#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 -2.94 0.00 7.83 0.23 -1.26 -1.75 115.26 117.37 1ufb n ASN 2 Ca 0.00 -0.86 0.00 0.00 -0.53 0.00 0.00 54.58 53.19 1ufb n ASN 2 Cb 0.00 -3.62 0.00 0.00 -2.08 0.00 0.00 39.78 34.08 1ufb n ASN 2 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1ufb n ARG 3 N -4.49 -0.30 -0.20 -3.83 1.74 -1.26 -4.85 116.66 103.47 1ufb n ARG 3 Ca -0.10 0.07 0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1ufb n ARG 3 Cb 0.58 -3.44 0.12 0.00 -1.02 0.00 0.00 32.46 28.70 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 0.77 -0.26 7.54 0.00 -1.60 -1.27 119.26 124.44 1ufb h ALA 4 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ufb h ALA 4 Cb 0.15 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ufb h ALA 4 CO 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 179.25 179.08 1ufb h ARG 5 N 0.33 0.36 -0.61 0.00 2.47 -1.90 -0.35 114.38 114.68 1ufb h ARG 5 Ca 0.32 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.90 1ufb h ARG 5 Cb 0.45 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1ufb h ARG 5 CO -0.37 0.32 -0.00 -0.44 0.56 0.00 0.00 179.97 180.04 1ufb h ASP 6 N 0.36 1.06 0.19 7.04 3.32 -1.65 -0.48 116.42 126.26 1ufb h ASP 6 Ca 0.09 -0.30 -0.17 0.00 0.02 0.00 0.00 57.03 56.67 1ufb h ASP 6 Cb 0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1ufb h ASP 6 CO -0.01 1.10 -0.64 -0.50 -1.72 0.00 0.00 179.24 177.48 1ufb h TRP 7 N 0.98 0.55 -0.52 4.55 4.06 -0.92 -0.43 115.95 124.23 1ufb h TRP 7 Ca 0.17 -0.22 -0.11 0.00 2.06 0.00 0.00 58.89 60.79 1ufb h TRP 7 Cb 0.57 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.61 1ufb h TRP 7 CO 0.04 0.94 -0.13 -0.07 -3.56 0.00 0.00 178.44 175.67 1ufb h LEU 8 N 0.31 0.98 -0.80 -4.49 -0.00 -0.88 0.11 115.31 110.54 1ufb h LEU 8 Ca -0.01 -0.33 -0.03 0.00 -0.00 0.00 0.00 57.88 57.51 1ufb h LEU 8 Cb 1.18 -0.27 -0.04 0.00 -0.00 0.00 0.00 40.66 41.54 1ufb h LEU 8 CO 0.11 1.11 0.40 -0.33 -0.00 0.00 0.00 178.44 179.72 1ufb h GLU 9 N 0.87 1.15 -0.41 1.13 5.08 -0.94 -0.47 114.58 120.98 1ufb h GLU 9 Ca 0.13 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ufb h GLU 9 Cb 0.68 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1ufb h GLU 9 CO 0.05 0.88 0.25 0.37 -1.00 0.00 0.00 179.01 179.57 1ufb h GLN 10 N 1.14 0.56 -0.60 2.33 5.75 -0.76 0.11 115.11 123.64 1ufb h GLN 10 Ca 0.28 -0.05 0.11 0.00 -0.15 0.00 0.00 58.65 58.83 1ufb h GLN 10 Cb 0.10 -0.12 -0.08 0.00 1.07 0.00 0.00 27.48 28.46 1ufb h GLN 10 CO -0.04 0.41 0.16 0.00 -2.65 0.00 0.00 178.83 176.72 1ufb h ALA 11 N 1.12 0.73 -0.51 3.38 0.00 -0.10 0.86 119.26 124.74 1ufb h ALA 11 Ca 0.15 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 1ufb h ALA 11 Cb -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ufb h ALA 11 CO -0.03 -0.27 -0.16 0.00 0.00 0.00 0.00 179.25 178.80 1ufb h ARG 12 N 0.31 0.99 -0.62 0.00 3.08 -0.71 -1.21 114.38 116.21 1ufb h ARG 12 Ca 0.31 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1ufb h ARG 12 Cb 0.43 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1ufb h ARG 12 CO -0.36 1.06 0.26 1.25 -1.07 0.00 0.00 179.97 181.11 1ufb h HIS 13 N 0.87 0.90 -0.38 3.04 2.76 0.12 -1.33 115.15 121.13 1ufb h HIS 13 Ca 0.13 -0.04 -0.10 0.00 -2.20 0.00 0.00 60.37 58.16 1ufb h HIS 13 Cb 0.72 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 1ufb h HIS 13 CO 0.05 0.68 -0.16 -0.91 -1.30 0.00 0.00 177.93 176.28 1ufb h ASN 14 N 0.89 0.69 -0.17 3.26 2.35 -0.63 0.82 115.58 122.79 1ufb h ASN 14 Ca 0.21 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1ufb h ASN 14 Cb 0.15 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1ufb h ASN 14 CO -0.02 0.86 -0.13 0.25 -1.65 0.00 0.00 177.43 176.74 1ufb h LEU 15 N 0.62 0.40 -1.09 1.61 5.85 -0.92 -0.11 115.31 121.67 1ufb h LEU 15 Ca 0.10 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.39 1ufb h LEU 15 Cb 0.63 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1ufb h LEU 15 CO 0.04 0.77 0.61 0.03 -0.34 0.00 0.00 178.44 179.55 1ufb h ARG 16 N 0.03 1.19 -0.35 1.25 3.08 -1.10 0.51 114.38 119.00 1ufb h ARG 16 Ca 0.03 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1ufb h ARG 16 Cb 0.64 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1ufb h ARG 16 CO 0.03 0.79 -0.07 1.25 -1.07 0.00 0.00 179.97 180.90 1ufb h HIS 17 N 1.23 0.61 -0.54 3.04 2.76 -0.54 -0.08 115.15 121.64 1ufb h HIS 17 Ca 0.35 -0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.40 1ufb h HIS 17 Cb -0.09 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 1ufb h HIS 17 CO -0.00 0.64 0.18 0.00 -1.30 0.00 0.00 177.93 177.45 1ufb h ALA 18 N 1.39 0.70 -0.58 5.26 0.00 0.25 0.11 119.26 126.39 1ufb h ALA 18 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ufb h ALA 18 Cb 0.46 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1ufb h ALA 18 CO 0.02 0.35 0.38 1.96 0.00 0.00 0.00 179.25 181.96 1ufb h GLN 19 N 0.74 0.77 -0.26 0.00 4.20 -0.56 -0.63 115.11 119.37 1ufb h GLN 19 Ca 0.17 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 1ufb h GLN 19 Cb 0.25 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1ufb h GLN 19 CO -0.01 0.53 -0.25 0.78 -0.67 0.00 0.00 178.83 179.21 1ufb h GLY 20 N 0.79 0.55 1.02 3.46 0.00 -0.84 -2.08 103.07 105.97 1ufb h GLY 20 Ca 0.21 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1ufb h GLY 20 CO -0.04 0.41 0.25 1.76 0.00 0.00 0.00 176.54 178.92 1ufb h SER 21 N 0.44 0.96 -0.25 0.19 0.02 -0.35 0.28 113.55 114.85 1ufb h SER 21 Ca 0.06 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1ufb h SER 21 Cb 0.68 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1ufb h SER 21 CO 0.05 0.89 0.11 0.25 -1.14 0.00 0.00 176.83 176.99 1ufb h LEU 22 N 0.98 0.14 -2.07 5.07 5.85 -0.71 0.61 115.31 125.19 1ufb h LEU 22 Ca 0.22 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1ufb h LEU 22 Cb 0.24 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1ufb h LEU 22 CO -0.01 0.12 -0.01 1.23 -0.34 0.00 0.00 178.44 179.42 1ufb h GLY 23 N 0.23 0.00 1.55 3.75 0.00 -0.73 0.19 103.07 108.06 1ufb h GLY 23 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1ufb h GLY 23 CO -0.09 0.00 -0.05 1.04 0.00 0.00 0.00 176.54 177.44 1ufb n LEU 24 N -4.38 0.12 0.00 3.11 4.77 0.03 -4.89 117.00 115.76 1ufb n LEU 24 Ca -0.03 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1ufb n LEU 24 Cb 0.10 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1ufb n LEU 24 CO 0.33 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1ufb n GLY 25 N 1.36 0.53 3.30 -0.72 0.00 0.67 -4.97 105.19 105.36 1ufb n GLY 25 Ca 0.11 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 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 0.11 5.38 -0.21 1.61 8.00 0.10 -4.85 116.55 126.69 1ufb n ASP 26 Ca 0.00 -3.05 -0.09 0.00 0.71 0.00 0.00 54.79 52.36 1ufb n ASP 26 Cb 0.00 -1.48 0.02 0.00 -0.02 0.00 0.00 41.12 39.64 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 6.64 1.11 -0.32 1.24 0.99 -1.85 -0.67 116.97 124.11 1ufb h TYR 27 Ca 0.29 -0.18 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 1ufb h TYR 27 Cb 0.81 -0.29 -0.01 0.00 1.00 0.00 0.00 36.73 38.23 1ufb h TYR 27 CO 1.03 0.98 0.11 0.00 -0.00 0.00 0.00 178.16 180.27 1ufb h ALA 28 N 0.99 0.41 -0.63 3.88 0.00 -1.81 -0.53 119.26 121.58 1ufb h ALA 28 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ufb h ALA 28 Cb 0.51 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1ufb h ALA 28 CO 0.02 0.04 0.37 -1.49 0.00 0.00 0.00 179.25 178.20 1ufb h TRP 29 N 0.36 0.83 -0.72 0.00 4.06 -1.78 -0.10 115.95 118.60 1ufb h TRP 29 Ca 0.10 -0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.98 1ufb h TRP 29 Cb 0.23 -0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 28.09 1ufb h TRP 29 CO 0.00 0.56 0.18 0.00 -3.56 0.00 0.00 178.44 175.63 1ufb h ALA 30 N 1.54 0.96 -0.57 1.49 0.00 -0.66 0.30 119.26 122.32 1ufb h ALA 30 Ca 0.23 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1ufb h ALA 30 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1ufb h ALA 30 CO -0.04 0.67 -0.00 0.00 0.00 0.00 0.00 179.25 179.88 1ufb h PHE 32 N 0.89 0.57 0.00 0.00 3.57 -0.76 -1.45 116.94 119.76 1ufb h PHE 32 Ca 0.16 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1ufb h PHE 32 Cb 0.55 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1ufb h PHE 32 CO 0.04 0.43 -0.18 0.00 -2.23 0.00 0.00 178.31 176.37 1ufb h ALA 33 N 1.09 1.57 -0.23 2.41 0.00 -0.73 -0.77 119.26 122.59 1ufb h ALA 33 Ca 0.15 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1ufb h ALA 33 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ufb h ALA 33 CO -0.02 0.22 -0.54 0.00 0.00 0.00 0.00 179.25 178.91 1ufb h ALA 34 N 1.82 0.37 -0.61 0.00 0.00 -0.72 0.36 119.26 120.48 1ufb h ALA 34 Ca -0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1ufb h ALA 34 Cb 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1ufb h ALA 34 CO 0.02 0.58 0.17 0.37 0.00 0.00 0.00 179.25 180.40 1ufb h GLN 35 N 0.51 0.93 -0.27 0.00 -0.00 -0.60 -1.96 115.11 113.72 1ufb h GLN 35 Ca -0.00 -0.19 -0.10 0.00 -0.00 0.00 0.00 58.65 58.36 1ufb h GLN 35 Cb 1.15 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 28.47 1ufb h GLN 35 CO 0.12 0.81 -0.24 1.96 0.00 0.00 0.00 178.83 181.48 1ufb h GLN 36 N 0.90 0.52 -0.03 1.69 1.08 -0.91 0.65 115.11 119.01 1ufb h GLN 36 Ca 0.20 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ufb h GLN 36 Cb 0.28 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1ufb h GLN 36 CO -0.01 0.73 0.01 0.00 -0.95 0.00 0.00 178.83 178.61 1ufb h ALA 37 N 1.28 0.04 -0.56 3.87 0.00 -0.49 -1.44 119.26 121.96 1ufb h ALA 37 Ca 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ufb h ALA 37 Cb 0.67 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1ufb h ALA 37 CO 0.05 -0.38 0.37 0.00 0.00 0.00 0.00 179.25 179.28 1ufb h ALA 38 N 0.86 0.71 -0.43 0.00 0.00 -1.16 -1.43 119.26 117.80 1ufb h ALA 38 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ufb h ALA 38 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ufb h ALA 38 CO -0.00 0.13 0.21 1.49 0.00 0.00 0.00 179.25 181.09 1ufb h GLU 39 N 0.74 0.62 -0.56 0.00 4.81 -0.73 -1.54 114.58 117.92 1ufb h GLU 39 Ca 0.21 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1ufb h GLU 39 Cb -0.07 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1ufb h GLU 39 CO -0.05 0.52 0.10 0.00 -0.73 0.00 0.00 179.01 178.85 1ufb h ALA 40 N 1.06 0.75 -0.19 2.92 0.00 -1.20 0.19 119.26 122.79 1ufb h ALA 40 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ufb h ALA 40 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ufb h ALA 40 CO -0.02 0.48 0.06 0.00 0.00 0.00 0.00 179.25 179.78 1ufb h ALA 41 N 1.00 0.25 -0.18 0.00 0.00 -1.12 -0.86 119.26 118.36 1ufb h ALA 41 Ca 0.17 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1ufb h ALA 41 Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ufb h ALA 41 CO 0.01 -0.13 -0.32 -0.07 0.00 0.00 0.00 179.25 178.74 1ufb h LEU 42 N 0.14 0.37 -1.34 0.00 3.38 -1.10 -0.98 115.31 115.78 1ufb h LEU 42 Ca 0.06 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1ufb h LEU 42 Cb 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ufb h LEU 42 CO -0.00 0.67 -0.19 0.11 0.09 0.00 0.00 178.44 179.12 1ufb h LYS 43 N 0.32 0.21 -0.39 1.13 1.57 -0.73 -0.69 116.57 117.98 1ufb h LYS 43 Ca 0.04 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1ufb h LYS 43 Cb 0.72 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1ufb h LYS 43 CO 0.05 0.40 -0.09 0.78 -0.57 0.00 0.00 179.45 180.02 1ufb h GLY 44 N 0.82 0.82 0.98 3.86 0.00 -0.12 -0.86 103.07 108.56 1ufb h GLY 44 Ca 0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1ufb h GLY 44 CO 0.03 0.62 0.27 -2.00 0.00 0.00 0.00 176.54 175.46 1ufb h LEU 45 N 0.57 0.69 -0.40 3.11 5.85 -0.71 0.14 115.31 124.56 1ufb h LEU 45 Ca 0.10 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1ufb h LEU 45 Cb 0.61 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1ufb h LEU 45 CO 0.04 0.61 0.20 0.45 -0.34 0.00 0.00 178.44 179.39 1ufb h HIS 46 N 0.72 0.37 -0.51 1.25 3.86 -0.92 -1.70 115.15 118.21 1ufb h HIS 46 Ca 0.19 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1ufb h HIS 46 Cb 0.09 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1ufb h HIS 46 CO -0.01 0.19 0.20 -0.07 0.86 0.00 0.00 177.93 179.11 1ufb h LEU 47 N 0.40 0.66 -1.63 2.43 3.38 -0.44 0.60 115.31 120.71 1ufb h LEU 47 Ca 0.17 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1ufb h LEU 47 Cb 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1ufb h LEU 47 CO -0.12 0.60 -0.19 0.00 0.09 0.00 0.00 178.44 178.82 1ufb h ALA 48 N 1.50 1.65 -0.51 1.53 0.00 0.10 -1.82 119.26 121.71 1ufb h ALA 48 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ufb h ALA 48 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ufb h ALA 48 CO -0.02 0.24 0.00 0.54 0.00 0.00 0.00 179.25 180.01 1ufb n ARG 49 N -4.26 3.17 -1.33 0.00 5.12 -0.60 -4.94 116.66 113.82 1ufb n ARG 49 Ca -0.02 -2.24 -0.05 0.00 -1.93 0.00 0.00 57.85 53.61 1ufb n ARG 49 Cb 0.26 -1.77 -0.02 0.00 -1.16 0.00 0.00 32.46 29.77 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 0.94 0.66 3.55 -0.13 0.00 -0.69 -5.03 105.19 104.50 1ufb n GLY 50 Ca 0.20 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.79 1.98 0.10 1.61 -0.21 0.10 -5.00 119.66 115.46 1ufb s GLN 51 Ca 0.00 -1.46 0.06 0.00 0.02 0.00 0.00 55.36 53.99 1ufb s GLN 51 Cb 0.00 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 1ufb s GLN 51 CO 0.00 0.39 -0.06 0.14 -2.12 0.00 0.00 175.29 173.63 1ufb s VAL 52 N -2.07 3.62 0.09 1.09 -7.23 -1.26 -3.10 120.40 111.53 1ufb s VAL 52 Ca 0.27 -1.17 0.01 0.00 -1.81 0.00 0.00 61.98 59.29 1ufb s VAL 52 Cb -0.07 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1ufb s VAL 52 CO 0.16 0.11 -0.06 0.00 -0.31 0.00 0.00 175.10 175.00 1ufb s ALA 53 N -1.26 0.87 0.20 1.32 0.00 -1.26 -5.01 121.76 116.61 1ufb s ALA 53 Ca 0.23 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1ufb s ALA 53 Cb -0.11 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1ufb s ALA 53 CO 0.16 -0.23 0.01 -1.58 0.00 0.00 0.00 175.76 174.11 1ufb s TRP 54 N -3.43 1.33 0.00 0.00 0.52 -1.26 -5.03 118.94 111.06 1ufb s TRP 54 Ca 0.09 -1.01 0.00 0.00 0.02 0.00 0.00 56.10 55.20 1ufb s TRP 54 Cb 0.04 -0.76 0.00 0.00 -1.15 0.00 0.00 33.47 31.60 1ufb s TRP 54 CO -0.05 -0.19 0.00 0.41 0.02 0.00 0.00 176.95 177.15 1ufb n GLY 55 N -0.31 -3.69 0.00 0.98 0.00 -1.26 -4.73 105.19 96.18 1ufb n GLY 55 Ca -0.05 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.23 0.00 -3.10 1.61 8.25 -1.26 -4.98 115.22 115.50 1ufb n HIS 56 Ca 0.00 -0.30 -0.41 0.00 -0.26 0.00 0.00 57.72 56.75 1ufb n HIS 56 Cb 0.00 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 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 -0.60 6.49 0.42 0.41 0.15 -1.26 -4.88 113.70 114.43 1ufb s SER 57 Ca 0.00 0.38 0.15 0.00 0.70 0.00 0.00 55.95 57.18 1ufb s SER 57 Cb 0.00 -2.34 0.91 0.00 -1.71 0.00 0.00 66.02 62.88 1ufb s SER 57 CO 0.00 -0.52 1.91 0.40 1.20 0.00 0.00 173.24 176.23 1ufb h ILE 58 N 5.58 1.11 0.05 6.45 1.08 -1.94 -0.84 117.51 129.01 1ufb h ILE 58 Ca -0.26 -0.97 -0.00 0.00 -0.39 0.00 0.00 64.86 63.23 1ufb h ILE 58 Cb 1.11 1.54 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 1ufb h ILE 58 CO 0.82 0.27 -0.02 0.25 -0.69 0.00 0.00 178.15 178.78 1ufb h LEU 59 N 0.00 -0.05 -0.72 1.44 5.85 -1.90 -1.18 115.31 118.74 1ufb h LEU 59 Ca -0.00 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 1ufb h LEU 59 Cb 0.52 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1ufb h LEU 59 CO 0.04 0.15 0.31 0.44 -0.34 0.00 0.00 178.44 179.03 1ufb h ASP 60 N -0.26 0.98 -0.71 1.25 3.32 -1.94 -0.44 116.42 118.63 1ufb h ASP 60 Ca -0.01 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 56.90 1ufb h ASP 60 Cb 0.23 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1ufb h ASP 60 CO 0.01 0.88 0.47 -0.07 -1.72 0.00 0.00 179.24 178.81 1ufb h LEU 61 N 1.03 0.79 -0.01 1.55 3.38 -0.97 -0.54 115.31 120.55 1ufb h LEU 61 Ca 0.24 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.95 1ufb h LEU 61 Cb 0.19 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.76 1ufb h LEU 61 CO -0.02 0.56 -0.95 -0.07 0.09 0.00 0.00 178.44 178.05 1ufb h LEU 62 N 0.93 0.86 -1.79 1.67 3.38 -1.01 -3.30 115.31 116.04 1ufb h LEU 62 Ca 0.27 -0.73 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1ufb h LEU 62 Cb -0.05 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 1ufb h LEU 62 CO -0.06 1.48 -0.15 0.00 0.09 0.00 0.00 178.44 179.80 1ufb h ALA 63 N 0.40 1.58 -0.01 1.53 0.00 -0.62 -2.75 119.26 119.39 1ufb h ALA 63 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ufb h ALA 63 Cb 1.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1ufb h ALA 63 CO 0.19 0.18 -0.08 -0.25 0.00 0.00 0.00 179.25 179.29 1ufb n ASP 64 N -4.11 1.36 -4.74 0.00 8.00 -0.25 -4.92 116.55 111.90 1ufb n ASP 64 Ca -0.02 -1.31 -0.34 0.00 0.71 0.00 0.00 54.79 53.83 1ufb n ASP 64 Cb 0.23 0.04 0.07 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.16 3.34 0.55 0.64 1.43 -1.04 -4.94 118.68 116.51 1ufb s LEU 65 Ca 0.34 2.21 -0.20 0.00 -1.03 0.00 0.00 54.13 55.45 1ufb s LEU 65 Cb 0.20 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.78 1ufb s LEU 65 CO 0.39 -2.01 0.83 -2.65 0.23 0.00 0.00 176.35 173.14 1ufb n PRO 66 N -2.60 0.86 0.27 1.29 -0.02 -1.26 -4.86 135.00 128.67 1ufb n PRO 66 Ca 0.12 0.33 0.10 0.00 -2.02 0.00 0.00 63.50 62.03 1ufb n PRO 66 Cb 0.51 -1.99 0.71 0.00 -0.02 0.00 0.00 33.50 32.71 1ufb n PRO 66 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1ufb h GLU 67 N 0.62 0.00 0.00 -0.52 4.11 -1.96 -0.29 114.58 116.54 1ufb h GLU 67 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1ufb h GLU 67 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1ufb h GLU 67 CO 0.51 0.04 0.00 -0.40 0.07 0.00 0.00 179.01 179.23 1ufb n ASP 68 N -4.22 0.00 -4.62 3.06 5.75 -1.26 -4.53 116.55 110.73 1ufb n ASP 68 Ca -0.03 0.12 -0.39 0.00 -0.01 0.00 0.00 54.79 54.48 1ufb n ASP 68 Cb 0.13 -0.29 -0.08 0.00 -1.03 0.00 0.00 41.12 39.85 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 -2.57 5.13 -0.30 2.12 1.01 -0.12 -5.02 120.40 120.65 1ufb s VAL 69 Ca 0.11 0.73 -0.27 0.00 0.00 0.00 0.00 61.98 62.54 1ufb s VAL 69 Cb 0.08 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1ufb s VAL 69 CO 0.18 0.14 0.98 -0.62 0.00 0.00 0.00 175.10 175.79 1ufb s ASP 70 N 1.50 6.88 -0.38 3.32 -1.08 -1.26 -4.93 116.67 120.72 1ufb s ASP 70 Ca 0.18 0.99 -0.09 0.00 -0.52 0.00 0.00 52.55 53.11 1ufb s ASP 70 Cb -0.16 -2.50 0.05 0.00 -1.46 0.00 0.00 42.92 38.85 1ufb s ASP 70 CO 0.09 -0.77 0.19 -0.69 0.52 0.00 0.00 175.17 174.51 1ufb s VAL 71 N 3.38 4.23 0.48 1.11 1.01 -1.26 -5.08 120.40 124.27 1ufb s VAL 71 Ca 0.41 -1.09 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 1ufb s VAL 71 Cb -0.13 -3.43 -0.08 0.00 0.00 0.00 0.00 36.38 32.74 1ufb s VAL 71 CO 0.13 -0.29 1.31 -2.65 0.00 0.00 0.00 175.10 173.60 1ufb n PRO 72 N 4.92 1.85 0.28 2.72 -0.02 -1.26 -4.88 135.00 138.60 1ufb n PRO 72 Ca -0.11 0.67 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 1ufb n PRO 72 Cb 0.45 -2.48 0.82 0.00 -0.02 0.00 0.00 33.50 32.27 1ufb n PRO 72 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ufb h GLU 73 N 1.80 0.00 0.00 -0.52 4.57 -2.00 -0.43 114.58 117.99 1ufb h GLU 73 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1ufb h GLU 73 Cb 1.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1ufb h GLU 73 CO 0.59 0.00 0.00 0.38 -1.18 0.00 0.00 179.01 178.80 1ufb h ASP 74 N 0.00 0.00 0.41 1.04 2.03 -1.99 -1.44 116.42 116.46 1ufb h ASP 74 Ca 0.01 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.06 1ufb h ASP 74 Cb 0.03 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.54 1ufb h ASP 74 CO -0.00 0.00 -1.08 -0.07 -1.03 0.00 0.00 179.24 177.06 1ufb h LEU 75 N 0.00 0.54 -0.77 0.15 3.38 -1.43 -0.41 115.31 116.77 1ufb h LEU 75 Ca 0.00 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1ufb h LEU 75 Cb 0.64 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1ufb h LEU 75 CO 0.00 1.31 0.44 0.58 0.09 0.00 0.00 178.44 180.87 1ufb h VAL 76 N 0.18 1.23 -0.58 1.22 2.07 -1.35 0.41 116.25 119.44 1ufb h VAL 76 Ca -0.11 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 1ufb h VAL 76 Cb 1.75 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1ufb h VAL 76 CO 0.19 0.24 -0.00 -0.33 0.02 0.00 0.00 177.57 177.69 1ufb h GLU 77 N 1.06 1.03 -0.41 1.57 5.08 -1.22 -2.35 114.58 119.34 1ufb h GLU 77 Ca 0.27 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1ufb h GLU 77 Cb 0.00 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1ufb h GLU 77 CO -0.05 1.02 0.05 0.00 -1.00 0.00 0.00 179.01 179.03 1ufb h ALA 78 N 0.97 1.32 -0.77 3.43 0.00 -0.68 -2.81 119.26 120.73 1ufb h ALA 78 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ufb h ALA 78 Cb 0.56 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1ufb h ALA 78 CO 0.03 0.47 0.48 0.00 0.00 0.00 0.00 179.25 180.24 1ufb h ALA 79 N 1.45 0.98 -0.93 0.00 0.00 -0.54 -1.16 119.26 119.06 1ufb h ALA 79 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ufb h ALA 79 Cb 0.31 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1ufb h ALA 79 CO 0.01 0.43 0.54 0.87 0.00 0.00 0.00 179.25 181.09 1ufb h LYS 80 N 1.05 1.27 0.14 0.00 1.57 -1.17 0.35 116.57 119.77 1ufb h LYS 80 Ca 0.28 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1ufb h LYS 80 Cb -0.07 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 31.98 1ufb h LYS 80 CO -0.06 0.90 -0.07 0.28 -0.57 0.00 0.00 179.45 179.94 1ufb h VAL 81 N 1.29 1.03 -0.12 0.50 2.07 -1.38 -3.20 116.25 116.44 1ufb h VAL 81 Ca 0.33 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1ufb h VAL 81 Cb -0.03 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1ufb h VAL 81 CO -0.06 0.21 0.03 -0.07 0.02 0.00 0.00 177.57 177.70 1ufb h LEU 82 N -0.63 0.14 -2.14 2.57 3.38 -1.04 -1.85 115.31 115.75 1ufb h LEU 82 Ca -0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1ufb h LEU 82 Cb 0.48 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ufb h LEU 82 CO 0.03 0.15 -0.06 0.44 0.09 0.00 0.00 178.44 179.09 1ufb h ASP 83 N 0.16 0.00 -0.00 -0.43 3.32 -0.92 0.46 116.42 119.01 1ufb h ASP 83 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1ufb h ASP 83 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1ufb h ASP 83 CO -0.00 0.06 0.00 0.29 -1.72 0.00 0.00 179.24 177.86 1ufb n LYS 84 N -3.39 1.01 -0.04 3.56 5.02 -0.70 -3.42 118.16 120.21 1ufb n LYS 84 Ca -0.02 -0.02 0.08 0.00 -2.02 0.00 0.00 58.31 56.34 1ufb n LYS 84 Cb 0.20 -1.32 0.09 0.00 -0.02 0.00 0.00 35.03 33.98 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 -0.80 0.09 -0.03 2.13 0.53 0.15 -4.19 117.16 115.04 1ufb n TYR 85 Ca 0.15 -0.07 -0.14 0.00 -1.02 0.00 0.00 57.90 56.82 1ufb n TYR 85 Cb 0.07 -0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 38.27 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 3.08 0.10 0.00 -0.72 3.20 -1.66 -3.37 116.97 117.60 1ufb h TYR 86 Ca 0.00 -0.05 -0.38 0.00 3.14 0.00 0.00 58.73 61.44 1ufb h TYR 86 Cb 0.68 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.88 1ufb h TYR 86 CO 0.05 0.76 -2.30 -0.89 -1.64 0.00 0.00 178.16 174.13 1ufb n ILE 87 N -4.68 1.28 0.19 1.81 5.41 -1.26 -4.62 119.36 117.50 1ufb n ILE 87 Ca -0.09 -0.36 0.18 0.00 1.00 0.00 0.00 62.75 63.48 1ufb n ILE 87 Cb 0.38 -1.69 0.82 0.00 -0.71 0.00 0.00 39.64 38.44 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 -0.65 0.00 0.00 0.38 0.11 -1.82 -1.36 132.00 128.66 1ufb h PRO 88 Ca -0.57 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 1ufb h PRO 88 Cb 1.58 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.69 1ufb h PRO 88 CO -0.30 0.00 -0.00 1.79 -0.21 0.00 0.00 178.00 179.28 1ufb h THR 89 N 0.00 0.01 0.00 -1.15 1.35 -1.80 -3.34 112.91 107.98 1ufb h THR 89 Ca 0.11 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1ufb h THR 89 Cb 0.67 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1ufb h THR 89 CO -0.00 0.00 -1.16 0.54 -0.25 0.00 0.00 175.52 174.66 1ufb n ARG 90 N -3.10 0.43 -4.00 4.72 1.74 -0.59 -4.32 116.66 111.55 1ufb n ARG 90 Ca 0.02 -0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.72 1ufb n ARG 90 Cb 0.40 -1.09 -0.15 0.00 -1.02 0.00 0.00 32.46 30.61 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 -2.27 2.90 0.55 -1.55 1.51 -0.75 -4.73 117.35 113.00 1ufb s TYR 91 Ca -0.01 -1.16 0.23 0.00 -1.01 0.00 0.00 57.07 55.12 1ufb s TYR 91 Cb 0.03 -2.04 1.47 0.00 -0.11 0.00 0.00 41.96 41.31 1ufb s TYR 91 CO 0.19 -0.62 2.10 -1.35 -1.11 0.00 0.00 175.55 174.76 1ufb h PRO 92 N 8.02 0.00 0.00 -1.71 0.11 -1.88 -1.87 132.00 134.68 1ufb h PRO 92 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ufb h PRO 92 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ufb h PRO 92 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 1ufb n ASP 93 N -4.22 0.00 -0.33 -2.05 5.75 -1.26 -1.16 116.55 113.28 1ufb n ASP 93 Ca 0.02 -0.88 0.14 0.00 -0.01 0.00 0.00 54.79 54.07 1ufb n ASP 93 Cb 0.30 0.00 0.63 0.00 -1.03 0.00 0.00 41.12 41.01 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 -0.96 2.64 -2.31 2.12 0.00 -0.70 -4.90 120.51 116.40 1ufb n ALA 94 Ca 0.18 -0.37 -0.16 0.00 0.00 0.00 0.00 53.44 53.09 1ufb n ALA 94 Cb 0.08 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.06 1.49 0.21 0.00 3.76 -0.31 -5.00 115.29 113.38 1ufb s HIS 95 Ca 0.39 -0.81 0.13 0.00 -0.15 0.00 0.00 55.06 54.62 1ufb s HIS 95 Cb 0.21 -0.81 0.38 0.00 1.11 0.00 0.00 32.58 33.47 1ufb s HIS 95 CO 0.36 0.07 1.61 -1.00 -0.85 0.00 0.00 174.74 174.93 1ufb h PRO 96 N 2.58 0.00 -3.19 8.40 0.13 -1.90 -3.47 132.00 134.54 1ufb h PRO 96 Ca -0.38 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 1ufb h PRO 96 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 1ufb h PRO 96 CO 0.64 0.58 0.09 0.00 -0.23 0.00 0.00 178.00 179.08 1ufb s ALA 97 N -3.49 -1.19 0.07 -0.56 0.00 -1.26 -5.12 121.76 110.21 1ufb s ALA 97 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1ufb s ALA 97 Cb 0.12 0.83 0.00 0.00 0.00 0.00 0.00 23.12 24.07 1ufb s ALA 97 CO 0.75 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1ufb n GLY 98 N -0.34 -1.65 3.78 0.00 0.00 -1.26 -4.88 105.19 100.85 1ufb n GLY 98 Ca -0.13 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.61 1.28 0.24 1.61 0.04 -1.26 -4.78 135.00 130.51 1ufb s PRO 99 Ca 0.00 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.42 1ufb s PRO 99 Cb 0.00 -1.85 0.26 0.00 0.04 0.00 0.00 34.50 32.95 1ufb s PRO 99 CO 0.00 -2.12 1.60 0.00 0.04 0.00 0.00 177.00 176.52 1ufb h ALA 100 N -1.44 0.89 -0.51 8.56 0.00 -1.85 -3.28 119.26 121.63 1ufb h ALA 100 Ca -0.50 -0.45 0.09 0.00 0.00 0.00 0.00 54.91 54.04 1ufb h ALA 100 Cb 1.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1ufb h ALA 100 CO 0.61 0.65 0.34 0.00 0.00 0.00 0.00 179.25 180.85 1ufb h ALA 101 N 1.15 2.07 0.00 0.00 0.00 -1.88 -2.01 119.26 118.59 1ufb h ALA 101 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ufb h ALA 101 Cb 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ufb h ALA 101 CO 0.08 -0.18 0.00 2.89 0.00 0.00 0.00 179.25 182.04 1ufb n ARG 102 N -4.46 0.47 -0.39 0.00 1.85 -1.24 -3.40 116.66 109.49 1ufb n ARG 102 Ca 0.08 0.04 0.06 0.00 -1.00 0.00 0.00 57.85 57.03 1ufb n ARG 102 Cb 0.35 -1.50 0.23 0.00 -1.05 0.00 0.00 32.46 30.50 1ufb n ARG 102 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ufb n HIS 103 N -1.21 0.95 -4.86 2.89 8.25 -0.75 -4.87 115.22 115.62 1ufb n HIS 103 Ca 0.14 -0.38 -0.27 0.00 -0.26 0.00 0.00 57.72 56.94 1ufb n HIS 103 Cb 0.17 -0.16 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 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 -1.70 1.87 0.38 4.41 1.51 -1.22 -5.06 117.35 117.53 1ufb s TYR 104 Ca 0.33 -0.66 0.07 0.00 -1.01 0.00 0.00 57.07 55.81 1ufb s TYR 104 Cb 0.21 -1.28 -0.01 0.00 -0.11 0.00 0.00 41.96 40.77 1ufb s TYR 104 CO 0.17 -0.27 0.44 0.95 -1.11 0.00 0.00 175.55 175.72 1ufb s THR 105 N 0.33 3.35 0.23 -0.71 -4.23 -1.26 -4.58 115.64 108.77 1ufb s THR 105 Ca -0.11 -1.15 -0.08 0.00 -1.18 0.00 0.00 61.69 59.16 1ufb s THR 105 Cb -0.15 -3.16 0.20 0.00 1.34 0.00 0.00 72.50 70.74 1ufb s THR 105 CO 0.05 -0.08 1.89 -0.09 -0.54 0.00 0.00 174.62 175.84 1ufb h ARG 106 N 0.93 1.18 -0.49 3.99 2.43 -1.97 -1.30 114.38 119.15 1ufb h ARG 106 Ca -0.43 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 1ufb h ARG 106 Cb 1.26 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 1ufb h ARG 106 CO 0.53 0.81 0.28 1.25 -1.51 0.00 0.00 179.97 181.32 1ufb h LEU 107 N 1.20 0.61 -0.57 3.80 5.85 -1.99 0.13 115.31 124.33 1ufb h LEU 107 Ca 0.32 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.98 1ufb h LEU 107 Cb -0.09 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1ufb h LEU 107 CO -0.06 0.51 0.36 -0.33 -0.34 0.00 0.00 178.44 178.58 1ufb h GLU 108 N 0.66 0.69 -0.46 1.25 5.08 -1.81 0.45 114.58 120.44 1ufb h GLU 108 Ca 0.17 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1ufb h GLU 108 Cb 0.03 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1ufb h GLU 108 CO -0.03 0.46 0.26 0.00 -1.00 0.00 0.00 179.01 178.69 1ufb h ALA 109 N 1.24 0.58 -0.42 3.43 0.00 -0.85 0.14 119.26 123.39 1ufb h ALA 109 Ca 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ufb h ALA 109 Cb -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1ufb h ALA 109 CO -0.09 0.10 0.22 0.93 0.00 0.00 0.00 179.25 180.41 1ufb h GLU 110 N 0.60 0.59 -0.49 0.00 5.08 -0.31 -1.77 114.58 118.28 1ufb h GLU 110 Ca 0.16 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1ufb h GLU 110 Cb 0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1ufb h GLU 110 CO -0.03 0.48 -0.04 0.93 -1.00 0.00 0.00 179.01 179.35 1ufb h GLU 111 N 0.54 0.85 -0.74 2.33 5.08 -0.65 -2.08 114.58 119.93 1ufb h GLU 111 Ca 0.15 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1ufb h GLU 111 Cb 0.07 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1ufb h GLU 111 CO -0.02 0.88 0.31 0.00 -1.00 0.00 0.00 179.01 179.17 1ufb h ALA 112 N 1.17 1.15 -0.42 3.43 0.00 -0.49 -0.68 119.26 123.42 1ufb h ALA 112 Ca 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ufb h ALA 112 Cb 0.53 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ufb h ALA 112 CO 0.03 0.62 0.10 -0.07 0.00 0.00 0.00 179.25 179.92 1ufb h LEU 113 N 1.06 0.65 -0.66 0.00 3.38 -1.05 -0.45 115.31 118.24 1ufb h LEU 113 Ca 0.25 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ufb h LEU 113 Cb 0.18 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1ufb h LEU 113 CO -0.02 0.72 0.42 0.44 0.09 0.00 0.00 178.44 180.08 1ufb h ASP 114 N 0.55 0.78 -0.29 -0.43 3.32 -0.84 -1.06 116.42 118.44 1ufb h ASP 114 Ca 0.13 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1ufb h ASP 114 Cb 0.33 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1ufb h ASP 114 CO 0.00 0.59 0.11 -0.07 -1.72 0.00 0.00 179.24 178.15 1ufb h LEU 115 N 0.90 0.41 -0.85 1.55 3.38 -0.88 -0.60 115.31 119.21 1ufb h LEU 115 Ca 0.24 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1ufb h LEU 115 Cb -0.06 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 1ufb h LEU 115 CO -0.05 0.48 0.53 0.00 0.09 0.00 0.00 178.44 179.49 1ufb h ALA 116 N 0.94 1.16 -0.70 1.53 0.00 -0.87 -1.63 119.26 119.69 1ufb h ALA 116 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1ufb h ALA 116 Cb 0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1ufb h ALA 116 CO -0.01 0.28 0.17 1.96 0.00 0.00 0.00 179.25 181.66 1ufb h GLN 117 N 0.97 1.12 -0.47 0.00 4.20 -0.85 -0.11 115.11 119.97 1ufb h GLN 117 Ca 0.37 -0.27 0.06 0.00 0.06 0.00 0.00 58.65 58.86 1ufb h GLN 117 Cb 0.15 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 1ufb h GLN 117 CO -0.17 0.99 0.19 -0.22 -0.67 0.00 0.00 178.83 178.95 1ufb h LYS 118 N 1.06 0.36 -0.34 1.46 3.64 -0.54 -0.69 116.57 121.52 1ufb h LYS 118 Ca 0.22 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 1ufb h LYS 118 Cb 0.37 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1ufb h LYS 118 CO 0.00 0.24 -0.21 0.82 -2.27 0.00 0.00 179.45 178.03 1ufb h ILE 119 N 0.37 1.29 -0.69 2.00 1.08 -0.94 -2.01 117.51 118.60 1ufb h ILE 119 Ca 0.22 -1.35 -0.03 0.00 -0.39 0.00 0.00 64.86 63.30 1ufb h ILE 119 Cb 0.20 1.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 1ufb h ILE 119 CO -0.20 0.44 0.30 -0.07 -0.69 0.00 0.00 178.15 177.93 1ufb h LEU 120 N 0.52 0.92 -0.41 1.44 4.07 -0.80 -0.21 115.31 120.84 1ufb h LEU 120 Ca 0.07 -0.12 -0.06 0.00 0.08 0.00 0.00 57.88 57.85 1ufb h LEU 120 Cb 0.77 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1ufb h LEU 120 CO 0.06 0.80 0.01 0.00 -1.08 0.00 0.00 178.44 178.22 1ufb h ALA 121 N 1.34 0.55 -0.24 1.53 0.00 -1.00 -0.54 119.26 120.89 1ufb h ALA 121 Ca 0.24 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ufb h ALA 121 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ufb h ALA 121 CO -0.03 0.33 0.12 0.35 0.00 0.00 0.00 179.25 180.02 1ufb h PHE 122 N 0.55 0.22 -0.36 0.00 3.57 -0.82 -1.01 116.94 119.09 1ufb h PHE 122 Ca 0.12 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1ufb h PHE 122 Cb 0.47 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1ufb h PHE 122 CO 0.04 0.12 0.22 0.28 -2.23 0.00 0.00 178.31 176.73 1ufb h VAL 123 N 0.25 1.04 -0.85 1.41 2.07 -0.80 -0.09 116.25 119.29 1ufb h VAL 123 Ca 0.10 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1ufb h VAL 123 Cb 0.03 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1ufb h VAL 123 CO -0.07 0.08 0.56 -0.33 0.02 0.00 0.00 177.57 177.83 1ufb h GLU 124 N 0.44 1.11 -0.13 1.57 5.08 -0.91 0.57 114.58 122.30 1ufb h GLU 124 Ca 0.14 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1ufb h GLU 124 Cb -0.00 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 1ufb h GLU 124 CO -0.06 0.73 0.01 1.49 -1.00 0.00 0.00 179.01 180.18 1ufb h GLU 125 N 1.14 0.22 0.00 2.33 4.81 -0.56 -2.80 114.58 119.72 1ufb h GLU 125 Ca 0.32 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1ufb h GLU 125 Cb -0.10 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1ufb h GLU 125 CO -0.07 0.44 0.00 1.63 -0.73 0.00 0.00 179.01 180.28 1ufb n LYS 126 N -4.80 0.39 0.00 1.92 4.76 -0.10 -5.11 118.16 115.22 1ufb n LYS 126 Ca -0.06 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1ufb n LYS 126 Cb 0.19 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1ufb n LYS 126 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31