#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 -5.57 -0.12 3.17 3.02 -1.26 -1.43 115.26 113.07 1ufb n ASN 2 Ca 0.00 0.44 -0.02 0.00 -0.03 0.00 0.00 54.58 54.98 1ufb n ASN 2 Cb 0.00 -4.87 -0.01 0.00 -0.61 0.00 0.00 39.78 34.30 1ufb n ASN 2 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ufb n ARG 3 N -2.48 -0.84 -0.33 3.52 1.74 -1.26 -4.84 116.66 112.18 1ufb n ARG 3 Ca -0.21 0.32 0.15 0.00 -0.77 0.00 0.00 57.85 57.34 1ufb n ARG 3 Cb 0.69 -4.02 0.35 0.00 -1.02 0.00 0.00 32.46 28.46 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 1.62 -0.09 7.54 0.00 -1.50 0.26 119.26 127.09 1ufb h ALA 4 Ca -0.03 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1ufb h ALA 4 Cb 0.47 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ufb h ALA 4 CO 0.05 -0.31 -0.36 0.00 0.00 0.00 0.00 179.25 178.63 1ufb h ARG 5 N 0.49 0.18 -0.52 0.00 2.47 -1.90 -0.56 114.38 114.55 1ufb h ARG 5 Ca 0.60 -0.07 -0.07 0.00 -1.26 0.00 0.00 59.98 59.18 1ufb h ARG 5 Cb 1.15 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.44 1ufb h ARG 5 CO -0.50 0.52 0.04 -0.44 0.56 0.00 0.00 179.97 180.15 1ufb h ASP 6 N 0.16 0.86 -0.41 7.04 3.32 -0.90 -1.14 116.42 125.35 1ufb h ASP 6 Ca 0.02 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 1ufb h ASP 6 Cb 0.71 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1ufb h ASP 6 CO 0.05 0.93 -0.01 -0.50 -1.72 0.00 0.00 179.24 177.99 1ufb h TRP 7 N 0.77 0.87 -0.46 4.55 4.06 -0.97 0.60 115.95 125.36 1ufb h TRP 7 Ca 0.15 -0.13 -0.10 0.00 2.06 0.00 0.00 58.89 60.88 1ufb h TRP 7 Cb 0.47 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 1ufb h TRP 7 CO 0.03 0.81 -0.08 -0.07 -3.56 0.00 0.00 178.44 175.57 1ufb h LEU 8 N 0.76 0.88 -0.89 -4.49 -0.00 -0.90 0.14 115.31 110.79 1ufb h LEU 8 Ca 0.14 -0.35 -0.09 0.00 -0.00 0.00 0.00 57.88 57.59 1ufb h LEU 8 Cb 0.48 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 1ufb h LEU 8 CO 0.02 1.02 -0.14 -0.08 -0.00 0.00 0.00 178.44 179.27 1ufb h GLU 9 N 0.72 0.66 -0.50 1.13 4.57 -0.95 -0.53 114.58 119.69 1ufb h GLU 9 Ca 0.12 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 1ufb h GLU 9 Cb 0.62 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1ufb h GLU 9 CO 0.04 0.78 0.21 0.37 -1.18 0.00 0.00 179.01 179.23 1ufb h GLN 10 N 0.60 0.75 -0.64 1.92 5.75 -0.60 -1.50 115.11 121.38 1ufb h GLN 10 Ca 0.10 -0.13 0.09 0.00 -0.15 0.00 0.00 58.65 58.56 1ufb h GLN 10 Cb 0.58 -0.12 -0.07 0.00 1.07 0.00 0.00 27.48 28.94 1ufb h GLN 10 CO 0.04 0.65 0.29 0.00 -2.65 0.00 0.00 178.83 177.16 1ufb h ALA 11 N 1.06 0.86 -0.59 3.38 0.00 0.06 0.25 119.26 124.29 1ufb h ALA 11 Ca 0.17 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1ufb h ALA 11 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ufb h ALA 11 CO -0.02 -0.10 0.08 0.00 0.00 0.00 0.00 179.25 179.20 1ufb h ARG 12 N 0.52 0.98 -0.66 0.00 3.08 -0.93 -0.67 114.38 116.70 1ufb h ARG 12 Ca 0.32 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1ufb h ARG 12 Cb 0.34 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1ufb h ARG 12 CO -0.27 0.94 0.31 1.25 -1.07 0.00 0.00 179.97 181.13 1ufb h HIS 13 N 0.88 0.97 -0.93 3.04 2.76 -0.42 -0.35 115.15 121.10 1ufb h HIS 13 Ca 0.18 -0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1ufb h HIS 13 Cb 0.45 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 29.06 1ufb h HIS 13 CO 0.03 0.73 0.61 -0.91 -1.30 0.00 0.00 177.93 177.09 1ufb h ASN 14 N 0.92 1.03 -0.18 3.26 2.35 -0.21 0.18 115.58 122.93 1ufb h ASN 14 Ca 0.23 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 1ufb h ASN 14 Cb 0.14 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1ufb h ASN 14 CO -0.03 0.73 -0.27 0.25 -1.65 0.00 0.00 177.43 176.46 1ufb h LEU 15 N 1.21 0.67 -0.83 1.61 5.85 -0.51 0.15 115.31 123.47 1ufb h LEU 15 Ca 0.36 -0.25 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 1ufb h LEU 15 Cb -0.07 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1ufb h LEU 15 CO -0.10 0.91 -0.41 0.03 -0.34 0.00 0.00 178.44 178.53 1ufb h ARG 16 N 0.57 0.37 -0.18 1.25 3.08 -0.43 -0.14 114.38 118.90 1ufb h ARG 16 Ca 0.07 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 1ufb h ARG 16 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1ufb h ARG 16 CO 0.06 0.72 -0.42 1.25 -1.07 0.00 0.00 179.97 180.51 1ufb h HIS 17 N 0.30 0.51 -0.04 3.04 2.76 0.08 -0.83 115.15 120.97 1ufb h HIS 17 Ca 0.03 -0.15 -0.00 0.00 -2.20 0.00 0.00 60.37 58.05 1ufb h HIS 17 Cb 0.86 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.71 1ufb h HIS 17 CO 0.02 0.78 0.02 0.00 -1.30 0.00 0.00 177.93 177.45 1ufb h ALA 18 N 1.20 0.05 -0.65 5.26 0.00 -0.31 0.42 119.26 125.24 1ufb h ALA 18 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ufb h ALA 18 Cb 0.88 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1ufb h ALA 18 CO 0.07 -0.40 0.43 1.96 0.00 0.00 0.00 179.25 181.31 1ufb h GLN 19 N -0.03 0.85 -0.68 0.00 4.20 -0.79 -1.39 115.11 117.27 1ufb h GLN 19 Ca 0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1ufb h GLN 19 Cb 0.09 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1ufb h GLN 19 CO -0.00 0.57 0.33 0.78 -0.67 0.00 0.00 178.83 179.83 1ufb h GLY 20 N 0.88 1.04 1.11 3.46 0.00 -0.90 -2.19 103.07 106.46 1ufb h GLY 20 Ca 0.24 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 1ufb h GLY 20 CO -0.05 0.47 0.28 1.76 0.00 0.00 0.00 176.54 179.00 1ufb h SER 21 N 0.96 1.04 -0.82 0.19 0.02 -0.49 0.22 113.55 114.66 1ufb h SER 21 Ca 0.24 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1ufb h SER 21 Cb 0.10 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1ufb h SER 21 CO -0.03 0.94 0.44 0.25 -1.14 0.00 0.00 176.83 177.28 1ufb h LEU 22 N 1.09 1.04 -1.27 5.07 5.85 -0.77 0.36 115.31 126.69 1ufb h LEU 22 Ca 0.25 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1ufb h LEU 22 Cb 0.24 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1ufb h LEU 22 CO -0.02 0.86 0.21 1.23 -0.34 0.00 0.00 178.44 180.38 1ufb h GLY 23 N 1.15 0.76 2.00 3.75 0.00 -0.48 -2.02 103.07 108.24 1ufb h GLY 23 Ca 0.29 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ufb h GLY 23 CO -0.04 0.35 0.00 1.04 0.00 0.00 0.00 176.54 177.89 1ufb n LEU 24 N -4.35 0.24 0.00 3.11 4.77 0.59 -4.86 117.00 116.50 1ufb n LEU 24 Ca 0.04 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1ufb n LEU 24 Cb 0.15 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1ufb n LEU 24 CO 0.38 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1ufb n GLY 25 N 0.70 0.56 3.23 -0.72 0.00 -0.76 -4.99 105.19 103.22 1ufb n GLY 25 Ca 0.05 -0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 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 0.37 5.55 -0.22 1.61 8.00 -0.01 -4.85 116.55 127.01 1ufb n ASP 26 Ca 0.00 -3.11 -0.08 0.00 0.71 0.00 0.00 54.79 52.30 1ufb n ASP 26 Cb 0.00 -1.43 0.03 0.00 -0.02 0.00 0.00 41.12 39.70 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 6.38 1.08 -0.44 1.24 0.99 -1.84 -1.02 116.97 123.36 1ufb h TYR 27 Ca 0.26 -0.15 -0.00 0.00 2.00 0.00 0.00 58.73 60.84 1ufb h TYR 27 Cb 0.78 -0.29 -0.02 0.00 1.00 0.00 0.00 36.73 38.19 1ufb h TYR 27 CO 0.99 0.92 0.27 0.00 -0.00 0.00 0.00 178.16 180.35 1ufb h ALA 28 N 1.02 0.56 -0.32 3.88 0.00 -1.80 -0.85 119.26 121.74 1ufb h ALA 28 Ca 0.18 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1ufb h ALA 28 Cb 0.43 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ufb h ALA 28 CO 0.01 0.04 -0.08 -1.49 0.00 0.00 0.00 179.25 177.73 1ufb h TRP 29 N 0.58 0.57 -0.58 0.00 4.06 -1.76 -1.00 115.95 117.83 1ufb h TRP 29 Ca 0.16 -0.08 -0.05 0.00 2.06 0.00 0.00 58.89 60.98 1ufb h TRP 29 Cb -0.02 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 27.96 1ufb h TRP 29 CO -0.04 0.61 0.16 0.00 -3.56 0.00 0.00 178.44 175.61 1ufb h ALA 30 N 1.42 0.77 -0.18 1.49 0.00 -0.79 0.22 119.26 122.19 1ufb h ALA 30 Ca 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ufb h ALA 30 Cb 0.45 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ufb h ALA 30 CO 0.02 0.45 0.06 0.00 0.00 0.00 0.00 179.25 179.79 1ufb h PHE 32 N 0.12 0.13 -0.10 0.00 3.57 -1.05 -1.51 116.94 118.10 1ufb h PHE 32 Ca 0.06 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1ufb h PHE 32 Cb 0.21 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1ufb h PHE 32 CO -0.00 0.03 -0.09 0.00 -2.23 0.00 0.00 178.31 176.02 1ufb h ALA 33 N 1.24 1.66 -0.41 2.41 0.00 -0.77 -1.24 119.26 122.15 1ufb h ALA 33 Ca 0.16 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1ufb h ALA 33 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ufb h ALA 33 CO -0.20 0.25 -0.07 0.00 0.00 0.00 0.00 179.25 179.24 1ufb h ALA 34 N 1.76 0.56 -0.84 0.00 0.00 -0.83 0.80 119.26 120.72 1ufb h ALA 34 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1ufb h ALA 34 Cb 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1ufb h ALA 34 CO 0.01 0.40 0.45 0.37 0.00 0.00 0.00 179.25 180.48 1ufb h GLN 35 N 0.59 1.18 -0.22 0.00 -0.00 -0.70 -1.92 115.11 114.04 1ufb h GLN 35 Ca 0.11 -0.14 -0.08 0.00 -0.00 0.00 0.00 58.65 58.53 1ufb h GLN 35 Cb 0.58 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 27.82 1ufb h GLN 35 CO 0.03 0.87 -0.23 1.96 0.00 0.00 0.00 178.83 181.46 1ufb h GLN 36 N 1.18 0.40 -0.14 1.69 1.08 -0.73 0.23 115.11 118.82 1ufb h GLN 36 Ca 0.29 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1ufb h GLN 36 Cb 0.05 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1ufb h GLN 36 CO -0.05 0.61 0.05 0.00 -0.95 0.00 0.00 178.83 178.50 1ufb h ALA 37 N 1.40 0.18 -0.60 3.87 0.00 -0.46 -1.45 119.26 122.21 1ufb h ALA 37 Ca 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ufb h ALA 37 Cb 0.61 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1ufb h ALA 37 CO 0.04 -0.21 0.26 0.00 0.00 0.00 0.00 179.25 179.34 1ufb h ALA 38 N 0.88 0.78 -0.38 0.00 0.00 -1.02 -0.51 119.26 119.00 1ufb h ALA 38 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ufb h ALA 38 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1ufb h ALA 38 CO -0.00 0.38 0.20 1.49 0.00 0.00 0.00 179.25 181.31 1ufb h GLU 39 N 0.83 0.55 -0.55 0.00 4.81 -0.48 -1.31 114.58 118.43 1ufb h GLU 39 Ca 0.20 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 1ufb h GLU 39 Cb 0.17 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1ufb h GLU 39 CO -0.02 0.47 -0.08 0.00 -0.73 0.00 0.00 179.01 178.65 1ufb h ALA 40 N 1.05 0.82 -0.15 2.92 0.00 -1.08 -0.19 119.26 122.63 1ufb h ALA 40 Ca 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ufb h ALA 40 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ufb h ALA 40 CO -0.02 0.66 0.07 0.00 0.00 0.00 0.00 179.25 179.97 1ufb h ALA 41 N 0.99 0.20 -0.17 0.00 0.00 -0.92 -0.17 119.26 119.19 1ufb h ALA 41 Ca 0.15 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ufb h ALA 41 Cb 0.64 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ufb h ALA 41 CO 0.04 -0.24 -0.30 -0.07 0.00 0.00 0.00 179.25 178.69 1ufb h LEU 42 N 0.11 0.34 -0.85 0.00 3.38 -1.07 -0.97 115.31 116.25 1ufb h LEU 42 Ca 0.05 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1ufb h LEU 42 Cb 0.13 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1ufb h LEU 42 CO -0.01 0.63 0.13 0.11 0.09 0.00 0.00 178.44 179.39 1ufb h LYS 43 N 0.30 0.98 -0.61 1.13 1.57 -0.62 -0.94 116.57 118.37 1ufb h LYS 43 Ca 0.04 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1ufb h LYS 43 Cb 0.68 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1ufb h LYS 43 CO 0.05 0.89 0.36 0.78 -0.57 0.00 0.00 179.45 180.96 1ufb h GLY 44 N 1.03 0.88 1.15 3.86 0.00 -0.17 -0.49 103.07 109.34 1ufb h GLY 44 Ca 0.19 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1ufb h GLY 44 CO 0.00 0.20 0.16 -2.00 0.00 0.00 0.00 176.54 174.91 1ufb h LEU 45 N 0.70 0.99 -0.43 3.11 5.85 -0.81 0.62 115.31 125.34 1ufb h LEU 45 Ca 0.26 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1ufb h LEU 45 Cb 0.08 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1ufb h LEU 45 CO -0.13 0.96 0.16 0.45 -0.34 0.00 0.00 178.44 179.54 1ufb h HIS 46 N 1.00 0.66 -0.04 1.25 3.86 -0.78 -2.19 115.15 118.92 1ufb h HIS 46 Ca 0.21 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1ufb h HIS 46 Cb 0.35 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1ufb h HIS 46 CO 0.03 0.58 -0.00 -0.07 0.86 0.00 0.00 177.93 179.32 1ufb h LEU 47 N 0.55 -0.02 -1.68 2.43 3.38 -0.43 0.95 115.31 120.49 1ufb h LEU 47 Ca 0.14 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.36 1ufb h LEU 47 Cb 0.21 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1ufb h LEU 47 CO -0.01 -0.00 0.63 0.00 0.09 0.00 0.00 178.44 179.15 1ufb h ALA 48 N 1.03 2.48 -0.35 1.53 0.00 -0.78 1.35 119.26 124.52 1ufb h ALA 48 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ufb h ALA 48 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ufb h ALA 48 CO -0.03 -0.77 0.00 0.54 0.00 0.00 0.00 179.25 178.99 1ufb n ARG 49 N -4.43 1.92 -2.12 0.00 5.12 -0.70 -4.94 116.66 111.52 1ufb n ARG 49 Ca 0.20 -1.42 -0.12 0.00 -1.93 0.00 0.00 57.85 54.58 1ufb n ARG 49 Cb 0.84 -1.34 -0.01 0.00 -1.16 0.00 0.00 32.46 30.79 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 1.16 0.05 3.35 -0.13 0.00 0.46 -5.04 105.19 105.04 1ufb n GLY 50 Ca 0.14 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.39 1.67 0.04 1.61 -0.21 0.25 -4.99 119.66 113.63 1ufb s GLN 51 Ca 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 55.36 54.22 1ufb s GLN 51 Cb 0.00 -1.93 -0.04 0.00 1.00 0.00 0.00 33.01 32.04 1ufb s GLN 51 CO 0.00 0.49 0.14 0.08 -2.12 0.00 0.00 175.29 173.88 1ufb s VAL 52 N -0.87 5.00 0.21 1.09 1.01 -1.26 -2.98 120.40 122.59 1ufb s VAL 52 Ca 0.12 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1ufb s VAL 52 Cb -0.10 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 1ufb s VAL 52 CO 0.03 0.23 -0.11 0.00 0.00 0.00 0.00 175.10 175.24 1ufb s ALA 53 N -1.36 1.96 0.26 5.51 0.00 -1.26 -5.03 121.76 121.84 1ufb s ALA 53 Ca 0.29 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.59 1ufb s ALA 53 Cb -0.12 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1ufb s ALA 53 CO 0.21 -0.00 0.07 -1.58 0.00 0.00 0.00 175.76 174.46 1ufb s TRP 54 N -3.07 1.60 0.00 0.00 0.52 -1.26 -5.03 118.94 111.70 1ufb s TRP 54 Ca 0.23 -1.10 0.00 0.00 0.02 0.00 0.00 56.10 55.25 1ufb s TRP 54 Cb 0.01 -0.96 0.00 0.00 -1.15 0.00 0.00 33.47 31.37 1ufb s TRP 54 CO 0.07 -0.24 0.00 0.41 0.02 0.00 0.00 176.95 177.21 1ufb n GLY 55 N -0.49 -3.07 0.00 0.98 0.00 -1.26 -4.70 105.19 96.65 1ufb n GLY 55 Ca -0.01 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.28 0.00 -2.82 1.61 8.25 -1.26 -4.98 115.22 115.74 1ufb n HIS 56 Ca 0.00 -0.27 -0.43 0.00 -0.26 0.00 0.00 57.72 56.76 1ufb n HIS 56 Cb 0.00 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.04 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 -0.55 6.52 0.38 0.41 0.15 -1.26 -4.88 113.70 114.47 1ufb s SER 57 Ca 0.00 0.17 0.11 0.00 0.70 0.00 0.00 55.95 56.93 1ufb s SER 57 Cb 0.00 -2.45 0.76 0.00 -1.71 0.00 0.00 66.02 62.62 1ufb s SER 57 CO 0.00 -1.02 1.88 0.40 1.20 0.00 0.00 173.24 175.69 1ufb h ILE 58 N 6.04 1.21 -0.07 6.45 1.08 -1.94 0.14 117.51 130.43 1ufb h ILE 58 Ca -0.24 -0.99 -0.01 0.00 -0.39 0.00 0.00 64.86 63.24 1ufb h ILE 58 Cb 1.08 1.43 -0.00 0.00 -3.07 0.00 0.00 36.82 36.25 1ufb h ILE 58 CO 1.02 0.29 0.01 0.25 -0.69 0.00 0.00 178.15 179.03 1ufb h LEU 59 N 0.12 0.10 -0.79 1.44 5.85 -1.90 -0.09 115.31 120.05 1ufb h LEU 59 Ca 0.02 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 1ufb h LEU 59 Cb 0.50 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1ufb h LEU 59 CO 0.04 0.33 0.14 0.44 -0.34 0.00 0.00 178.44 179.05 1ufb h ASP 60 N -0.13 1.00 -0.55 1.25 3.32 -1.90 0.11 116.42 119.52 1ufb h ASP 60 Ca 0.02 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 1ufb h ASP 60 Cb 0.27 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1ufb h ASP 60 CO 0.00 0.97 0.23 -0.07 -1.72 0.00 0.00 179.24 178.66 1ufb h LEU 61 N 1.00 0.79 -0.06 1.55 3.38 -0.68 -0.11 115.31 121.18 1ufb h LEU 61 Ca 0.21 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1ufb h LEU 61 Cb 0.37 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ufb h LEU 61 CO 0.00 0.71 -0.56 -0.07 0.09 0.00 0.00 178.44 178.61 1ufb h LEU 62 N 0.85 0.59 -1.48 1.67 4.07 -0.72 -3.30 115.31 116.98 1ufb h LEU 62 Ca 0.20 -0.69 -0.05 0.00 0.08 0.00 0.00 57.88 57.41 1ufb h LEU 62 Cb 0.17 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1ufb h LEU 62 CO -0.02 1.20 -0.23 0.00 -1.08 0.00 0.00 178.44 178.31 1ufb h ALA 63 N 0.41 1.57 -0.08 1.53 0.00 -0.34 -2.83 119.26 119.51 1ufb h ALA 63 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ufb h ALA 63 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ufb h ALA 63 CO 0.11 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.43 1ufb n ASP 64 N -4.25 0.95 -4.76 0.00 8.00 -0.09 -4.92 116.55 111.48 1ufb n ASP 64 Ca -0.02 -1.53 -0.30 0.00 0.71 0.00 0.00 54.79 53.64 1ufb n ASP 64 Cb 0.30 -0.05 0.10 0.00 -0.02 0.00 0.00 41.12 41.45 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 -1.65 2.73 0.35 0.64 1.43 -1.07 -4.95 118.68 116.16 1ufb s LEU 65 Ca 0.33 1.62 -0.28 0.00 -1.03 0.00 0.00 54.13 54.76 1ufb s LEU 65 Cb 0.17 -4.24 -0.11 0.00 0.03 0.00 0.00 46.19 42.04 1ufb s LEU 65 CO 0.26 -2.15 1.41 -2.84 0.23 0.00 0.00 176.35 173.27 1ufb s PRO 66 N -4.97 4.22 0.36 1.29 0.02 -1.26 -4.87 135.00 129.79 1ufb s PRO 66 Ca 0.61 2.42 0.23 0.00 0.02 0.00 0.00 61.00 64.28 1ufb s PRO 66 Cb -0.17 -3.02 1.29 0.00 0.02 0.00 0.00 34.50 32.63 1ufb s PRO 66 CO 0.56 -0.39 1.45 -1.91 -0.33 0.00 0.00 177.00 176.38 1ufb n GLU 67 N 0.70 -0.05 0.00 5.54 4.07 -1.26 0.30 120.64 129.95 1ufb n GLU 67 Ca 0.01 1.24 0.13 0.00 -0.06 0.00 0.00 57.16 58.47 1ufb n GLU 67 Cb 0.40 -2.29 0.72 0.00 -0.06 0.00 0.00 31.44 30.22 1ufb n GLU 67 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1ufb n ASP 68 N -4.92 0.00 -4.64 4.31 5.75 -1.26 -4.64 116.55 111.15 1ufb n ASP 68 Ca 0.36 -0.54 -0.40 0.00 -0.01 0.00 0.00 54.79 54.19 1ufb n ASP 68 Cb 1.27 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 41.20 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 -2.21 5.00 -0.23 2.12 1.01 0.15 -5.02 120.40 121.22 1ufb s VAL 69 Ca 0.34 1.14 -0.25 0.00 0.00 0.00 0.00 61.98 63.20 1ufb s VAL 69 Cb 0.18 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 1ufb s VAL 69 CO 0.33 0.06 0.86 -0.62 0.00 0.00 0.00 175.10 175.74 1ufb s ASP 70 N 1.36 6.89 -0.37 3.32 2.15 -1.26 -4.93 116.67 123.83 1ufb s ASP 70 Ca 0.27 1.11 -0.07 0.00 0.43 0.00 0.00 52.55 54.28 1ufb s ASP 70 Cb -0.16 -2.45 0.05 0.00 -0.30 0.00 0.00 42.92 40.06 1ufb s ASP 70 CO 0.09 -0.53 0.16 -0.69 -0.17 0.00 0.00 175.17 174.03 1ufb s VAL 71 N 2.83 3.91 0.60 1.11 1.01 -1.26 -5.08 120.40 123.52 1ufb s VAL 71 Ca 0.37 -1.25 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 1ufb s VAL 71 Cb -0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1ufb s VAL 71 CO 0.08 -0.30 1.27 -2.65 0.00 0.00 0.00 175.10 173.50 1ufb n PRO 72 N 4.83 1.29 0.25 2.72 -0.02 -1.26 -4.84 135.00 137.98 1ufb n PRO 72 Ca -0.11 0.49 0.15 0.00 -2.02 0.00 0.00 63.50 62.01 1ufb n PRO 72 Cb 0.44 -2.49 0.85 0.00 -0.02 0.00 0.00 33.50 32.27 1ufb n PRO 72 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ufb h GLU 73 N 0.85 0.00 -0.57 -0.52 4.39 -2.00 -1.82 114.58 114.91 1ufb h GLU 73 Ca -0.50 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.31 1ufb h GLU 73 Cb 1.33 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.88 1ufb h GLU 73 CO 0.54 0.00 -0.00 0.22 -1.16 0.00 0.00 179.01 178.61 1ufb h ASP 74 N 0.00 -0.25 -0.24 1.42 3.58 -1.99 -0.66 116.42 118.28 1ufb h ASP 74 Ca 0.04 0.14 -0.16 0.00 0.42 0.00 0.00 57.03 57.47 1ufb h ASP 74 Cb 0.20 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1ufb h ASP 74 CO -0.00 -0.10 -0.42 -0.07 -2.88 0.00 0.00 179.24 175.77 1ufb h LEU 75 N 0.12 0.85 -0.60 2.28 3.38 -1.68 -0.37 115.31 119.29 1ufb h LEU 75 Ca 0.29 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1ufb h LEU 75 Cb 0.46 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1ufb h LEU 75 CO -0.49 1.16 0.29 0.58 0.09 0.00 0.00 178.44 180.07 1ufb h VAL 76 N 0.64 1.21 -0.39 1.22 2.07 -1.49 0.34 116.25 119.87 1ufb h VAL 76 Ca 0.05 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1ufb h VAL 76 Cb 0.99 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1ufb h VAL 76 CO 0.09 0.24 0.14 -0.33 0.02 0.00 0.00 177.57 177.73 1ufb h GLU 77 N 0.82 0.59 -0.93 1.57 5.08 -0.99 -2.11 114.58 118.61 1ufb h GLU 77 Ca 0.20 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1ufb h GLU 77 Cb 0.12 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1ufb h GLU 77 CO -0.03 0.59 0.60 0.00 -1.00 0.00 0.00 179.01 179.17 1ufb h ALA 78 N 0.98 1.18 -0.72 3.43 0.00 -0.63 -2.66 119.26 120.84 1ufb h ALA 78 Ca 0.13 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ufb h ALA 78 Cb 0.23 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1ufb h ALA 78 CO -0.01 0.60 0.45 0.00 0.00 0.00 0.00 179.25 180.29 1ufb h ALA 79 N 1.33 0.94 -0.78 0.00 0.00 -0.05 -0.81 119.26 119.90 1ufb h ALA 79 Ca 0.34 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1ufb h ALA 79 Cb -0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 1ufb h ALA 79 CO -0.07 0.21 0.49 0.87 0.00 0.00 0.00 179.25 180.76 1ufb h LYS 80 N 0.86 0.92 0.01 0.00 1.57 -1.04 0.30 116.57 119.19 1ufb h LYS 80 Ca 0.29 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1ufb h LYS 80 Cb 0.05 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1ufb h LYS 80 CO -0.12 0.61 -0.00 0.28 -0.57 0.00 0.00 179.45 179.65 1ufb h VAL 81 N 0.95 1.27 -0.06 0.50 2.07 -1.26 -3.20 116.25 116.52 1ufb h VAL 81 Ca 0.32 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1ufb h VAL 81 Cb 0.04 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1ufb h VAL 81 CO -0.12 0.21 -0.11 -0.07 0.02 0.00 0.00 177.57 177.50 1ufb h LEU 82 N -0.37 0.08 -2.19 2.57 3.38 -0.93 -2.40 115.31 115.46 1ufb h LEU 82 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ufb h LEU 82 Cb 0.36 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ufb h LEU 82 CO 0.00 0.21 -0.06 0.44 0.09 0.00 0.00 178.44 179.11 1ufb h ASP 83 N 0.09 0.00 0.00 -0.43 3.32 -0.93 -1.33 116.42 117.14 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 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1ufb h ASP 83 CO 0.02 0.06 0.00 0.29 -1.72 0.00 0.00 179.24 177.89 1ufb n LYS 84 N -3.71 0.99 -0.02 3.56 5.02 -0.90 -3.42 118.16 119.67 1ufb n LYS 84 Ca -0.02 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.33 1ufb n LYS 84 Cb 0.16 -1.28 0.06 0.00 -0.02 0.00 0.00 35.03 33.96 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 -0.78 0.06 0.05 2.13 0.53 -0.50 -4.17 117.16 114.47 1ufb n TYR 85 Ca 0.13 -0.06 -0.12 0.00 -1.02 0.00 0.00 57.90 56.83 1ufb n TYR 85 Cb 0.06 -0.00 -0.09 0.00 -1.03 0.00 0.00 39.34 38.28 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 2.38 -0.15 0.01 -0.72 3.20 -1.69 -3.36 116.97 116.64 1ufb h TYR 86 Ca 0.00 -0.00 -0.41 0.00 3.14 0.00 0.00 58.73 61.46 1ufb h TYR 86 Cb 0.54 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.80 1ufb h TYR 86 CO 0.03 0.29 -2.35 -0.89 -1.64 0.00 0.00 178.16 173.60 1ufb n ILE 87 N -4.94 1.54 0.28 1.81 2.08 -1.26 -4.65 119.36 114.22 1ufb n ILE 87 Ca -0.08 -0.43 0.16 0.00 0.56 0.00 0.00 62.75 62.95 1ufb n ILE 87 Cb 0.26 -1.73 0.91 0.00 -0.75 0.00 0.00 39.64 38.33 1ufb n ILE 87 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1ufb h PRO 88 N -0.58 0.00 0.00 0.38 0.11 -1.81 -1.58 132.00 128.52 1ufb h PRO 88 Ca -0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1ufb h PRO 88 Cb 1.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.82 1ufb h PRO 88 CO -0.25 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.79 1ufb n THR 89 N -3.81 0.80 0.00 -1.15 -2.24 -1.26 -3.86 114.28 102.76 1ufb n THR 89 Ca -0.02 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1ufb n THR 89 Cb 0.13 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 1ufb n THR 89 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ufb n ARG 90 N -2.23 2.44 -4.37 -0.78 1.74 -0.66 -4.34 116.66 108.46 1ufb n ARG 90 Ca 0.03 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.77 1ufb n ARG 90 Cb 0.25 -0.77 -0.16 0.00 -1.02 0.00 0.00 32.46 30.77 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 -1.41 2.76 0.48 -1.55 1.51 -0.82 -4.78 117.35 113.54 1ufb s TYR 91 Ca 0.00 -1.37 0.14 0.00 -1.01 0.00 0.00 57.07 54.83 1ufb s TYR 91 Cb 0.00 -1.89 1.13 0.00 -0.11 0.00 0.00 41.96 41.09 1ufb s TYR 91 CO 0.00 -0.66 2.10 -1.35 -1.11 0.00 0.00 175.55 174.54 1ufb h PRO 92 N 7.62 0.13 0.00 -1.71 0.11 -1.87 -1.36 132.00 134.91 1ufb h PRO 92 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1ufb h PRO 92 Cb 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ufb h PRO 92 CO 0.59 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 1ufb n ASP 93 N -4.49 0.00 -0.36 -2.05 5.75 -1.26 -0.71 116.55 113.43 1ufb n ASP 93 Ca -0.02 -0.39 0.14 0.00 -0.01 0.00 0.00 54.79 54.52 1ufb n ASP 93 Cb 0.11 -0.09 0.62 0.00 -1.03 0.00 0.00 41.12 40.73 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 -1.09 2.60 -2.33 2.12 0.00 -0.51 -4.88 120.51 116.41 1ufb n ALA 94 Ca 0.12 -0.38 -0.17 0.00 0.00 0.00 0.00 53.44 53.01 1ufb n ALA 94 Cb 0.09 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.99 1.58 0.28 0.00 3.76 0.11 -4.99 115.29 114.04 1ufb s HIS 95 Ca 0.40 -0.83 0.04 0.00 -0.15 0.00 0.00 55.06 54.52 1ufb s HIS 95 Cb 0.21 -0.88 0.39 0.00 1.11 0.00 0.00 32.58 33.41 1ufb s HIS 95 CO 0.34 0.06 1.68 -1.35 -0.85 0.00 0.00 174.74 174.62 1ufb h PRO 96 N 2.50 0.35 -3.17 8.40 0.11 -1.90 -3.46 132.00 134.84 1ufb h PRO 96 Ca -0.38 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 1ufb h PRO 96 Cb 1.22 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 1ufb h PRO 96 CO 0.65 0.69 0.10 0.00 -0.21 0.00 0.00 178.00 179.22 1ufb s ALA 97 N -4.23 -1.24 0.09 -0.75 0.00 -1.26 -5.11 121.76 109.25 1ufb s ALA 97 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1ufb s ALA 97 Cb 0.13 0.83 0.00 0.00 0.00 0.00 0.00 23.12 24.08 1ufb s ALA 97 CO 0.79 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1ufb n GLY 98 N -0.34 -2.07 3.85 0.00 0.00 -1.26 -4.88 105.19 100.49 1ufb n GLY 98 Ca -0.14 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.13 2.45 0.17 1.61 0.04 -1.26 -4.77 135.00 132.12 1ufb s PRO 99 Ca 0.00 0.53 -0.11 0.00 0.04 0.00 0.00 61.00 61.46 1ufb s PRO 99 Cb 0.00 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.64 1ufb s PRO 99 CO 0.00 -1.34 1.67 0.00 0.04 0.00 0.00 177.00 177.38 1ufb h ALA 100 N -0.88 0.78 -1.01 8.56 0.00 -1.86 -3.26 119.26 121.59 1ufb h ALA 100 Ca -0.46 -0.24 0.24 0.00 0.00 0.00 0.00 54.91 54.45 1ufb h ALA 100 Cb 1.26 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.73 1ufb h ALA 100 CO 0.62 0.51 0.63 0.00 0.00 0.00 0.00 179.25 181.01 1ufb h ALA 101 N 1.02 2.00 0.00 0.00 0.00 -1.87 -1.83 119.26 118.59 1ufb h ALA 101 Ca 0.18 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ufb h ALA 101 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ufb h ALA 101 CO 0.01 -0.41 0.00 2.89 0.00 0.00 0.00 179.25 181.74 1ufb n ARG 102 N -4.71 0.05 -0.22 0.00 1.85 -1.23 -3.31 116.66 109.09 1ufb n ARG 102 Ca 0.25 0.24 0.05 0.00 -1.00 0.00 0.00 57.85 57.38 1ufb n ARG 102 Cb 0.76 -1.58 0.15 0.00 -1.05 0.00 0.00 32.46 30.74 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 -1.67 0.54 -5.04 2.89 8.25 -0.69 -4.87 115.22 114.63 1ufb n HIS 103 Ca 0.04 -0.24 -0.28 0.00 -0.26 0.00 0.00 57.72 56.98 1ufb n HIS 103 Cb 0.22 -0.07 -0.16 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.62 1.98 0.35 4.41 1.51 -1.21 -5.07 117.35 117.71 1ufb s TYR 104 Ca 0.22 -0.50 0.08 0.00 -1.01 0.00 0.00 57.07 55.86 1ufb s TYR 104 Cb 0.13 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 1ufb s TYR 104 CO 0.13 -0.12 0.26 0.95 -1.11 0.00 0.00 175.55 175.65 1ufb s THR 105 N -0.24 3.19 0.19 -0.71 -4.23 -1.26 -4.57 115.64 108.01 1ufb s THR 105 Ca 0.01 -1.47 -0.12 0.00 -1.18 0.00 0.00 61.69 58.93 1ufb s THR 105 Cb -0.11 -3.09 0.11 0.00 1.34 0.00 0.00 72.50 70.75 1ufb s THR 105 CO 0.01 -0.14 1.85 -0.09 -0.54 0.00 0.00 174.62 175.71 1ufb h ARG 106 N 1.31 0.78 -0.76 3.99 2.43 -1.97 -1.00 114.38 119.16 1ufb h ARG 106 Ca -0.44 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.66 1ufb h ARG 106 Cb 1.26 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1ufb h ARG 106 CO 0.60 0.51 0.36 1.25 -1.51 0.00 0.00 179.97 181.19 1ufb h LEU 107 N 0.80 1.00 -0.88 3.80 5.85 -1.99 0.18 115.31 124.06 1ufb h LEU 107 Ca 0.24 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1ufb h LEU 107 Cb -0.04 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.67 1ufb h LEU 107 CO -0.07 0.85 0.56 -0.33 -0.34 0.00 0.00 178.44 179.11 1ufb h GLU 108 N 1.07 1.01 -0.30 1.25 5.08 -1.78 -0.06 114.58 120.84 1ufb h GLU 108 Ca 0.26 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.43 1ufb h GLU 108 Cb 0.12 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1ufb h GLU 108 CO -0.03 0.67 -0.32 0.00 -1.00 0.00 0.00 179.01 178.32 1ufb h ALA 109 N 1.40 0.45 -0.47 3.43 0.00 -0.54 -0.58 119.26 122.94 1ufb h ALA 109 Ca 0.37 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ufb h ALA 109 Cb 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1ufb h ALA 109 CO -0.16 0.49 0.25 0.93 0.00 0.00 0.00 179.25 180.77 1ufb h GLU 110 N 0.51 0.48 -0.37 0.00 5.08 -0.17 -1.88 114.58 118.24 1ufb h GLU 110 Ca 0.05 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1ufb h GLU 110 Cb 0.90 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1ufb h GLU 110 CO 0.08 0.32 -0.23 0.93 -1.00 0.00 0.00 179.01 179.11 1ufb h GLU 111 N 0.50 0.73 -0.92 2.33 5.08 -0.86 -2.63 114.58 118.80 1ufb h GLU 111 Ca 0.20 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1ufb h GLU 111 Cb 0.09 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1ufb h GLU 111 CO -0.13 0.89 0.61 0.00 -1.00 0.00 0.00 179.01 179.38 1ufb h ALA 112 N 1.11 1.18 -0.51 3.43 0.00 -0.73 0.24 119.26 123.98 1ufb h ALA 112 Ca 0.09 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1ufb h ALA 112 Cb 0.72 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1ufb h ALA 112 CO 0.06 0.54 0.27 -0.07 0.00 0.00 0.00 179.25 180.04 1ufb h LEU 113 N 1.22 0.40 -0.74 0.00 3.38 -1.17 0.94 115.31 119.35 1ufb h LEU 113 Ca 0.34 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 1ufb h LEU 113 Cb -0.11 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1ufb h LEU 113 CO -0.09 0.28 0.40 0.44 0.09 0.00 0.00 178.44 179.56 1ufb h ASP 114 N 0.53 0.93 -0.38 -0.43 3.32 -1.00 -0.40 116.42 118.99 1ufb h ASP 114 Ca 0.22 -0.10 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 1ufb h ASP 114 Cb 0.11 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1ufb h ASP 114 CO -0.14 0.76 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.69 1ufb h LEU 115 N 1.02 1.00 -0.71 1.55 3.38 -0.43 -1.02 115.31 120.09 1ufb h LEU 115 Ca 0.26 -0.45 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1ufb h LEU 115 Cb 0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1ufb h LEU 115 CO -0.04 1.25 -0.13 0.00 0.09 0.00 0.00 178.44 179.62 1ufb h ALA 116 N 0.79 0.90 -0.51 1.53 0.00 -0.57 -1.61 119.26 119.79 1ufb h ALA 116 Ca 0.06 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1ufb h ALA 116 Cb 0.97 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1ufb h ALA 116 CO 0.09 0.63 0.31 1.96 0.00 0.00 0.00 179.25 182.25 1ufb h GLN 117 N 0.77 0.61 -0.31 0.00 4.20 -0.90 0.15 115.11 119.63 1ufb h GLN 117 Ca 0.12 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.85 1ufb h GLN 117 Cb 0.64 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 1ufb h GLN 117 CO 0.04 0.41 -0.01 0.87 -0.67 0.00 0.00 178.83 179.47 1ufb h LYS 118 N 0.63 0.08 -0.42 1.46 1.57 -0.82 0.71 116.57 119.78 1ufb h LYS 118 Ca 0.20 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1ufb h LYS 118 Cb -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1ufb h LYS 118 CO -0.08 0.05 0.23 0.82 -0.57 0.00 0.00 179.45 179.90 1ufb h ILE 119 N 0.08 1.16 -0.62 1.86 1.08 -0.74 -1.90 117.51 118.43 1ufb h ILE 119 Ca 0.15 -0.42 -0.02 0.00 -0.39 0.00 0.00 64.86 64.18 1ufb h ILE 119 Cb 0.20 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 1ufb h ILE 119 CO -0.25 0.17 0.32 -0.07 -0.69 0.00 0.00 178.15 177.63 1ufb h LEU 120 N 0.55 0.79 -0.58 1.44 4.07 -0.05 -1.73 115.31 119.80 1ufb h LEU 120 Ca 0.15 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1ufb h LEU 120 Cb 0.07 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 1ufb h LEU 120 CO -0.02 0.68 0.37 0.00 -1.08 0.00 0.00 178.44 178.38 1ufb h ALA 121 N 1.15 0.74 -0.30 1.53 0.00 -0.81 0.84 119.26 122.41 1ufb h ALA 121 Ca 0.22 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1ufb h ALA 121 Cb 0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1ufb h ALA 121 CO -0.03 0.20 0.10 0.35 0.00 0.00 0.00 179.25 179.87 1ufb h PHE 122 N 0.79 0.18 -0.21 0.00 3.57 -0.89 -0.00 116.94 120.38 1ufb h PHE 122 Ca 0.21 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1ufb h PHE 122 Cb -0.05 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1ufb h PHE 122 CO -0.03 0.08 0.08 0.28 -2.23 0.00 0.00 178.31 176.49 1ufb h VAL 123 N 0.23 1.17 -0.73 1.41 2.07 -1.00 -0.24 116.25 119.16 1ufb h VAL 123 Ca 0.13 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.21 1ufb h VAL 123 Cb 0.10 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1ufb h VAL 123 CO -0.14 0.16 0.41 -0.33 0.02 0.00 0.00 177.57 177.70 1ufb h GLU 124 N 0.18 0.72 -0.43 1.57 5.08 -0.51 0.34 114.58 121.52 1ufb h GLU 124 Ca 0.07 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1ufb h GLU 124 Cb 0.18 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1ufb h GLU 124 CO -0.01 0.48 0.23 1.49 -1.00 0.00 0.00 179.01 180.20 1ufb h GLU 125 N 0.74 0.44 -0.00 2.33 4.81 -0.65 -2.75 114.58 119.50 1ufb h GLU 125 Ca 0.33 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1ufb h GLU 125 Cb 0.23 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1ufb h GLU 125 CO -0.20 0.29 -0.26 1.63 -0.73 0.00 0.00 179.01 179.74 1ufb n LYS 126 N -4.89 0.47 0.00 1.92 4.76 -0.13 -5.09 118.16 115.19 1ufb n LYS 126 Ca 0.02 -0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 1ufb n LYS 126 Cb 0.09 -1.50 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