30 0.00 -0.55 0.00 0.00 41.25 38.34 1xfn s ASN 61 CO 0.02 -1.00 1.81 0.15 -2.79 0.00 0.00 177.10 175.29 1xfn h PHE 62 N 8.46 0.76 -0.00 0.43 3.04 -1.60 0.25 116.94 128.28 1xfn h PHE 62 Ca -0.21 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.76 1xfn h PHE 62 Cb 1.06 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.34 1xfn h PHE 62 CO 0.88 0.34 -0.02 1.19 -2.02 0.00 0.00 178.31 178.68 1xfn n PHE 63 N -4.76 0.00 0.00 0.41 3.01 -1.26 -1.80 117.46 113.06 1xfn n PHE 63 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1xfn n PHE 63 Cb 0.21 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 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 -1.28 0.00 0.05 -1.08 5.02 -1.08 -3.40 118.16 116.38 1xfn n LYS 64 Ca 0.13 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.46 1xfn n LYS 64 Cb 0.26 -0.36 -0.07 0.00 -0.02 0.00 0.00 35.03 34.85 1xfn n LYS 64 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xfn n ASP 65 N -2.25 0.74 -0.10 4.39 2.03 0.84 -3.73 116.55 118.48 1xfn n ASP 65 Ca 0.00 0.31 0.02 0.00 0.52 0.00 0.00 54.79 55.65 1xfn n ASP 65 Cb 0.13 0.45 0.03 0.00 -0.72 0.00 0.00 41.12 41.02 1xfn n ASP 65 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1xfn n VAL 66 N -2.76 0.82 0.00 5.18 0.31 -1.11 -4.91 118.33 115.87 1xfn n VAL 66 Ca -0.07 -0.91 0.00 0.00 -0.01 0.00 0.00 64.34 63.35 1xfn n VAL 66 Cb 0.74 0.44 0.00 0.00 -0.91 0.00 0.00 33.84 34.10 1xfn n VAL 66 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xfn n ALA 67 N -0.53 0.00 1.38 3.52 0.00 -0.74 -4.97 120.51 119.17 1xfn n ALA 67 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1xfn n ALA 67 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.84 0.00 0.00 -0.02 -1.24 -2.57 135.00 132.01 1xfn n PRO 68 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1xfn n PRO 68 Cb 0.00 -1.15 0.09 0.00 -0.02 0.00 0.00 33.50 32.41 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 -0.43 1.20 -2.21 0.00 -2.24 -1.06 -4.59 114.28 104.95 1xfn n THR 70 Ca 0.09 -0.80 -0.37 0.00 -2.27 0.00 0.00 64.05 60.70 1xfn n THR 70 Cb 0.42 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1xfn n THR 70 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xfn n ASP 71 N -2.68 3.95 -3.97 3.42 5.75 -1.22 -1.73 116.55 120.08 1xfn n ASP 71 Ca -0.29 -2.81 -0.09 0.00 -0.01 0.00 0.00 54.79 51.59 1xfn n ASP 71 Cb 1.08 -1.69 -0.05 0.00 -1.03 0.00 0.00 41.12 39.43 1xfn n ASP 71 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1xfn s SER 72 N 5.08 -0.11 0.30 -1.12 0.01 -1.26 -4.92 113.70 111.67 1xfn s SER 72 Ca 0.59 -0.87 0.21 0.00 1.31 0.00 0.00 55.95 57.20 1xfn s SER 72 Cb 0.04 0.59 1.09 0.00 0.21 0.00 0.00 66.02 67.95 1xfn s SER 72 CO 0.09 -1.14 1.65 -0.81 0.41 0.00 0.00 173.24 173.43 1xfn n PRO 73 N -0.38 0.14 -0.04 12.44 -0.04 -1.26 0.16 135.00 146.02 1xfn n PRO 73 Ca -0.03 0.59 -0.14 0.00 -0.04 0.00 0.00 63.50 63.89 1xfn n PRO 73 Cb 0.62 -1.92 -0.14 0.00 -0.04 0.00 0.00 33.50 32.01 1xfn n PRO 73 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1xfn n GLU 74 N -2.22 0.68 -0.00 0.54 0.00 -1.26 -3.46 120.64 114.91 1xfn n GLU 74 Ca -0.01 0.21 -0.00 0.00 0.00 0.00 0.00 57.16 57.36 1xfn n GLU 74 Cb 0.07 -1.68 -0.00 0.00 0.00 0.00 0.00 31.44 29.83 1xfn n GLU 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1xfn n PHE 75 N -3.15 0.00 -0.32 -1.84 -0.00 -1.08 -4.37 117.46 106.70 1xfn n PHE 75 Ca -0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.13 1xfn n PHE 75 Cb 1.06 -0.02 0.08 0.00 -0.00 0.00 0.00 39.48 40.60 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 -0.04 1.12 -0.23 -5.13 5.03 -0.35 -1.58 116.97 115.79 1xfn h TYR 76 Ca 0.00 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.35 1xfn h TYR 76 Cb 0.04 -0.37 -0.03 0.00 1.55 0.00 0.00 36.73 37.92 1xfn h TYR 76 CO -0.02 0.73 0.02 0.78 -1.32 0.00 0.00 178.16 178.36 1xfn h GLY 77 N 1.18 0.24 1.36 1.82 0.00 -0.41 0.20 103.07 107.46 1xfn h GLY 77 Ca 0.31 0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.54 1xfn h GLY 77 CO -0.06 -0.03 -0.21 0.50 0.00 0.00 0.00 176.54 176.75 1xfn h LYS 78 N 0.10 0.74 -0.94 4.80 1.79 -1.52 -1.41 116.57 120.13 1xfn h LYS 78 Ca 0.11 -0.29 0.05 0.00 -2.18 0.00 0.00 60.65 58.34 1xfn h LYS 78 Cb 0.12 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.67 1xfn h LYS 78 CO -0.16 0.89 0.60 0.35 -1.08 0.00 0.00 179.45 180.05 1xfn h PHE 79 N 0.65 1.13 0.00 -1.35 3.57 -0.88 -2.49 116.94 117.57 1xfn h PHE 79 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1xfn h PHE 79 Cb 0.70 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1xfn h PHE 79 CO 0.03 0.61 0.00 0.87 -2.23 0.00 0.00 178.31 177.59 1xfn h LYS 80 N 1.13 0.00 -0.61 1.11 1.79 -0.18 -3.28 116.57 116.53 1xfn h LYS 80 Ca 0.40 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.77 1xfn h LYS 80 Cb 0.11 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 1xfn h LYS 80 CO -0.15 0.00 0.00 0.93 -1.08 0.00 0.00 179.45 179.15 1xfn h GLU 81 N 0.00 1.07 -0.31 3.15 5.08 -0.80 0.28 114.58 123.05 1xfn h GLU 81 Ca 0.00 -0.34 -0.13 0.00 -1.00 0.00 0.00 59.36 57.90 1xfn h GLU 81 Cb 0.85 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1xfn h GLU 81 CO 0.00 1.04 -0.30 0.78 -1.00 0.00 0.00 179.01 179.53 1xfn h GLY 82 N 0.99 0.82 0.73 -3.84 0.00 -1.65 -2.25 103.07 97.88 1xfn h GLY 82 Ca 0.17 -0.83 0.02 0.00 0.00 0.00 0.00 47.33 46.69 1xfn h GLY 82 CO 0.03 0.75 -0.11 -2.08 0.00 0.00 0.00 176.54 175.13 1xfn h VAL 83 N 0.51 0.73 0.00 4.60 2.07 -1.56 0.84 116.25 123.43 1xfn h VAL 83 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1xfn h VAL 83 Cb 0.87 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1xfn h VAL 83 CO 0.07 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.63 1xfn h ALA 84 N 0.77 1.62 -2.38 1.67 0.00 -0.43 -3.28 119.26 117.23 1xfn h ALA 84 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xfn h ALA 84 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xfn h ALA 84 CO -0.10 0.05 0.00 0.43 0.00 0.00 0.00 179.25 179.62 1xfn n SER 85 N -4.03 0.00 0.02 0.00 7.64 -0.85 -5.07 113.62 111.33 1xfn n SER 85 Ca -0.03 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1xfn n SER 85 Cb 0.12 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 2.38 -1.90 3.75 0.23 0.00 0.24 -5.09 105.19 104.78 1xfn n GLY 86 Ca 0.00 0.53 -0.28 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.15 5.27 -0.14 1.61 2.20 -1.22 -4.71 114.94 116.80 1xfn s ASN 87 Ca 0.00 -0.18 0.02 0.00 -0.94 0.00 0.00 52.86 51.76 1xfn s ASN 87 Cb 0.00 -1.31 0.00 0.00 -2.00 0.00 0.00 41.25 37.94 1xfn s ASN 87 CO 0.00 0.10 -0.19 -0.22 -2.94 0.00 0.00 177.10 173.85 1xfn s LEU 88 N -2.84 2.29 -0.34 3.54 2.96 -1.26 -4.48 118.68 118.54 1xfn s LEU 88 Ca 0.29 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1xfn s LEU 88 Cb -0.10 -1.50 0.19 0.00 0.50 0.00 0.00 46.19 45.28 1xfn s LEU 88 CO 0.21 0.10 0.79 0.54 -1.32 0.00 0.00 176.35 176.67 1xfn s ASN 89 N 0.70 -1.09 0.03 3.68 6.03 -1.23 -0.98 114.94 122.08 1xfn s ASN 89 Ca -0.09 -0.26 -0.00 0.00 -1.03 0.00 0.00 52.86 51.48 1xfn s ASN 89 Cb -0.16 1.51 -0.03 0.00 -3.03 0.00 0.00 41.25 39.54 1xfn s ASN 89 CO 0.01 -0.15 -0.04 -0.89 -2.03 0.00 0.00 177.10 174.00 1xfn s THR 90 N 2.30 0.20 -0.19 0.54 2.01 0.16 -4.97 115.64 115.70 1xfn s THR 90 Ca 0.16 -1.26 -0.04 0.00 0.31 0.00 0.00 61.69 60.86 1xfn s THR 90 Cb -0.03 -0.76 0.06 0.00 0.01 0.00 0.00 72.50 71.78 1xfn s THR 90 CO -0.16 -0.67 0.07 -0.32 -0.69 0.00 0.00 174.62 172.85 1xfn s MET 91 N -2.38 0.33 0.33 4.92 0.00 -1.25 0.07 119.30 121.33 1xfn s MET 91 Ca -0.07 -0.29 0.07 0.00 0.00 0.00 0.00 55.69 55.40 1xfn s MET 91 Cb -0.03 -1.90 -0.07 0.00 0.00 0.00 0.00 34.83 32.83 1xfn s MET 91 CO -0.04 -0.69 -0.02 -0.59 0.00 0.00 0.00 175.02 173.67 1xfn s PHE 92 N 2.00 2.18 -0.16 4.11 -0.12 -0.73 -4.90 117.98 120.36 1xfn s PHE 92 Ca 0.02 -0.71 -0.07 0.00 -0.05 0.00 0.00 56.93 56.11 1xfn s PHE 92 Cb -0.16 -1.37 -0.04 0.00 -0.63 0.00 0.00 43.02 40.82 1xfn s PHE 92 CO -0.11 0.32 0.08 -2.00 -0.05 0.00 0.00 175.22 173.46 1xfn s GLU 93 N -3.74 3.82 0.01 1.99 -6.30 -1.26 0.65 118.70 113.87 1xfn s GLU 93 Ca 0.33 -0.29 -0.06 0.00 -2.50 0.00 0.00 54.97 52.45 1xfn s GLU 93 Cb 0.06 -3.20 -0.00 0.00 0.00 0.00 0.00 34.13 30.99 1xfn s GLU 93 CO 0.15 0.41 0.12 -0.47 0.02 0.00 0.00 175.26 175.49 1xfn s TYR 94 N -0.01 0.09 -0.07 5.30 6.14 0.33 -4.97 117.35 124.16 1xfn s TYR 94 Ca 0.07 -0.23 -0.03 0.00 0.64 0.00 0.00 57.07 57.53 1xfn s TYR 94 Cb -0.12 -0.07 -0.04 0.00 0.42 0.00 0.00 41.96 42.15 1xfn s TYR 94 CO 0.01 -0.30 0.05 0.99 0.64 0.00 0.00 175.55 176.94 1xfn s THR 95 N -1.61 4.67 -0.25 4.34 2.01 -1.26 -0.99 115.64 122.55 1xfn s THR 95 Ca -0.13 -0.19 -0.08 0.00 0.31 0.00 0.00 61.69 61.60 1xfn s THR 95 Cb -0.07 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 1xfn s THR 95 CO 0.00 0.55 0.10 -0.36 -0.69 0.00 0.00 174.62 174.21 1xfn s PHE 96 N -0.99 3.13 0.00 4.92 0.08 0.78 -4.95 117.98 120.95 1xfn s PHE 96 Ca 0.16 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.94 1xfn s PHE 96 Cb -0.12 -2.26 0.00 0.00 -0.57 0.00 0.00 43.02 40.08 1xfn s PHE 96 CO 0.05 -0.28 0.00 -0.40 -0.10 0.00 0.00 175.22 174.50 1xfn n ASP 97 N 4.84 0.00 0.00 1.36 5.68 -1.25 -2.19 116.55 125.00 1xfn n ASP 97 Ca -0.16 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.13 1xfn n ASP 97 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1xfn n ASP 97 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xfn n TYR 98 N 0.00 0.00 0.00 2.11 4.19 -1.26 -3.13 117.16 119.07 1xfn n TYR 98 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1xfn n TYR 98 Cb 0.00 -0.08 0.00 0.00 0.49 0.00 0.00 39.34 39.75 1xfn n TYR 98 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1xfn n GLN 99 N -0.86 0.00 -2.71 2.98 10.64 -1.26 -5.09 117.38 121.07 1xfn n GLN 99 Ca 0.00 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.79 1xfn n GLN 99 Cb 0.00 -0.03 -0.06 0.00 -0.86 0.00 0.00 30.24 29.29 1xfn n GLN 99 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 1xfn s MET 100 N -1.00 4.56 0.60 2.61 1.75 -1.18 -5.05 119.30 121.58 1xfn s MET 100 Ca 0.00 1.42 -0.18 0.00 -1.25 0.00 0.00 55.69 55.68 1xfn s MET 100 Cb 0.00 -2.86 -0.03 0.00 2.84 0.00 0.00 34.83 34.78 1xfn s MET 100 CO 0.00 0.24 1.16 0.95 -0.65 0.00 0.00 175.02 176.72 1xfn s THR 101 N -1.53 2.92 -0.80 10.11 -4.23 -1.26 -3.85 115.64 117.00 1xfn s THR 101 Ca 0.50 0.53 -0.15 0.00 -1.18 0.00 0.00 61.69 61.38 1xfn s THR 101 Cb -0.21 -3.15 -0.22 0.00 1.34 0.00 0.00 72.50 70.26 1xfn s THR 101 CO 0.27 -0.16 2.07 -2.65 -0.54 0.00 0.00 174.62 173.60 1xfn n PRO 102 N -1.76 0.19 -3.79 3.99 -0.02 -1.25 -4.65 135.00 127.73 1xfn n PRO 102 Ca 0.12 -0.46 -0.35 0.00 -2.02 0.00 0.00 63.50 60.79 1xfn n PRO 102 Cb 0.51 -2.19 -0.08 0.00 -0.02 0.00 0.00 33.50 31.71 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 6.70 5.28 -0.33 3.45 2.01 -0.93 -4.93 115.64 126.89 1xfn s THR 103 Ca 0.95 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.99 1xfn s THR 103 Cb -0.41 -3.40 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 1xfn s THR 103 CO 0.29 0.44 0.18 -0.75 -0.69 0.00 0.00 174.62 174.09 1xfn s LYS 104 N 0.38 3.30 0.28 4.92 2.20 -1.26 -0.15 119.74 129.40 1xfn s LYS 104 Ca 0.07 -0.76 0.06 0.00 -0.36 0.00 0.00 55.97 54.98 1xfn s LYS 104 Cb -0.11 -3.65 -0.06 0.00 -1.51 0.00 0.00 37.83 32.50 1xfn s LYS 104 CO -0.01 -0.47 -0.03 0.14 -0.36 0.00 0.00 175.35 174.62 1xfn s VAL 105 N 1.63 1.47 -0.14 4.02 -7.23 -0.16 -2.58 120.40 117.40 1xfn s VAL 105 Ca 0.05 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1xfn s VAL 105 Cb -0.17 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 1xfn s VAL 105 CO 0.07 -0.25 -0.14 -0.54 -0.31 0.00 0.00 175.10 173.93 1xfn s LYS 106 N -3.78 3.30 -0.44 4.82 1.02 0.13 -0.51 119.74 124.29 1xfn s LYS 106 Ca 0.30 -0.72 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 1xfn s LYS 106 Cb 0.05 -2.62 0.08 0.00 -0.52 0.00 0.00 37.83 34.82 1xfn s LYS 106 CO 0.12 0.13 0.32 0.08 -0.92 0.00 0.00 175.35 175.08 1xfn s VAL 107 N 0.55 4.55 -0.45 3.17 1.01 0.21 -0.60 120.40 128.84 1xfn s VAL 107 Ca -0.09 -1.35 -0.12 0.00 0.00 0.00 0.00 61.98 60.42 1xfn s VAL 107 Cb -0.16 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.51 1xfn s VAL 107 CO 0.04 -0.57 0.33 -2.28 0.00 0.00 0.00 175.10 172.62 1xfn s HIS 108 N 1.49 3.30 -0.03 5.22 2.46 -0.25 -1.77 115.29 125.70 1xfn s HIS 108 Ca 0.04 -1.30 -0.02 0.00 0.47 0.00 0.00 55.06 54.25 1xfn s HIS 108 Cb -0.24 -3.12 -0.04 0.00 -0.13 0.00 0.00 32.58 29.05 1xfn s HIS 108 CO 0.03 -0.85 0.08 0.00 -2.47 0.00 0.00 174.74 171.54 1xfn s MET 109 N 1.52 3.13 0.04 2.88 0.23 0.11 0.14 119.30 127.34 1xfn s MET 109 Ca 0.04 -0.41 -0.20 0.00 -1.03 0.00 0.00 55.69 54.08 1xfn s MET 109 Cb -0.24 -2.91 0.04 0.00 -1.53 0.00 0.00 34.83 30.19 1xfn s MET 109 CO 0.04 0.68 0.45 -1.59 -2.03 0.00 0.00 175.02 172.57 1xfn s LYS 110 N -1.51 0.95 0.26 3.16 -2.85 -0.44 -0.66 119.74 118.65 1xfn s LYS 110 Ca 0.20 -0.28 -0.29 0.00 -1.00 0.00 0.00 55.97 54.60 1xfn s LYS 110 Cb -0.12 0.43 -0.09 0.00 -2.06 0.00 0.00 37.83 35.99 1xfn s LYS 110 CO 0.11 -0.33 0.98 0.21 0.10 0.00 0.00 175.35 176.42 1xfn s LYS 111 N -2.34 4.77 0.40 1.78 2.20 -0.15 0.12 119.74 126.52 1xfn s LYS 111 Ca -0.06 1.55 0.08 0.00 -0.36 0.00 0.00 55.97 57.17 1xfn s LYS 111 Cb -0.01 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 33.06 1xfn s LYS 111 CO -0.01 0.41 0.18 0.00 -0.36 0.00 0.00 175.35 175.57 1xfn s ALA 112 N -1.22 3.58 0.00 3.13 0.00 0.28 -4.70 121.76 122.82 1xfn s ALA 112 Ca 0.43 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1xfn s ALA 112 Cb -0.27 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1xfn s ALA 112 CO 0.33 -0.13 0.00 1.47 0.00 0.00 0.00 175.76 177.43 1xfn n LEU 113 N -1.23 0.00 -0.31 0.00 -0.00 -1.26 -4.34 117.00 109.85 1xfn n LEU 113 Ca -0.01 -0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.96 1xfn n LEU 113 Cb 0.64 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 44.17 1xfn n LEU 113 CO 0.45 0.00 1.18 0.77 -0.00 0.00 0.00 177.39 179.79 1xfn h SER 114 N 0.00 1.08 -5.01 1.45 4.64 -1.96 -3.43 113.55 110.33 1xfn h SER 114 Ca 0.00 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 1xfn h SER 114 Cb 0.19 -0.28 -0.20 0.00 -0.31 0.00 0.00 62.40 61.80 1xfn h SER 114 CO 0.00 0.87 -0.65 -0.83 -0.87 0.00 0.00 176.83 175.34 1xfn s GLY 115 N -3.27 0.22 -0.85 -0.77 0.00 -1.26 -5.07 107.32 96.32 1xfn s GLY 115 Ca -0.12 -0.56 -0.25 0.00 0.00 0.00 0.00 44.72 43.78 1xfn s GLY 115 CO 0.82 -0.65 2.21 -0.35 0.00 0.00 0.00 173.10 175.13 1xfn s ASP 116 N -1.60 4.41 -0.00 1.64 -1.08 -1.26 -4.68 116.67 114.10 1xfn s ASP 116 Ca -0.13 -0.28 -0.00 0.00 -0.52 0.00 0.00 52.55 51.61 1xfn s ASP 116 Cb -0.08 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1xfn s ASP 116 CO -0.01 -3.42 0.00 -1.54 0.52 0.00 0.00 175.17 170.72 1xfn n SER 117 N 16.72 -0.00 -4.28 -0.34 3.41 -1.26 -4.53 113.62 123.34 1xfn n SER 117 Ca 0.44 -1.00 -0.17 0.00 -0.26 0.00 0.00 58.87 57.88 1xfn n SER 117 Cb 0.45 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.30 1xfn n SER 117 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1xfn s TYR 118 N -3.00 1.48 -0.40 7.33 1.51 0.24 -0.56 117.35 123.95 1xfn s TYR 118 Ca 0.00 -0.63 -0.13 0.00 -1.01 0.00 0.00 57.07 55.30 1xfn s TYR 118 Cb -0.00 -0.73 0.03 0.00 -0.11 0.00 0.00 41.96 41.15 1xfn s TYR 118 CO -0.00 0.21 0.26 -1.58 -1.11 0.00 0.00 175.55 173.33 1xfn s TRP 119 N -2.85 3.25 -0.26 2.71 0.52 0.32 -1.58 118.94 121.05 1xfn s TRP 119 Ca 0.17 -0.87 -0.09 0.00 0.02 0.00 0.00 56.10 55.32 1xfn s TRP 119 Cb -0.01 -2.59 -0.04 0.00 -1.15 0.00 0.00 33.47 29.68 1xfn s TRP 119 CO 0.04 -0.66 0.14 0.54 0.02 0.00 0.00 176.95 177.03 1xfn s VAL 120 N 1.60 4.91 -0.13 4.03 0.11 0.72 -1.33 120.40 130.31 1xfn s VAL 120 Ca 0.03 0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 59.06 1xfn s VAL 120 Cb -0.20 -3.32 -0.04 0.00 -1.53 0.00 0.00 36.38 31.30 1xfn s VAL 120 CO 0.08 0.30 0.07 -0.36 -3.33 0.00 0.00 175.10 171.85 1xfn s PHE 121 N 1.59 3.33 -0.40 1.54 0.40 0.12 -0.11 117.98 124.45 1xfn s PHE 121 Ca 0.07 0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 56.54 1xfn s PHE 121 Cb -0.15 -1.94 0.05 0.00 0.51 0.00 0.00 43.02 41.49 1xfn s PHE 121 CO 0.07 0.45 0.25 0.08 0.70 0.00 0.00 175.22 176.77 1xfn s VAL 122 N -0.50 4.56 -0.45 -0.44 1.01 0.35 -1.09 120.40 123.84 1xfn s VAL 122 Ca 0.10 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1xfn s VAL 122 Cb -0.12 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.69 1xfn s VAL 122 CO 0.02 -0.37 0.33 -0.54 0.00 0.00 0.00 175.10 174.54 1xfn s LYS 123 N 1.53 2.77 -0.10 2.72 -0.14 0.23 -1.13 119.74 125.62 1xfn s LYS 123 Ca 0.03 -1.45 -0.26 0.00 -1.36 0.00 0.00 55.97 52.92 1xfn s LYS 123 Cb -0.21 -3.96 -0.02 0.00 -1.68 0.00 0.00 37.83 31.96 1xfn s LYS 123 CO 0.05 -1.02 0.85 0.50 -0.76 0.00 0.00 175.35 174.97 1xfn s ARG 124 N 1.52 4.40 0.00 1.68 3.52 -1.26 0.22 118.95 129.03 1xfn s ARG 124 Ca 0.04 1.11 0.27 0.00 -0.13 0.00 0.00 55.73 57.01 1xfn s ARG 124 Cb -0.24 -3.51 0.77 0.00 -1.56 0.00 0.00 34.95 30.41 1xfn s ARG 124 CO 0.04 -0.16 1.59 1.33 -0.81 0.00 0.00 175.30 177.28