#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufb n ASN 2 N 0.00 -3.07 0.00 6.12 6.94 -1.26 -0.87 115.26 123.12 1ufb n ASN 2 Ca 0.00 -1.02 0.00 0.00 -0.02 0.00 0.00 54.58 53.54 1ufb n ASN 2 Cb 0.00 -1.22 0.00 0.00 -2.36 0.00 0.00 39.78 36.20 1ufb n ASN 2 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1ufb n ARG 3 N -4.16 0.00 -0.31 -3.83 1.74 -1.26 -4.86 116.66 103.99 1ufb n ARG 3 Ca -0.09 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.11 1ufb n ARG 3 Cb 0.43 -2.94 0.29 0.00 -1.02 0.00 0.00 32.46 29.22 1ufb n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ufb h ALA 4 N 0.00 1.42 -0.16 7.54 0.00 -1.26 -0.21 119.26 126.58 1ufb h ALA 4 Ca 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1ufb h ALA 4 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ufb h ALA 4 CO 0.00 -0.26 -0.33 0.00 0.00 0.00 0.00 179.25 178.67 1ufb h ARG 5 N 0.49 0.33 -0.48 0.00 3.08 -1.90 -1.31 114.38 114.58 1ufb h ARG 5 Ca 0.54 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 60.49 1ufb h ARG 5 Cb 0.95 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.95 1ufb h ARG 5 CO -0.47 0.62 0.26 -0.44 -1.07 0.00 0.00 179.97 178.87 1ufb h ASP 6 N 0.28 0.39 -0.41 7.04 3.32 -1.47 0.25 116.42 125.83 1ufb h ASP 6 Ca 0.04 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 1ufb h ASP 6 Cb 0.72 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1ufb h ASP 6 CO 0.05 0.28 -0.14 -0.50 -1.72 0.00 0.00 179.24 177.22 1ufb h TRP 7 N 0.51 0.98 -0.54 4.55 4.06 -0.87 -0.63 115.95 124.01 1ufb h TRP 7 Ca 0.20 -0.20 -0.10 0.00 2.06 0.00 0.00 58.89 60.85 1ufb h TRP 7 Cb 0.08 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 1ufb h TRP 7 CO -0.09 0.95 -0.06 1.25 -3.56 0.00 0.00 178.44 176.93 1ufb h LEU 8 N 0.78 0.97 -0.44 -4.49 5.85 -0.81 0.43 115.31 117.60 1ufb h LEU 8 Ca 0.12 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1ufb h LEU 8 Cb 0.66 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1ufb h LEU 8 CO 0.05 1.06 0.12 -0.08 -0.34 0.00 0.00 178.44 179.25 1ufb h GLU 9 N 0.89 0.69 -0.95 1.25 4.57 -0.29 -1.03 114.58 119.71 1ufb h GLU 9 Ca 0.15 -0.16 0.12 0.00 -1.18 0.00 0.00 59.36 58.29 1ufb h GLU 9 Cb 0.61 -0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 29.02 1ufb h GLU 9 CO 0.04 0.68 0.57 0.37 -1.18 0.00 0.00 179.01 179.50 1ufb h GLN 10 N 0.57 0.88 -0.57 1.92 5.75 -0.64 0.19 115.11 123.22 1ufb h GLN 10 Ca 0.14 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 1ufb h GLN 10 Cb 0.29 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1ufb h GLN 10 CO -0.00 0.58 0.13 0.00 -2.65 0.00 0.00 178.83 176.89 1ufb h ALA 11 N 1.52 0.75 -0.13 3.38 0.00 -0.47 0.35 119.26 124.66 1ufb h ALA 11 Ca 0.47 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1ufb h ALA 11 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ufb h ALA 11 CO -0.27 0.46 -0.43 0.00 0.00 0.00 0.00 179.25 179.00 1ufb h ARG 12 N 0.81 0.30 -0.32 0.00 3.08 -0.35 -0.60 114.38 117.30 1ufb h ARG 12 Ca 0.18 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1ufb h ARG 12 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1ufb h ARG 12 CO 0.00 0.68 -0.08 1.25 -1.07 0.00 0.00 179.97 180.75 1ufb h HIS 13 N 0.24 0.69 -0.71 3.04 2.76 -0.49 -0.97 115.15 119.71 1ufb h HIS 13 Ca 0.02 -0.15 0.07 0.00 -2.20 0.00 0.00 60.37 58.11 1ufb h HIS 13 Cb 0.86 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 29.59 1ufb h HIS 13 CO 0.02 0.79 0.40 -0.91 -1.30 0.00 0.00 177.93 176.93 1ufb h ASN 14 N 0.39 0.59 -0.62 3.26 2.35 -0.01 0.13 115.58 121.67 1ufb h ASN 14 Ca 0.08 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 1ufb h ASN 14 Cb 0.57 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1ufb h ASN 14 CO 0.03 0.37 0.07 0.25 -1.65 0.00 0.00 177.43 176.50 1ufb h LEU 15 N 0.72 1.02 -1.12 1.61 5.85 -0.84 0.20 115.31 122.75 1ufb h LEU 15 Ca 0.33 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1ufb h LEU 15 Cb 0.23 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1ufb h LEU 15 CO -0.20 1.04 0.21 0.03 -0.34 0.00 0.00 178.44 179.18 1ufb h ARG 16 N 0.96 0.83 -0.62 1.25 3.08 -0.66 -0.32 114.38 118.90 1ufb h ARG 16 Ca 0.18 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1ufb h ARG 16 Cb 0.48 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1ufb h ARG 16 CO 0.02 0.69 0.12 1.25 -1.07 0.00 0.00 179.97 180.98 1ufb h HIS 17 N 0.82 1.05 -0.69 3.04 2.76 -0.02 -0.40 115.15 121.71 1ufb h HIS 17 Ca 0.19 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1ufb h HIS 17 Cb 0.18 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 1ufb h HIS 17 CO 0.01 0.88 0.35 0.00 -1.30 0.00 0.00 177.93 177.88 1ufb h ALA 18 N 1.18 0.88 -0.15 5.26 0.00 0.19 0.14 119.26 126.75 1ufb h ALA 18 Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ufb h ALA 18 Cb 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ufb h ALA 18 CO 0.01 0.42 0.09 1.96 0.00 0.00 0.00 179.25 181.73 1ufb h GLN 19 N 0.95 0.21 -0.32 0.00 4.20 -0.77 -0.45 115.11 118.93 1ufb h GLN 19 Ca 0.24 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 1ufb h GLN 19 Cb 0.08 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1ufb h GLN 19 CO -0.03 0.19 0.08 0.78 -0.67 0.00 0.00 178.83 179.18 1ufb h GLY 20 N 0.17 0.49 0.79 3.46 0.00 -0.74 -0.66 103.07 106.58 1ufb h GLY 20 Ca 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1ufb h GLY 20 CO -0.01 0.23 -0.02 1.76 0.00 0.00 0.00 176.54 178.50 1ufb h SER 21 N 0.45 0.33 -0.62 0.19 0.02 -0.29 -0.45 113.55 113.19 1ufb h SER 21 Ca 0.11 -0.34 0.12 0.00 -0.84 0.00 0.00 61.79 60.84 1ufb h SER 21 Cb 0.16 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 62.53 1ufb h SER 21 CO -0.01 0.59 0.14 0.25 -1.14 0.00 0.00 176.83 176.67 1ufb h LEU 22 N 0.06 0.03 -1.46 5.07 5.85 -0.73 -0.46 115.31 123.67 1ufb h LEU 22 Ca 0.05 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1ufb h LEU 22 Cb 0.43 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1ufb h LEU 22 CO 0.01 0.02 0.39 1.23 -0.34 0.00 0.00 178.44 179.75 1ufb h GLY 23 N 0.28 0.79 1.65 3.75 0.00 -0.57 -1.02 103.07 107.94 1ufb h GLY 23 Ca 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1ufb h GLY 23 CO -0.41 0.25 -0.00 1.04 0.00 0.00 0.00 176.54 177.42 1ufb n LEU 24 N -4.46 0.01 0.00 3.11 4.77 -0.23 -4.89 117.00 115.31 1ufb n LEU 24 Ca 0.07 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1ufb n LEU 24 Cb 0.12 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1ufb n LEU 24 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1ufb n GLY 25 N 1.33 0.50 3.34 -0.72 0.00 -0.39 -4.99 105.19 104.26 1ufb n GLY 25 Ca 0.13 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 45.14 1ufb n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ufb n ASP 26 N 1.01 5.54 -0.06 1.61 8.00 -0.37 -4.86 116.55 127.42 1ufb n ASP 26 Ca 0.00 -3.05 -0.06 0.00 0.71 0.00 0.00 54.79 52.39 1ufb n ASP 26 Cb 0.00 -1.40 0.13 0.00 -0.02 0.00 0.00 41.12 39.83 1ufb n ASP 26 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1ufb h TYR 27 N 6.63 0.77 -0.29 1.24 0.99 -1.89 -1.12 116.97 123.30 1ufb h TYR 27 Ca 0.20 -0.17 -0.05 0.00 2.00 0.00 0.00 58.73 60.71 1ufb h TYR 27 Cb 0.86 -0.19 -0.01 0.00 1.00 0.00 0.00 36.73 38.39 1ufb h TYR 27 CO 0.80 0.84 -0.03 0.00 -0.00 0.00 0.00 178.16 179.77 1ufb h ALA 28 N 1.16 0.40 -0.13 3.88 0.00 -1.87 -1.09 119.26 121.61 1ufb h ALA 28 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1ufb h ALA 28 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ufb h ALA 28 CO 0.05 0.17 -0.13 -1.49 0.00 0.00 0.00 179.25 177.85 1ufb h TRP 29 N 0.31 0.20 -0.48 0.00 4.06 -1.79 0.22 115.95 118.47 1ufb h TRP 29 Ca 0.08 -0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.96 1ufb h TRP 29 Cb 0.48 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.56 1ufb h TRP 29 CO 0.04 0.33 0.12 0.00 -3.56 0.00 0.00 178.44 175.37 1ufb h ALA 30 N 1.68 0.64 -0.66 1.49 0.00 -0.84 0.33 119.26 121.90 1ufb h ALA 30 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1ufb h ALA 30 Cb 0.35 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1ufb h ALA 30 CO 0.02 0.33 0.18 0.00 0.00 0.00 0.00 179.25 179.78 1ufb h PHE 32 N 0.97 0.74 -0.10 0.00 3.57 -0.30 -1.65 116.94 120.17 1ufb h PHE 32 Ca 0.21 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1ufb h PHE 32 Cb 0.34 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1ufb h PHE 32 CO 0.03 0.65 -0.18 0.00 -2.23 0.00 0.00 178.31 176.57 1ufb h ALA 33 N 1.01 1.52 -0.22 2.41 0.00 0.05 -0.38 119.26 123.65 1ufb h ALA 33 Ca 0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1ufb h ALA 33 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ufb h ALA 33 CO -0.01 0.35 0.02 0.00 0.00 0.00 0.00 179.25 179.61 1ufb h ALA 34 N 1.67 0.30 -0.93 0.00 0.00 -0.48 0.13 119.26 119.95 1ufb h ALA 34 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ufb h ALA 34 Cb 0.41 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1ufb h ALA 34 CO 0.03 -0.00 0.62 0.37 0.00 0.00 0.00 179.25 180.26 1ufb h GLN 35 N 0.17 1.22 -0.74 0.00 -0.00 -0.88 -1.78 115.11 113.10 1ufb h GLN 35 Ca 0.07 -0.07 -0.05 0.00 -0.00 0.00 0.00 58.65 58.59 1ufb h GLN 35 Cb 0.36 -0.28 -0.03 0.00 0.00 0.00 0.00 27.48 27.53 1ufb h GLN 35 CO 0.01 0.81 0.26 1.96 0.00 0.00 0.00 178.83 181.87 1ufb h GLN 36 N 1.26 1.12 0.04 1.69 1.08 -0.65 0.63 115.11 120.27 1ufb h GLN 36 Ca 0.34 -0.22 0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1ufb h GLN 36 Cb -0.15 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.08 1ufb h GLN 36 CO -0.07 0.94 -0.18 0.00 -0.95 0.00 0.00 178.83 178.57 1ufb h ALA 37 N 1.13 -0.24 -0.67 3.87 0.00 -0.38 -0.19 119.26 122.77 1ufb h ALA 37 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ufb h ALA 37 Cb 0.26 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1ufb h ALA 37 CO -0.01 -0.68 0.37 0.00 0.00 0.00 0.00 179.25 178.92 1ufb h ALA 38 N 0.58 0.86 -0.23 0.00 0.00 -1.15 0.50 119.26 119.83 1ufb h ALA 38 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ufb h ALA 38 Cb 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ufb h ALA 38 CO -0.14 0.38 0.08 1.49 0.00 0.00 0.00 179.25 181.06 1ufb h GLU 39 N 0.92 0.35 -0.59 0.00 4.81 -0.69 -2.17 114.58 117.21 1ufb h GLU 39 Ca 0.24 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1ufb h GLU 39 Cb 0.04 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1ufb h GLU 39 CO -0.04 0.42 0.25 0.00 -0.73 0.00 0.00 179.01 178.91 1ufb h ALA 40 N 0.92 0.77 -0.35 2.92 0.00 -0.85 -0.32 119.26 122.35 1ufb h ALA 40 Ca 0.08 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ufb h ALA 40 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1ufb h ALA 40 CO -0.00 0.37 0.17 0.00 0.00 0.00 0.00 179.25 179.78 1ufb h ALA 41 N 1.09 0.42 -0.13 0.00 0.00 -0.78 -0.74 119.26 119.13 1ufb h ALA 41 Ca 0.20 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1ufb h ALA 41 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ufb h ALA 41 CO -0.02 -0.21 -0.46 -0.07 0.00 0.00 0.00 179.25 178.49 1ufb h LEU 42 N 0.35 0.33 -1.23 0.00 3.38 -1.27 -1.31 115.31 115.56 1ufb h LEU 42 Ca 0.15 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1ufb h LEU 42 Cb 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1ufb h LEU 42 CO -0.11 0.75 -0.38 0.11 0.09 0.00 0.00 178.44 178.90 1ufb h LYS 43 N 0.25 0.01 -0.42 1.13 1.57 -0.66 -1.19 116.57 117.26 1ufb h LYS 43 Ca 0.02 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 1ufb h LYS 43 Cb 0.91 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1ufb h LYS 43 CO 0.08 0.39 -0.33 0.78 -0.57 0.00 0.00 179.45 179.79 1ufb h GLY 44 N 1.14 1.04 1.01 3.86 0.00 -0.56 -1.90 103.07 107.65 1ufb h GLY 44 Ca -0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 47.33 46.29 1ufb h GLY 44 CO 0.05 0.92 0.36 -2.00 0.00 0.00 0.00 176.54 175.87 1ufb h LEU 45 N 0.79 0.91 -0.42 3.11 5.85 -0.91 0.19 115.31 124.82 1ufb h LEU 45 Ca 0.08 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1ufb h LEU 45 Cb 0.92 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1ufb h LEU 45 CO 0.09 0.76 0.23 0.45 -0.34 0.00 0.00 178.44 179.63 1ufb h HIS 46 N 0.98 0.43 -0.76 1.25 3.86 -0.98 -1.08 115.15 118.85 1ufb h HIS 46 Ca 0.25 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.44 1ufb h HIS 46 Cb 0.08 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1ufb h HIS 46 CO 0.00 0.23 0.33 -0.07 0.86 0.00 0.00 177.93 179.28 1ufb h LEU 47 N 0.46 1.01 -1.72 2.43 3.38 -0.93 0.34 115.31 120.28 1ufb h LEU 47 Ca 0.18 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ufb h LEU 47 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1ufb h LEU 47 CO -0.10 0.88 -0.02 0.00 0.09 0.00 0.00 178.44 179.28 1ufb h ALA 48 N 1.27 1.78 -0.39 1.53 0.00 0.33 -0.91 119.26 122.86 1ufb h ALA 48 Ca 0.26 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1ufb h ALA 48 Cb 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ufb h ALA 48 CO -0.03 0.17 0.06 0.54 0.00 0.00 0.00 179.25 179.99 1ufb n ARG 49 N -4.42 3.14 -0.96 0.00 5.12 -0.28 -4.89 116.66 114.36 1ufb n ARG 49 Ca -0.01 -1.90 0.00 0.00 -1.93 0.00 0.00 57.85 54.01 1ufb n ARG 49 Cb 0.16 -1.93 0.00 0.00 -1.16 0.00 0.00 32.46 29.53 1ufb n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ufb n GLY 50 N 0.25 0.51 3.72 -0.13 0.00 -0.35 -5.03 105.19 104.17 1ufb n GLY 50 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1ufb n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ufb s GLN 51 N -0.40 2.71 -0.29 1.61 -0.21 0.10 -4.96 119.66 118.22 1ufb s GLN 51 Ca 0.00 -0.75 -0.06 0.00 0.02 0.00 0.00 55.36 54.57 1ufb s GLN 51 Cb 0.00 -2.63 0.01 0.00 1.00 0.00 0.00 33.01 31.39 1ufb s GLN 51 CO 0.00 0.56 0.07 0.08 -2.12 0.00 0.00 175.29 173.88 1ufb s VAL 52 N -1.31 3.88 0.24 1.09 1.01 -1.26 -2.34 120.40 121.71 1ufb s VAL 52 Ca 0.26 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1ufb s VAL 52 Cb -0.12 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1ufb s VAL 52 CO 0.19 0.10 0.32 0.00 0.00 0.00 0.00 175.10 175.71 1ufb s ALA 53 N 1.49 3.85 0.23 5.51 0.00 -1.26 -5.08 121.76 126.51 1ufb s ALA 53 Ca 0.02 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1ufb s ALA 53 Cb -0.17 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 1ufb s ALA 53 CO 0.02 0.25 0.11 -1.58 0.00 0.00 0.00 175.76 174.55 1ufb s TRP 54 N -2.01 1.38 0.00 0.00 0.52 -1.26 -5.02 118.94 112.55 1ufb s TRP 54 Ca 0.34 -1.25 0.00 0.00 0.02 0.00 0.00 56.10 55.21 1ufb s TRP 54 Cb -0.09 -0.77 0.00 0.00 -1.15 0.00 0.00 33.47 31.47 1ufb s TRP 54 CO 0.28 -0.45 0.00 0.41 0.02 0.00 0.00 176.95 177.22 1ufb n GLY 55 N -0.38 -2.31 0.05 0.98 0.00 -1.26 -4.69 105.19 97.58 1ufb n GLY 55 Ca 0.01 -1.70 0.04 0.00 0.00 0.00 0.00 46.02 44.37 1ufb n GLY 55 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ufb n HIS 56 N -0.20 0.00 -3.28 1.61 8.25 -1.26 -4.98 115.22 115.36 1ufb n HIS 56 Ca 0.00 -0.63 -0.43 0.00 -0.26 0.00 0.00 57.72 56.40 1ufb n HIS 56 Cb 0.00 -0.08 -0.08 0.00 1.12 0.00 0.00 29.99 30.94 1ufb n HIS 56 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ufb s SER 57 N -1.63 6.21 0.43 0.41 0.15 -1.26 -4.87 113.70 113.13 1ufb s SER 57 Ca 0.12 -0.69 0.10 0.00 0.70 0.00 0.00 55.95 56.18 1ufb s SER 57 Cb 0.10 -2.24 0.95 0.00 -1.71 0.00 0.00 66.02 63.13 1ufb s SER 57 CO 0.01 -0.63 2.04 0.40 1.20 0.00 0.00 173.24 176.26 1ufb h ILE 58 N 5.76 1.03 0.03 6.45 1.08 -1.94 0.31 117.51 130.23 1ufb h ILE 58 Ca -0.26 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1ufb h ILE 58 Cb 1.11 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 1ufb h ILE 58 CO 0.82 0.08 -0.01 -0.07 -0.69 0.00 0.00 178.15 178.28 1ufb h LEU 59 N 0.46 -0.03 -0.93 1.44 3.38 -1.91 -0.00 115.31 117.72 1ufb h LEU 59 Ca 0.18 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1ufb h LEU 59 Cb 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1ufb h LEU 59 CO -0.04 0.04 0.02 0.44 0.09 0.00 0.00 178.44 178.99 1ufb h ASP 60 N -0.10 0.77 -0.58 -0.43 3.32 -1.91 -0.73 116.42 116.76 1ufb h ASP 60 Ca -0.00 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 1ufb h ASP 60 Cb 0.09 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1ufb h ASP 60 CO 0.01 0.82 0.17 -0.07 -1.72 0.00 0.00 179.24 178.45 1ufb h LEU 61 N 0.76 0.88 -0.22 1.55 3.38 -0.51 -1.15 115.31 120.00 1ufb h LEU 61 Ca 0.15 -0.16 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 1ufb h LEU 61 Cb 0.43 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ufb h LEU 61 CO 0.02 0.85 -0.84 -0.07 0.09 0.00 0.00 178.44 178.48 1ufb h LEU 62 N 0.91 0.69 -1.03 1.67 3.38 -0.92 -3.33 115.31 116.68 1ufb h LEU 62 Ca 0.20 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 1ufb h LEU 62 Cb 0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ufb h LEU 62 CO -0.00 1.27 -0.45 0.00 0.09 0.00 0.00 178.44 179.35 1ufb h ALA 63 N 0.70 1.19 -0.05 1.53 0.00 -0.79 -2.99 119.26 118.85 1ufb h ALA 63 Ca -0.06 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ufb h ALA 63 Cb 1.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ufb h ALA 63 CO 0.16 0.59 0.00 -0.25 0.00 0.00 0.00 179.25 179.74 1ufb n ASP 64 N -4.00 0.68 -4.79 0.00 8.00 -0.46 -4.90 116.55 111.08 1ufb n ASP 64 Ca -0.02 -1.47 -0.34 0.00 0.71 0.00 0.00 54.79 53.68 1ufb n ASP 64 Cb 0.49 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 1ufb n ASP 64 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ufb s LEU 65 N -1.67 3.72 0.86 0.64 1.43 -1.13 -4.98 118.68 117.55 1ufb s LEU 65 Ca 0.33 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 55.24 1ufb s LEU 65 Cb 0.16 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.82 1ufb s LEU 65 CO 0.26 -1.01 0.36 -2.65 0.23 0.00 0.00 176.35 173.54 1ufb n PRO 66 N -1.37 -0.04 0.21 1.29 -0.02 -1.26 -4.86 135.00 128.95 1ufb n PRO 66 Ca 0.10 0.03 0.07 0.00 -2.02 0.00 0.00 63.50 61.68 1ufb n PRO 66 Cb 0.52 -1.77 0.58 0.00 -0.02 0.00 0.00 33.50 32.81 1ufb n PRO 66 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ufb h GLU 67 N -1.05 0.09 0.00 -0.52 4.81 -1.97 -2.13 114.58 113.81 1ufb h GLU 67 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1ufb h GLU 67 Cb 1.31 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1ufb h GLU 67 CO 0.37 0.09 0.00 -0.40 -0.73 0.00 0.00 179.01 178.34 1ufb n ASP 68 N -4.49 0.28 -4.61 1.04 5.75 -1.26 -4.57 116.55 108.68 1ufb n ASP 68 Ca -0.02 0.56 -0.39 0.00 -0.01 0.00 0.00 54.79 54.93 1ufb n ASP 68 Cb 0.11 -0.62 -0.09 0.00 -1.03 0.00 0.00 41.12 39.49 1ufb n ASP 68 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ufb s VAL 69 N -3.12 5.19 -0.34 2.12 1.01 -0.80 -5.04 120.40 119.42 1ufb s VAL 69 Ca 0.07 0.55 -0.22 0.00 0.00 0.00 0.00 61.98 62.39 1ufb s VAL 69 Cb 0.10 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1ufb s VAL 69 CO 0.34 0.17 0.69 -0.62 0.00 0.00 0.00 175.10 175.69 1ufb s ASP 70 N 1.60 6.52 -0.34 3.32 -1.08 -1.26 -4.89 116.67 120.53 1ufb s ASP 70 Ca 0.15 0.36 -0.17 0.00 -0.52 0.00 0.00 52.55 52.36 1ufb s ASP 70 Cb -0.16 -2.36 -0.01 0.00 -1.46 0.00 0.00 42.92 38.94 1ufb s ASP 70 CO 0.10 -0.60 0.48 -0.69 0.52 0.00 0.00 175.17 174.98 1ufb s VAL 71 N 2.81 5.05 0.35 1.11 1.01 -1.26 -5.05 120.40 124.42 1ufb s VAL 71 Ca 0.28 0.34 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 1ufb s VAL 71 Cb -0.14 -3.92 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 1ufb s VAL 71 CO 0.14 -0.16 1.28 -2.84 0.00 0.00 0.00 175.10 173.52 1ufb s PRO 72 N 2.32 4.26 0.45 2.72 0.02 -1.26 -4.89 135.00 138.62 1ufb s PRO 72 Ca 0.18 2.13 0.21 0.00 0.02 0.00 0.00 61.00 63.54 1ufb s PRO 72 Cb -0.16 -2.97 1.20 0.00 0.02 0.00 0.00 34.50 32.59 1ufb s PRO 72 CO 0.13 -0.24 1.88 1.49 -0.33 0.00 0.00 177.00 179.93 1ufb h GLU 73 N 3.18 0.28 0.00 5.54 4.57 -2.01 0.17 114.58 126.31 1ufb h GLU 73 Ca -0.49 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1ufb h GLU 73 Cb 1.23 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1ufb h GLU 73 CO 0.65 0.18 0.00 -0.40 -1.18 0.00 0.00 179.01 178.26 1ufb n ASP 74 N -4.45 0.41 0.07 1.04 5.75 -1.26 -1.91 116.55 116.20 1ufb n ASP 74 Ca 0.18 0.61 0.00 0.00 -0.01 0.00 0.00 54.79 55.57 1ufb n ASP 74 Cb 0.74 -0.69 -0.05 0.00 -1.03 0.00 0.00 41.12 40.09 1ufb n ASP 74 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1ufb h LEU 75 N 0.00 0.00 -0.34 -2.12 3.38 -1.01 -2.38 115.31 112.84 1ufb h LEU 75 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1ufb h LEU 75 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ufb h LEU 75 CO 0.00 0.59 -0.37 0.58 0.09 0.00 0.00 178.44 179.33 1ufb h VAL 76 N 0.00 1.28 -0.48 1.22 2.07 -1.40 0.48 116.25 119.43 1ufb h VAL 76 Ca -0.09 -1.54 -0.10 0.00 0.82 0.00 0.00 66.70 65.78 1ufb h VAL 76 Cb 1.54 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 1ufb h VAL 76 CO 0.06 0.51 -0.10 -0.33 0.02 0.00 0.00 177.57 177.73 1ufb h GLU 77 N 0.65 0.87 -0.56 1.57 4.39 -1.45 -1.95 114.58 118.09 1ufb h GLU 77 Ca 0.05 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.41 1ufb h GLU 77 Cb 0.96 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1ufb h GLU 77 CO 0.09 0.93 0.16 0.00 -1.16 0.00 0.00 179.01 179.03 1ufb h ALA 78 N 1.10 0.74 -0.99 3.43 0.00 -1.14 -2.74 119.26 119.66 1ufb h ALA 78 Ca 0.13 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1ufb h ALA 78 Cb 0.61 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1ufb h ALA 78 CO 0.04 0.42 0.64 0.00 0.00 0.00 0.00 179.25 180.35 1ufb h ALA 79 N 1.04 1.37 -0.29 0.00 0.00 -0.60 -0.82 119.26 119.95 1ufb h ALA 79 Ca 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ufb h ALA 79 Cb 0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ufb h ALA 79 CO -0.00 0.44 0.17 0.87 0.00 0.00 0.00 179.25 180.72 1ufb h LYS 80 N 1.17 0.40 0.21 0.00 1.57 -1.15 -0.77 116.57 118.00 1ufb h LYS 80 Ca 0.43 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 1ufb h LYS 80 Cb 0.16 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ufb h LYS 80 CO -0.17 0.33 -0.10 0.28 -0.57 0.00 0.00 179.45 179.21 1ufb h VAL 81 N 0.36 0.84 -0.07 0.50 2.07 -1.14 -3.17 116.25 115.64 1ufb h VAL 81 Ca 0.10 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1ufb h VAL 81 Cb 0.04 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1ufb h VAL 81 CO -0.02 0.06 -0.10 -0.07 0.02 0.00 0.00 177.57 177.47 1ufb h LEU 82 N -0.42 0.10 -2.17 2.57 3.38 -1.09 -2.64 115.31 115.04 1ufb h LEU 82 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1ufb h LEU 82 Cb 0.32 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ufb h LEU 82 CO 0.05 0.21 -0.04 0.44 0.09 0.00 0.00 178.44 179.19 1ufb h ASP 83 N 0.11 0.00 -0.00 -0.43 3.32 -1.10 -0.55 116.42 117.77 1ufb h ASP 83 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1ufb h ASP 83 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1ufb h ASP 83 CO 0.01 0.04 0.00 0.29 -1.72 0.00 0.00 179.24 177.87 1ufb n LYS 84 N -4.03 1.01 0.00 3.56 5.02 -0.99 -3.38 118.16 119.36 1ufb n LYS 84 Ca -0.03 -0.02 0.10 0.00 -2.02 0.00 0.00 58.31 56.34 1ufb n LYS 84 Cb 0.13 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.68 1ufb n LYS 84 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ufb n TYR 85 N -0.97 0.00 -0.05 2.13 0.53 -0.21 -4.15 117.16 114.43 1ufb n TYR 85 Ca 0.24 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.99 1ufb n TYR 85 Cb 0.11 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.35 1ufb n TYR 85 CO 0.00 0.00 0.00 -0.92 -1.02 0.00 0.00 176.86 174.92 1ufb h TYR 86 N 3.01 0.34 0.00 -0.72 3.20 -1.68 -3.38 116.97 117.74 1ufb h TYR 86 Ca 0.00 -0.09 -0.39 0.00 3.14 0.00 0.00 58.73 61.39 1ufb h TYR 86 Cb 0.76 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.90 1ufb h TYR 86 CO 0.00 0.66 -2.30 -0.89 -1.64 0.00 0.00 178.16 174.00 1ufb n ILE 87 N -4.64 1.28 0.27 1.81 5.41 -1.26 -4.65 119.36 117.58 1ufb n ILE 87 Ca -0.06 -0.34 0.18 0.00 1.00 0.00 0.00 62.75 63.52 1ufb n ILE 87 Cb 0.32 -1.76 0.93 0.00 -0.71 0.00 0.00 39.64 38.42 1ufb n ILE 87 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1ufb h PRO 88 N -0.74 0.00 0.00 0.38 0.11 -1.82 -1.29 132.00 128.64 1ufb h PRO 88 Ca -0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1ufb h PRO 88 Cb 1.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.66 1ufb h PRO 88 CO -0.33 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.25 1ufb h THR 89 N 0.00 0.00 0.00 -1.15 1.35 -1.82 -3.35 112.91 107.95 1ufb h THR 89 Ca 0.04 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1ufb h THR 89 Cb 0.36 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1ufb h THR 89 CO -0.00 0.00 -0.66 0.54 -0.25 0.00 0.00 175.52 175.15 1ufb n ARG 90 N -2.45 2.31 -3.86 4.72 1.74 -0.54 -4.35 116.66 114.23 1ufb n ARG 90 Ca 0.04 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.76 1ufb n ARG 90 Cb 0.36 -0.82 -0.13 0.00 -1.02 0.00 0.00 32.46 30.84 1ufb n ARG 90 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ufb s TYR 91 N -1.63 3.10 0.51 -1.55 1.51 -0.87 -4.75 117.35 113.67 1ufb s TYR 91 Ca 0.00 -1.21 0.23 0.00 -1.01 0.00 0.00 57.07 55.08 1ufb s TYR 91 Cb 0.00 -2.16 1.33 0.00 -0.11 0.00 0.00 41.96 41.03 1ufb s TYR 91 CO 0.00 -0.64 1.99 -1.35 -1.11 0.00 0.00 175.55 174.45 1ufb h PRO 92 N 8.13 0.06 0.00 -1.71 0.11 -1.87 -2.33 132.00 134.39 1ufb h PRO 92 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1ufb h PRO 92 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ufb h PRO 92 CO 0.59 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 1ufb n ASP 93 N -4.40 0.00 -0.35 -2.05 5.75 -1.26 -1.31 116.55 112.92 1ufb n ASP 93 Ca 0.10 -0.28 0.06 0.00 -0.01 0.00 0.00 54.79 54.66 1ufb n ASP 93 Cb 0.56 -0.16 0.25 0.00 -1.03 0.00 0.00 41.12 40.74 1ufb n ASP 93 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ufb n ALA 94 N -1.16 2.51 -2.22 2.12 0.00 -0.88 -4.89 120.51 116.00 1ufb n ALA 94 Ca 0.12 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1ufb n ALA 94 Cb 0.12 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 1ufb n ALA 94 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1ufb s HIS 95 N -1.79 1.13 -0.05 0.00 3.76 -0.43 -5.02 115.29 112.89 1ufb s HIS 95 Ca 0.21 -1.12 0.14 0.00 -0.15 0.00 0.00 55.06 54.14 1ufb s HIS 95 Cb 0.11 -0.64 0.13 0.00 1.11 0.00 0.00 32.58 33.29 1ufb s HIS 95 CO 0.16 -0.34 1.47 -1.00 -0.85 0.00 0.00 174.74 174.17 1ufb h PRO 96 N 2.71 0.00 -2.58 8.40 0.13 -1.90 -3.47 132.00 135.29 1ufb h PRO 96 Ca -0.36 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.74 1ufb h PRO 96 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 1ufb h PRO 96 CO 0.61 0.57 0.23 0.00 -0.23 0.00 0.00 178.00 179.17 1ufb s ALA 97 N -3.03 -1.68 0.00 -0.56 0.00 -1.26 -5.11 121.76 110.12 1ufb s ALA 97 Ca 0.03 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1ufb s ALA 97 Cb 0.09 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1ufb s ALA 97 CO 0.75 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.30 1ufb n GLY 98 N 0.09 -0.88 3.80 0.00 0.00 -1.26 -4.92 105.19 102.02 1ufb n GLY 98 Ca -0.17 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 1ufb n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ufb s PRO 99 N -1.27 2.74 0.53 1.61 0.04 -1.26 -4.72 135.00 132.67 1ufb s PRO 99 Ca 0.00 1.08 0.22 0.00 0.04 0.00 0.00 61.00 62.33 1ufb s PRO 99 Cb 0.00 -1.96 1.42 0.00 0.04 0.00 0.00 34.50 33.99 1ufb s PRO 99 CO 0.00 -1.26 2.14 0.00 0.04 0.00 0.00 177.00 177.92 1ufb h ALA 100 N -0.69 1.69 0.00 8.56 0.00 -1.85 -2.76 119.26 124.20 1ufb h ALA 100 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ufb h ALA 100 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ufb h ALA 100 CO 0.55 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1ufb n ALA 101 N -2.43 2.15 -0.28 0.00 0.00 -1.26 -4.23 120.51 114.46 1ufb n ALA 101 Ca -0.03 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.40 1ufb n ALA 101 Cb 0.14 -1.42 0.15 0.00 0.00 0.00 0.00 19.45 18.32 1ufb n ALA 101 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ufb h ARG 102 N 0.00 0.05 -0.35 0.00 2.43 -1.87 -2.32 114.38 112.32 1ufb h ARG 102 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ufb h ARG 102 Cb 0.49 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1ufb h ARG 102 CO 0.00 0.03 0.00 0.72 -1.51 0.00 0.00 179.97 179.21 1ufb n HIS 103 N -5.43 0.45 -2.80 2.20 8.25 -1.26 -4.94 115.22 111.69 1ufb n HIS 103 Ca 0.14 -0.22 -0.40 0.00 -0.26 0.00 0.00 57.72 56.97 1ufb n HIS 103 Cb 0.49 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.55 1ufb n HIS 103 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1ufb s TYR 104 N -1.55 3.84 0.40 4.41 1.51 -0.87 -5.06 117.35 120.03 1ufb s TYR 104 Ca 0.37 1.75 0.08 0.00 -1.01 0.00 0.00 57.07 58.25 1ufb s TYR 104 Cb 0.21 -2.97 -0.02 0.00 -0.11 0.00 0.00 41.96 39.06 1ufb s TYR 104 CO 0.29 0.30 0.36 0.95 -1.11 0.00 0.00 175.55 176.33 1ufb s THR 105 N -0.34 2.81 0.08 -0.71 -4.23 -1.26 -4.82 115.64 107.17 1ufb s THR 105 Ca 0.43 -1.36 -0.18 0.00 -1.18 0.00 0.00 61.69 59.40 1ufb s THR 105 Cb -0.23 -3.03 -0.08 0.00 1.34 0.00 0.00 72.50 70.49 1ufb s THR 105 CO 0.29 -0.03 1.49 -0.09 -0.54 0.00 0.00 174.62 175.73 1ufb h ARG 106 N 1.08 0.48 -0.87 3.99 2.43 -1.97 -2.06 114.38 117.46 1ufb h ARG 106 Ca -0.42 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 58.58 1ufb h ARG 106 Cb 1.26 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 1ufb h ARG 106 CO 0.58 0.69 0.58 1.25 -1.51 0.00 0.00 179.97 181.55 1ufb h LEU 107 N 0.23 1.00 -0.94 3.80 5.85 -1.99 0.38 115.31 123.65 1ufb h LEU 107 Ca 0.07 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1ufb h LEU 107 Cb 0.50 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1ufb h LEU 107 CO 0.02 0.72 0.52 -0.33 -0.34 0.00 0.00 178.44 179.03 1ufb h GLU 108 N 1.18 1.27 -0.45 1.25 5.08 -1.92 -0.87 114.58 120.11 1ufb h GLU 108 Ca 0.32 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 1ufb h GLU 108 Cb -0.13 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.85 1ufb h GLU 108 CO -0.07 0.91 -0.23 0.00 -1.00 0.00 0.00 179.01 178.61 1ufb h ALA 109 N 1.30 0.73 -0.61 3.43 0.00 -0.59 -0.46 119.26 123.05 1ufb h ALA 109 Ca 0.33 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ufb h ALA 109 Cb -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1ufb h ALA 109 CO -0.06 0.67 0.14 0.93 0.00 0.00 0.00 179.25 180.94 1ufb h GLU 110 N 0.80 0.98 -0.59 0.00 5.08 -0.56 -0.95 114.58 119.34 1ufb h GLU 110 Ca 0.10 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 1ufb h GLU 110 Cb 0.80 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1ufb h GLU 110 CO 0.07 0.90 0.06 1.49 -1.00 0.00 0.00 179.01 180.53 1ufb h GLU 111 N 0.90 1.01 -0.14 2.33 4.81 -0.99 -1.98 114.58 120.50 1ufb h GLU 111 Ca 0.19 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1ufb h GLU 111 Cb 0.36 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1ufb h GLU 111 CO 0.00 0.96 -0.07 0.00 -0.73 0.00 0.00 179.01 179.17 1ufb h ALA 112 N 1.00 0.05 -0.50 2.92 0.00 -0.60 0.11 119.26 122.24 1ufb h ALA 112 Ca 0.18 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1ufb h ALA 112 Cb 0.47 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 1ufb h ALA 112 CO 0.02 -0.52 0.02 -0.07 0.00 0.00 0.00 179.25 178.70 1ufb h LEU 113 N -0.06 -0.17 -0.89 0.00 3.38 -1.02 -0.01 115.31 116.54 1ufb h LEU 113 Ca 0.08 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1ufb h LEU 113 Cb 0.18 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1ufb h LEU 113 CO -0.18 -0.05 0.46 0.44 0.09 0.00 0.00 178.44 179.20 1ufb h ASP 114 N 0.14 1.13 -0.35 -0.43 3.32 -0.61 0.07 116.42 119.69 1ufb h ASP 114 Ca 0.25 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1ufb h ASP 114 Cb 0.37 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1ufb h ASP 114 CO -0.40 0.92 0.00 -0.07 -1.72 0.00 0.00 179.24 177.98 1ufb h LEU 115 N 1.25 0.61 -0.70 1.55 3.38 -0.37 -1.26 115.31 119.78 1ufb h LEU 115 Ca 0.31 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1ufb h LEU 115 Cb 0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1ufb h LEU 115 CO -0.05 0.77 0.20 0.00 0.09 0.00 0.00 178.44 179.45 1ufb h ALA 116 N 0.86 0.92 -0.91 1.53 0.00 -0.89 -1.78 119.26 119.00 1ufb h ALA 116 Ca 0.10 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ufb h ALA 116 Cb 0.45 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1ufb h ALA 116 CO 0.02 0.62 0.58 0.37 0.00 0.00 0.00 179.25 180.84 1ufb h GLN 117 N 1.04 1.08 -0.82 0.00 5.75 -0.74 0.20 115.11 121.63 1ufb h GLN 117 Ca 0.22 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1ufb h GLN 117 Cb 0.33 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 1ufb h GLN 117 CO -0.00 0.71 0.54 0.87 -2.65 0.00 0.00 178.83 178.30 1ufb h LYS 118 N 1.11 1.08 -0.42 1.69 1.57 -0.68 0.36 116.57 121.27 1ufb h LYS 118 Ca 0.37 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.99 1ufb h LYS 118 Cb 0.05 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1ufb h LYS 118 CO -0.13 0.71 -0.11 0.82 -0.57 0.00 0.00 179.45 180.17 1ufb h ILE 119 N 1.11 1.27 -0.64 1.86 1.08 -0.41 -1.92 117.51 119.87 1ufb h ILE 119 Ca 0.30 -1.22 -0.06 0.00 -0.39 0.00 0.00 64.86 63.49 1ufb h ILE 119 Cb -0.13 1.19 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 1ufb h ILE 119 CO -0.06 0.41 0.17 -0.07 -0.69 0.00 0.00 178.15 177.91 1ufb h LEU 120 N 0.64 0.95 -0.74 1.44 4.07 -0.05 -0.74 115.31 120.89 1ufb h LEU 120 Ca 0.11 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 1ufb h LEU 120 Cb 0.65 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.11 1ufb h LEU 120 CO 0.04 0.92 0.42 0.00 -1.08 0.00 0.00 178.44 178.75 1ufb h ALA 121 N 1.06 0.94 -0.29 1.53 0.00 -0.90 0.16 119.26 121.77 1ufb h ALA 121 Ca 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ufb h ALA 121 Cb 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ufb h ALA 121 CO -0.00 0.43 0.18 0.35 0.00 0.00 0.00 179.25 180.21 1ufb h PHE 122 N 1.01 0.37 -0.13 0.00 3.57 -1.02 -1.33 116.94 119.41 1ufb h PHE 122 Ca 0.26 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1ufb h PHE 122 Cb 0.00 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1ufb h PHE 122 CO -0.01 0.26 0.04 0.28 -2.23 0.00 0.00 178.31 176.65 1ufb h VAL 123 N 0.37 1.19 -0.70 1.41 2.07 -0.46 -1.05 116.25 119.08 1ufb h VAL 123 Ca 0.10 -0.59 0.10 0.00 0.82 0.00 0.00 66.70 67.13 1ufb h VAL 123 Cb -0.01 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 1ufb h VAL 123 CO -0.02 0.18 0.32 -0.33 0.02 0.00 0.00 177.57 177.74 1ufb h GLU 124 N 0.02 0.53 -0.42 1.57 5.08 -0.53 0.14 114.58 120.98 1ufb h GLU 124 Ca 0.04 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1ufb h GLU 124 Cb 0.24 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1ufb h GLU 124 CO -0.00 0.35 0.12 1.49 -1.00 0.00 0.00 179.01 179.97 1ufb h GLU 125 N 0.55 0.67 0.00 2.33 4.81 -0.94 -3.13 114.58 118.87 1ufb h GLU 125 Ca 0.35 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1ufb h GLU 125 Cb 0.40 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1ufb h GLU 125 CO -0.29 0.67 -0.06 1.63 -0.73 0.00 0.00 179.01 180.23 1ufb n LYS 126 N -4.56 0.09 0.00 1.92 4.76 -0.43 -5.11 118.16 114.83 1ufb n LYS 126 Ca 0.00 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1ufb n LYS 126 Cb 0.20 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1ufb n LYS 126 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92