#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iuf n ILE -1 N 0.00 1.42 -1.40 -0.61 2.08 -1.26 -5.12 119.36 114.47 1iuf n ILE -1 Ca 0.00 0.21 0.19 0.00 0.56 0.00 0.00 62.75 63.70 1iuf n ILE -1 Cb 0.00 -2.15 -0.06 0.00 -0.75 0.00 0.00 39.64 36.68 1iuf n ILE -1 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1iuf n HIS 0 N -4.20 -3.58 -3.98 1.39 8.25 -1.26 -4.78 115.22 107.05 1iuf n HIS 0 Ca -0.10 1.83 -0.31 0.00 -0.26 0.00 0.00 57.72 58.88 1iuf n HIS 0 Cb 0.39 -3.26 -0.15 0.00 1.12 0.00 0.00 29.99 28.09 1iuf n HIS 0 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1iuf s MET 1 N -2.73 1.60 0.00 -0.41 0.23 -1.26 -5.10 119.30 111.63 1iuf s MET 1 Ca 0.00 -1.51 0.00 0.00 -1.03 0.00 0.00 55.69 53.15 1iuf s MET 1 Cb 0.00 -2.88 0.00 0.00 -1.53 0.00 0.00 34.83 30.42 1iuf s MET 1 CO 0.00 -0.80 0.00 0.41 -2.03 0.00 0.00 175.02 172.60 1iuf n GLY 2 N 4.44 6.21 0.00 3.16 0.00 -1.26 -5.14 105.19 112.59 1iuf n GLY 2 Ca -0.04 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1iuf n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iuf n LYS 3 N 0.00 0.00 0.00 1.61 5.02 -1.26 -4.99 118.16 118.54 1iuf n LYS 3 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1iuf n LYS 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1iuf n LYS 3 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1iuf n ILE 4 N 0.00 0.00 -2.21 -0.18 2.08 -1.26 -4.95 119.36 112.84 1iuf n ILE 4 Ca 0.00 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.30 1iuf n ILE 4 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1iuf n ILE 4 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1iuf n LYS 5 N 14.00 -2.22 0.00 0.38 5.02 -1.26 -3.76 118.16 130.32 1iuf n LYS 5 Ca 0.00 1.95 0.00 0.00 -2.02 0.00 0.00 58.31 58.24 1iuf n LYS 5 Cb 0.00 -3.60 0.00 0.00 -0.02 0.00 0.00 35.03 31.41 1iuf n LYS 5 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1iuf n ARG 6 N 0.52 0.00 0.00 1.97 3.00 -1.26 -4.01 116.66 116.88 1iuf n ARG 6 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.80 1iuf n ARG 6 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.52 1iuf n ARG 6 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1iuf n ARG 7 N 0.00 0.00 0.00 5.56 0.00 -1.26 -4.94 116.66 116.02 1iuf n ARG 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1iuf n ARG 7 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1iuf n ARG 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iuf n ALA 8 N -1.42 0.00 -1.78 2.89 0.00 -1.25 -4.57 120.51 114.38 1iuf n ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iuf n ALA 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iuf n ALA 8 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1iuf n ILE 9 N 0.00 -5.63 -1.56 0.00 -0.00 -1.26 -4.78 119.36 106.13 1iuf n ILE 9 Ca 0.00 2.58 0.00 0.00 -0.00 0.00 0.00 62.75 65.33 1iuf n ILE 9 Cb 0.00 -3.43 0.00 0.00 -0.00 0.00 0.00 39.64 36.21 1iuf n ILE 9 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1iuf n THR 10 N 0.06 0.00 -0.06 1.39 -2.24 -1.26 -4.97 114.28 107.19 1iuf n THR 10 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1iuf n THR 10 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 1iuf n THR 10 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1iuf h GLU 11 N 0.00 -0.00 -0.02 -0.78 4.81 -1.97 -3.28 114.58 113.34 1iuf h GLU 11 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1iuf h GLU 11 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1iuf h GLU 11 CO 0.00 0.89 0.04 1.25 -0.73 0.00 0.00 179.01 180.46 1iuf h HIS 12 N -0.90 0.00 -0.05 0.92 2.76 -1.98 0.17 115.15 116.07 1iuf h HIS 12 Ca -0.00 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 1iuf h HIS 12 Cb 0.90 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.84 1iuf h HIS 12 CO 0.24 0.00 -0.34 1.49 -1.30 0.00 0.00 177.93 178.02 1iuf h GLU 13 N 0.00 0.10 0.00 5.26 4.57 -1.96 -2.34 114.58 120.21 1iuf h GLU 13 Ca 0.01 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1iuf h GLU 13 Cb 0.08 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1iuf h GLU 13 CO -0.00 0.44 -0.22 -0.22 -1.18 0.00 0.00 179.01 177.82 1iuf h LYS 14 N 0.09 0.00 -1.11 1.92 3.11 -1.09 -2.70 116.57 116.79 1iuf h LYS 14 Ca 0.01 0.00 0.33 0.00 -2.81 0.00 0.00 60.65 58.18 1iuf h LYS 14 Cb 0.65 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 31.76 1iuf h LYS 14 CO 0.05 0.36 0.70 -0.09 -2.81 0.00 0.00 179.45 177.65 1iuf h ARG 15 N -1.00 0.29 0.03 1.90 2.43 -1.42 0.85 114.38 117.46 1iuf h ARG 15 Ca -0.04 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 58.88 1iuf h ARG 15 Cb 0.48 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1iuf h ARG 15 CO -0.02 0.19 -1.19 0.00 -1.51 0.00 0.00 179.97 177.44 1iuf h ALA 16 N 1.67 0.38 -0.16 2.80 0.00 -1.55 -3.10 119.26 119.30 1iuf h ALA 16 Ca 0.70 -1.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1iuf h ALA 16 Cb 1.85 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1iuf h ALA 16 CO -0.41 1.26 -0.12 -0.07 0.00 0.00 0.00 179.25 179.91 1iuf h LEU 17 N 0.02 0.38 -0.38 0.00 4.07 0.84 -0.55 115.31 119.68 1iuf h LEU 17 Ca -0.09 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.42 1iuf h LEU 17 Cb 1.86 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 43.47 1iuf h LEU 17 CO 0.13 0.75 0.25 0.08 -1.08 0.00 0.00 178.44 178.57 1iuf h ARG 18 N 0.02 0.51 0.00 1.13 0.11 -0.40 -0.27 114.38 115.48 1iuf h ARG 18 Ca 0.03 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1iuf h ARG 18 Cb 0.62 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1iuf h ARG 18 CO 0.03 0.36 0.00 0.45 0.10 0.00 0.00 179.97 180.91 1iuf h HIS 19 N 0.51 0.00 0.00 4.08 3.86 -1.52 -1.90 115.15 120.19 1iuf h HIS 19 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1iuf h HIS 19 Cb -0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1iuf h HIS 19 CO -0.04 0.00 0.00 0.98 0.86 0.00 0.00 177.93 179.73 1iuf n TYR 20 N -2.69 0.00 0.24 2.45 4.19 -0.12 0.14 117.16 121.37 1iuf n TYR 20 Ca 0.01 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.34 1iuf n TYR 20 Cb 0.23 -0.47 0.52 0.00 0.49 0.00 0.00 39.34 40.12 1iuf n TYR 20 CO 0.00 0.00 0.00 0.35 0.91 0.00 0.00 176.86 178.12 1iuf h PHE 21 N 0.00 0.00 0.00 2.98 3.57 -1.57 -3.23 116.94 118.69 1iuf h PHE 21 Ca 0.00 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1iuf h PHE 21 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1iuf h PHE 21 CO 0.18 0.14 -1.97 1.19 -2.23 0.00 0.00 178.31 175.63 1iuf n PHE 22 N -3.28 0.20 -3.73 0.41 3.01 -0.71 -4.16 117.46 109.20 1iuf n PHE 22 Ca 0.00 0.06 -0.32 0.00 1.01 0.00 0.00 57.45 58.21 1iuf n PHE 22 Cb 0.39 -0.76 -0.09 0.00 -0.01 0.00 0.00 39.48 39.02 1iuf n PHE 22 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1iuf n GLN 23 N -2.52 2.31 -3.86 -1.08 7.27 0.38 -4.99 117.38 114.90 1iuf n GLN 23 Ca -0.13 -4.50 -0.16 0.00 0.07 0.00 0.00 57.00 52.28 1iuf n GLN 23 Cb 0.78 -2.35 -0.06 0.00 2.41 0.00 0.00 30.24 31.02 1iuf n GLN 23 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1iuf n LEU 24 N 2.02 0.00 -3.27 1.69 7.99 -1.26 -4.67 117.00 119.49 1iuf n LEU 24 Ca 0.22 -2.66 -0.29 0.00 -0.01 0.00 0.00 56.01 53.26 1iuf n LEU 24 Cb 0.36 1.58 -0.02 0.00 -0.11 0.00 0.00 43.42 45.23 1iuf n LEU 24 CO 0.33 -0.47 2.64 0.00 -1.51 0.00 0.00 177.39 178.37 1iuf n GLN 25 N -0.53 2.50 0.00 3.23 1.13 -1.26 -4.55 117.38 117.90 1iuf n GLN 25 Ca 0.06 -1.74 0.00 0.00 -1.94 0.00 0.00 57.00 53.38 1iuf n GLN 25 Cb 0.51 -2.62 0.00 0.00 0.11 0.00 0.00 30.24 28.24 1iuf n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1iuf n ASN 26 N 4.40 0.00 -3.74 1.08 5.15 -1.26 -4.89 115.26 116.00 1iuf n ASN 26 Ca 0.54 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 54.25 1iuf n ASN 26 Cb 0.19 0.00 -0.17 0.00 -0.53 0.00 0.00 39.78 39.28 1iuf n ASN 26 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1iuf s ARG 27 N 0.00 0.66 0.00 1.20 3.52 -1.26 -5.02 118.95 118.05 1iuf s ARG 27 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 1iuf s ARG 27 Cb 0.00 -2.04 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 1iuf s ARG 27 CO 0.00 -0.62 0.00 -1.13 -0.81 0.00 0.00 175.30 172.74 1iuf n SER 28 N 5.05 0.00 0.00 -2.12 3.41 -1.26 -5.00 113.62 113.70 1iuf n SER 28 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1iuf n SER 28 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1iuf n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iuf n GLY 29 N 1.28 3.68 0.44 5.00 0.00 -1.26 -4.88 105.19 109.46 1iuf n GLY 29 Ca 0.00 -0.39 0.28 0.00 0.00 0.00 0.00 46.02 45.92 1iuf n GLY 29 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1iuf h GLN 30 N 0.00 0.25 -0.16 1.61 4.15 -1.98 0.30 115.11 119.28 1iuf h GLN 30 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1iuf h GLN 30 Cb 0.00 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1iuf h GLN 30 CO 0.00 0.17 0.10 1.96 -1.93 0.00 0.00 178.83 179.13 1iuf h GLN 31 N 0.26 0.22 -0.99 1.69 4.20 -1.99 -2.07 115.11 116.43 1iuf h GLN 31 Ca 0.65 -0.02 0.27 0.00 0.06 0.00 0.00 58.65 59.61 1iuf h GLN 31 Cb 1.90 -0.05 -0.13 0.00 0.30 0.00 0.00 27.48 29.50 1iuf h GLN 31 CO -0.28 0.17 0.55 -0.44 -0.67 0.00 0.00 178.83 178.15 1iuf h ASP 32 N 0.21 0.55 0.10 1.46 3.32 -0.73 0.68 116.42 122.01 1iuf h ASP 32 Ca 0.06 0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1iuf h ASP 32 Cb 0.00 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1iuf h ASP 32 CO -0.01 -0.01 -0.24 0.25 -1.72 0.00 0.00 179.24 177.51 1iuf h LEU 33 N 0.45 -0.69 -2.18 1.55 5.85 -1.28 0.59 115.31 119.60 1iuf h LEU 33 Ca 0.66 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.51 1iuf h LEU 33 Cb 1.36 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 1iuf h LEU 33 CO -0.54 -0.33 0.13 0.40 -0.34 0.00 0.00 178.44 177.76 1iuf h ILE 34 N -0.44 0.68 -0.67 4.05 2.04 0.42 -1.78 117.51 121.81 1iuf h ILE 34 Ca 0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.97 1iuf h ILE 34 Cb 0.47 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 1iuf h ILE 34 CO -0.15 0.00 0.35 -0.08 0.00 0.00 0.00 178.15 178.27 1iuf h GLU 35 N 0.00 0.61 0.00 2.37 4.57 0.17 0.77 114.58 123.07 1iuf h GLU 35 Ca 0.07 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1iuf h GLU 35 Cb 0.32 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1iuf h GLU 35 CO -0.00 0.41 -0.08 0.11 -1.18 0.00 0.00 179.01 178.27 1iuf h TRP 36 N 0.63 0.00 0.08 0.92 5.08 -1.18 -2.62 115.95 118.85 1iuf h TRP 36 Ca 0.32 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.28 1iuf h TRP 36 Cb 0.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.42 1iuf h TRP 36 CO -0.09 0.00 -0.04 0.74 -1.28 0.00 0.00 178.44 177.77 1iuf h PHE 37 N 0.00 -0.09 -0.92 0.12 0.04 -0.43 -0.76 116.94 114.90 1iuf h PHE 37 Ca 0.00 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1iuf h PHE 37 Cb 0.76 0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.90 1iuf h PHE 37 CO 0.00 0.44 0.61 0.00 -0.60 0.00 0.00 178.31 178.76 1iuf h ARG 38 N -0.90 1.16 0.00 1.51 3.08 0.36 -1.74 114.38 117.85 1iuf h ARG 38 Ca -0.01 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 1iuf h ARG 38 Cb 0.58 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1iuf h ARG 38 CO 0.02 0.77 -0.51 1.49 -1.07 0.00 0.00 179.97 180.66 1iuf h GLU 39 N 1.20 0.00 0.13 0.04 4.81 -1.54 0.78 114.58 120.01 1iuf h GLU 39 Ca 0.35 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.40 1iuf h GLU 39 Cb -0.06 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.34 1iuf h GLU 39 CO -0.09 0.51 -0.77 1.57 -0.73 0.00 0.00 179.01 179.50 1iuf h LYS 40 N 0.00 0.29 0.00 1.92 2.10 -0.62 -3.40 116.57 116.86 1iuf h LYS 40 Ca -0.01 -0.49 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1iuf h LYS 40 Cb 1.30 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 1iuf h LYS 40 CO 0.07 1.23 -0.04 1.97 -2.00 0.00 0.00 179.45 180.68 1iuf n PHE 41 N -4.15 0.00 0.00 0.07 1.16 -0.70 -4.34 117.46 109.50 1iuf n PHE 41 Ca -0.14 -0.32 0.00 0.00 -1.87 0.00 0.00 57.45 55.13 1iuf n PHE 41 Cb 0.81 -0.04 0.00 0.00 -1.61 0.00 0.00 39.48 38.64 1iuf n PHE 41 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1iuf n GLY 42 N -0.35 2.72 0.00 4.97 0.00 0.27 -4.68 105.19 108.13 1iuf n GLY 42 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1iuf n GLY 42 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1iuf n LYS 43 N 0.00 0.00 -0.70 1.61 2.85 -1.22 -4.20 118.16 116.49 1iuf n LYS 43 Ca 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 1iuf n LYS 43 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1iuf n LYS 43 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1iuf n ASP 44 N 0.00 -0.49 -3.18 -5.58 -0.08 -1.26 -4.98 116.55 100.97 1iuf n ASP 44 Ca 0.00 -1.16 -0.21 0.00 -1.51 0.00 0.00 54.79 51.91 1iuf n ASP 44 Cb 0.00 0.15 -0.06 0.00 2.34 0.00 0.00 41.12 43.55 1iuf n ASP 44 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1iuf n ILE 45 N 0.00 -0.76 -1.18 5.18 2.08 -1.26 -4.96 119.36 118.46 1iuf n ILE 45 Ca -0.14 -3.19 -0.24 0.00 0.56 0.00 0.00 62.75 59.75 1iuf n ILE 45 Cb 0.49 -1.15 -0.11 0.00 -0.75 0.00 0.00 39.64 38.12 1iuf n ILE 45 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1iuf n SER 46 N 2.17 6.70 -2.24 4.38 2.88 -1.26 -4.54 113.62 121.72 1iuf n SER 46 Ca 0.23 -2.58 -0.17 0.00 -1.33 0.00 0.00 58.87 55.02 1iuf n SER 46 Cb 0.52 -1.46 0.02 0.00 -0.75 0.00 0.00 64.21 62.55 1iuf n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iuf n GLN 47 N 2.77 -3.22 -0.12 -1.46 10.64 -1.26 -4.95 117.38 119.77 1iuf n GLN 47 Ca 0.57 0.72 -0.25 0.00 -1.83 0.00 0.00 57.00 56.21 1iuf n GLN 47 Cb 0.62 -5.12 -0.09 0.00 -0.86 0.00 0.00 30.24 24.78 1iuf n GLN 47 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1iuf n PRO 48 N -3.10 0.57 -0.00 2.61 -0.04 -1.26 -4.61 135.00 129.17 1iuf n PRO 48 Ca -0.11 0.35 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 1iuf n PRO 48 Cb 0.60 -1.56 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 1iuf n PRO 48 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1iuf n SER 49 N -4.33 0.87 -0.43 3.54 7.64 -1.26 -4.35 113.62 115.30 1iuf n SER 49 Ca -0.43 -0.87 0.38 0.00 1.01 0.00 0.00 58.87 58.96 1iuf n SER 49 Cb 0.77 1.13 0.72 0.00 -1.01 0.00 0.00 64.21 65.82 1iuf n SER 49 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1iuf h VAL 50 N 0.00 0.29 0.16 0.44 -1.51 -1.92 1.32 116.25 115.03 1iuf h VAL 50 Ca 0.00 -0.03 -0.33 0.00 -1.23 0.00 0.00 66.70 65.11 1iuf h VAL 50 Cb 0.56 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 29.94 1iuf h VAL 50 CO 0.00 0.01 -1.65 0.77 -1.23 0.00 0.00 177.57 175.47 1iuf h SER 51 N 0.07 0.53 0.03 4.19 4.64 -1.87 -2.97 113.55 118.17 1iuf h SER 51 Ca 0.70 -0.77 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1iuf h SER 51 Cb 2.55 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 64.46 1iuf h SER 51 CO -0.12 1.64 -0.02 -0.61 -0.87 0.00 0.00 176.83 176.86 1iuf h GLN 52 N 0.09 -0.04 0.00 4.77 4.15 0.11 -0.34 115.11 123.86 1iuf h GLN 52 Ca -0.30 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1iuf h GLN 52 Cb 2.07 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.77 1iuf h GLN 52 CO 0.18 0.08 0.00 0.82 -1.93 0.00 0.00 178.83 177.98 1iuf h ILE 53 N -0.15 0.00 0.10 2.39 2.04 0.38 0.88 117.51 123.15 1iuf h ILE 53 Ca -0.00 -0.41 -0.26 0.00 1.00 0.00 0.00 64.86 65.18 1iuf h ILE 53 Cb 0.14 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1iuf h ILE 53 CO 0.01 0.00 -1.18 0.25 0.00 0.00 0.00 178.15 177.23 1iuf h LEU 54 N 0.00 0.34 0.00 1.44 7.12 -1.24 -2.88 115.31 120.09 1iuf h LEU 54 Ca 0.00 -0.36 0.00 0.00 0.13 0.00 0.00 57.88 57.65 1iuf h LEU 54 Cb 0.42 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 1iuf h LEU 54 CO 0.00 1.27 -0.16 -0.24 -0.13 0.00 0.00 178.44 179.18 1iuf n SER 55 N -3.50 0.48 0.00 1.25 2.88 -0.19 -4.40 113.62 110.14 1iuf n SER 55 Ca -0.07 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1iuf n SER 55 Cb 1.00 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1iuf n SER 55 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1iuf n SER 56 N -2.97 0.00 0.11 -3.46 2.88 0.30 0.41 113.62 110.89 1iuf n SER 56 Ca -0.02 0.70 0.19 0.00 -1.33 0.00 0.00 58.87 58.41 1iuf n SER 56 Cb 0.08 -0.20 0.75 0.00 -0.75 0.00 0.00 64.21 64.09 1iuf n SER 56 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1iuf h LYS 57 N 0.00 0.00 0.00 -1.46 1.57 -1.52 0.42 116.57 115.58 1iuf h LYS 57 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1iuf h LYS 57 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1iuf h LYS 57 CO 0.00 0.00 -0.25 -0.92 -0.57 0.00 0.00 179.45 177.71 1iuf h TYR 58 N 0.00 0.00 0.19 -1.35 3.20 -1.24 -3.08 116.97 114.69 1iuf h TYR 58 Ca 0.17 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.72 1iuf h TYR 58 Cb 0.80 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.09 1iuf h TYR 58 CO 0.00 0.25 -1.49 1.03 -1.64 0.00 0.00 178.16 176.31 1iuf h SER 59 N 0.00 0.62 -0.38 -2.11 0.87 0.45 -2.39 113.55 110.62 1iuf h SER 59 Ca -0.00 -0.74 0.07 0.00 -1.23 0.00 0.00 61.79 59.88 1iuf h SER 59 Cb 0.94 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.64 1iuf h SER 59 CO 0.03 1.60 0.03 0.22 -0.53 0.00 0.00 176.83 178.18 1iuf h TYR 60 N 0.11 0.03 -0.00 2.24 3.20 -1.34 0.12 116.97 121.33 1iuf h TYR 60 Ca -0.24 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.65 1iuf h TYR 60 Cb 2.09 0.04 0.00 0.00 1.54 0.00 0.00 36.73 40.40 1iuf h TYR 60 CO 0.10 -0.04 -0.08 1.28 -1.64 0.00 0.00 178.16 177.78 1iuf n LEU 61 N -5.16 0.25 -0.27 2.82 4.77 -1.17 -2.70 117.00 115.55 1iuf n LEU 61 Ca 0.02 0.15 0.14 0.00 -0.03 0.00 0.00 56.01 56.29 1iuf n LEU 61 Cb 0.19 -0.24 0.53 0.00 -2.33 0.00 0.00 43.42 41.57 1iuf n LEU 61 CO 0.21 0.05 0.82 -0.67 -1.33 0.00 0.00 177.39 176.47 1iuf n ASP 62 N -1.14 0.95 -0.05 -1.43 -0.08 0.35 -3.90 116.55 111.25 1iuf n ASP 62 Ca 0.14 -1.01 -0.05 0.00 -1.51 0.00 0.00 54.79 52.35 1iuf n ASP 62 Cb 0.27 0.03 -0.07 0.00 2.34 0.00 0.00 41.12 43.69 1iuf n ASP 62 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1iuf n ASN 63 N -0.49 2.88 -3.19 1.67 5.15 -0.74 -5.02 115.26 115.52 1iuf n ASN 63 Ca 0.16 -0.02 -0.17 0.00 -0.60 0.00 0.00 54.58 53.95 1iuf n ASN 63 Cb 0.31 0.47 -0.05 0.00 -0.53 0.00 0.00 39.78 39.98 1iuf n ASN 63 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1iuf s THR 64 N -2.22 0.00 0.00 -0.44 -1.32 -1.18 -5.14 115.64 105.34 1iuf s THR 64 Ca -0.07 -1.74 0.00 0.00 -1.21 0.00 0.00 61.69 58.67 1iuf s THR 64 Cb 0.03 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.40 1iuf s THR 64 CO 0.34 0.00 0.00 1.33 -2.21 0.00 0.00 174.62 174.08 1iuf n VAL 65 N -0.61 0.00 1.39 5.08 0.24 -1.26 -4.56 118.33 118.60 1iuf n VAL 65 Ca 0.03 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.37 1iuf n VAL 65 Cb 0.62 -0.71 0.08 0.00 -1.47 0.00 0.00 33.84 32.36 1iuf n VAL 65 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1iuf n GLU 66 N 0.00 1.45 -0.95 7.34 1.02 -1.26 -3.94 120.64 124.30 1iuf n GLU 66 Ca 0.00 -0.69 -0.06 0.00 -0.02 0.00 0.00 57.16 56.39 1iuf n GLU 66 Cb 0.00 -1.15 0.17 0.00 -0.02 0.00 0.00 31.44 30.44 1iuf n GLU 66 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1iuf n LYS 67 N 0.06 2.05 0.00 3.49 2.85 -1.26 -3.77 118.16 121.59 1iuf n LYS 67 Ca 0.06 -3.37 0.00 0.00 -1.05 0.00 0.00 58.31 53.95 1iuf n LYS 67 Cb 0.16 -1.85 0.00 0.00 -0.65 0.00 0.00 35.03 32.69 1iuf n LYS 67 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1iuf n PRO 68 N -1.06 0.00 0.00 -1.58 -0.04 -1.25 -5.00 135.00 126.07 1iuf n PRO 68 Ca 0.32 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1iuf n PRO 68 Cb 0.92 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1iuf n PRO 68 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1iuf n TRP 69 N -2.06 0.00 -2.10 0.54 2.14 -1.26 -4.97 117.44 109.73 1iuf n TRP 69 Ca 0.00 0.00 -0.00 0.00 2.07 0.00 0.00 57.50 59.57 1iuf n TRP 69 Cb 0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1iuf n TRP 69 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1iuf n ASP 70 N -1.52 0.07 -0.02 -0.67 8.00 -1.26 -4.91 116.55 116.23 1iuf n ASP 70 Ca 0.00 -1.73 0.23 0.00 0.71 0.00 0.00 54.79 54.00 1iuf n ASP 70 Cb 0.00 -0.10 0.61 0.00 -0.02 0.00 0.00 41.12 41.61 1iuf n ASP 70 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1iuf h VAL 71 N 6.22 0.19 0.36 2.53 2.07 -1.94 -1.94 116.25 123.75 1iuf h VAL 71 Ca -0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1iuf h VAL 71 Cb 1.39 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1iuf h VAL 71 CO -0.02 0.00 -0.17 0.11 0.02 0.00 0.00 177.57 177.51 1iuf h LYS 72 N 0.00 -0.47 -6.02 1.57 1.57 -1.91 -3.42 116.57 107.89 1iuf h LYS 72 Ca 0.31 0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 58.55 1iuf h LYS 72 Cb 1.85 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 34.23 1iuf h LYS 72 CO -0.00 -0.31 -0.29 0.50 -0.57 0.00 0.00 179.45 178.78 1iuf s ARG 73 N -3.62 2.27 0.00 3.15 6.06 -0.73 -5.12 118.95 120.97 1iuf s ARG 73 Ca -0.07 -1.95 0.00 0.00 -2.50 0.00 0.00 55.73 51.20 1iuf s ARG 73 Cb 0.01 -2.17 0.00 0.00 0.06 0.00 0.00 34.95 32.85 1iuf s ARG 73 CO 0.21 -0.62 0.00 -1.71 -2.50 0.00 0.00 175.30 170.68 1iuf n ASN 74 N -1.80 0.00 -3.63 -2.12 2.85 -1.26 -4.83 115.26 104.47 1iuf n ASN 74 Ca 0.01 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.18 1iuf n ASN 74 Cb 0.64 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.68 1iuf n ASN 74 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1iuf n ARG 75 N 0.00 -1.73 -3.07 1.20 1.85 -1.26 -4.93 116.66 108.72 1iuf n ARG 75 Ca 0.00 1.10 -0.35 0.00 -1.00 0.00 0.00 57.85 57.60 1iuf n ARG 75 Cb 0.00 -2.38 -0.06 0.00 -1.05 0.00 0.00 32.46 28.97 1iuf n ARG 75 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1iuf s PRO 76 N -3.77 4.20 0.00 2.89 0.04 -1.26 -5.09 135.00 132.01 1iuf s PRO 76 Ca 0.17 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1iuf s PRO 76 Cb -0.02 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1iuf s PRO 76 CO 0.88 0.28 0.00 -2.30 0.04 0.00 0.00 177.00 175.90 1iuf n PRO 77 N 0.26 2.48 0.00 0.56 -0.02 -1.26 -5.02 135.00 132.00 1iuf n PRO 77 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1iuf n PRO 77 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1iuf n PRO 77 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1iuf n LYS 78 N 0.00 1.90 -3.93 -0.52 4.81 -1.26 -4.94 118.16 114.22 1iuf n LYS 78 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1iuf n LYS 78 Cb 0.00 -0.94 -0.14 0.00 0.02 0.00 0.00 35.03 33.96 1iuf n LYS 78 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1iuf s TYR 79 N -1.89 3.13 0.03 5.64 2.02 -1.26 -4.98 117.35 120.05 1iuf s TYR 79 Ca 0.00 -2.99 -0.19 0.00 -0.37 0.00 0.00 57.07 53.51 1iuf s TYR 79 Cb 0.00 -2.70 -0.17 0.00 -0.40 0.00 0.00 41.96 38.69 1iuf s TYR 79 CO 0.00 -0.80 1.25 -1.35 -1.57 0.00 0.00 175.55 173.07 1iuf h PRO 80 N 6.87 0.42 0.08 -1.71 0.11 -2.01 -2.97 132.00 132.80 1iuf h PRO 80 Ca -0.06 -0.31 -0.25 0.00 0.11 0.00 0.00 66.00 65.49 1iuf h PRO 80 Cb 0.93 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1iuf h PRO 80 CO 0.61 0.93 -1.13 -0.07 -0.21 0.00 0.00 178.00 178.13 1iuf h LEU 81 N -0.00 0.38 -0.44 2.35 3.38 -2.01 -3.23 115.31 115.74 1iuf h LEU 81 Ca -0.01 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1iuf h LEU 81 Cb 0.96 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1iuf h LEU 81 CO 0.07 1.26 0.23 -0.07 0.09 0.00 0.00 178.44 180.02 1iuf h LEU 82 N 0.09 0.56 -0.17 1.67 -0.00 -1.98 -2.31 115.31 113.17 1iuf h LEU 82 Ca -0.10 -0.11 0.02 0.00 -0.00 0.00 0.00 57.88 57.69 1iuf h LEU 82 Cb 1.84 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 42.34 1iuf h LEU 82 CO 0.18 0.51 0.04 -0.33 -0.00 0.00 0.00 178.44 178.84 1iuf h GLU 83 N 0.57 0.10 -0.32 1.13 5.08 -1.61 1.08 114.58 120.62 1iuf h GLU 83 Ca 0.15 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 1iuf h GLU 83 Cb 0.09 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 1iuf h GLU 83 CO -0.02 0.07 0.04 0.00 -1.00 0.00 0.00 179.01 178.10 1iuf h ALA 84 N 1.12 0.32 -0.12 3.43 0.00 -1.54 0.41 119.26 122.88 1iuf h ALA 84 Ca 0.08 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 1iuf h ALA 84 Cb 0.07 0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1iuf h ALA 84 CO -0.10 -0.37 -0.79 0.00 0.00 0.00 0.00 179.25 178.00 1iuf h ALA 85 N 1.25 0.39 0.00 0.00 0.00 -1.15 -2.95 119.26 116.79 1iuf h ALA 85 Ca 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1iuf h ALA 85 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1iuf h ALA 85 CO -0.22 0.71 0.00 1.28 0.00 0.00 0.00 179.25 181.02 1iuf n LEU 86 N -3.89 0.45 0.03 0.00 7.99 0.37 -3.33 117.00 118.61 1iuf n LEU 86 Ca -0.07 0.59 -0.01 0.00 -0.01 0.00 0.00 56.01 56.51 1iuf n LEU 86 Cb 0.75 -0.51 -0.01 0.00 -0.11 0.00 0.00 43.42 43.54 1iuf n LEU 86 CO 0.52 -0.37 0.16 0.15 -1.51 0.00 0.00 177.39 176.34 1iuf h PHE 87 N 0.00 -0.08 -1.30 -1.77 3.04 -0.02 -2.91 116.94 113.89 1iuf h PHE 87 Ca 0.00 -0.00 0.42 0.00 3.98 0.00 0.00 57.97 62.37 1iuf h PHE 87 Cb 0.41 0.03 -0.10 0.00 2.56 0.00 0.00 35.95 38.85 1iuf h PHE 87 CO 0.00 -0.05 0.88 -0.85 -2.02 0.00 0.00 178.31 176.27 1iuf n GLU 88 N -2.59 -0.02 0.02 1.11 0.28 -1.18 0.18 120.64 118.44 1iuf n GLU 88 Ca -0.01 0.97 -0.19 0.00 -0.16 0.00 0.00 57.16 57.77 1iuf n GLU 88 Cb 0.03 -2.02 -0.11 0.00 1.43 0.00 0.00 31.44 30.77 1iuf n GLU 88 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 177.13 177.08 1iuf h TRP 89 N 0.00 0.72 0.14 -1.84 5.08 -1.61 -3.16 115.95 115.27 1iuf h TRP 89 Ca 0.73 -0.41 -0.01 0.00 1.08 0.00 0.00 58.89 60.29 1iuf h TRP 89 Cb 2.59 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 28.68 1iuf h TRP 89 CO -0.00 1.24 -0.07 0.37 -1.28 0.00 0.00 178.44 178.70 1iuf h GLN 90 N -0.01 -0.18 -0.68 0.12 5.75 0.22 0.03 115.11 120.36 1iuf h GLN 90 Ca -0.10 0.01 0.15 0.00 -0.15 0.00 0.00 58.65 58.56 1iuf h GLN 90 Cb 1.47 0.04 -0.12 0.00 1.07 0.00 0.00 27.48 29.94 1iuf h GLN 90 CO 0.15 -0.02 -0.04 0.28 -2.65 0.00 0.00 178.83 176.55 1iuf h VAL 91 N -0.30 0.40 -0.06 2.39 2.07 -1.29 1.00 116.25 120.46 1iuf h VAL 91 Ca -0.02 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 1iuf h VAL 91 Cb 0.24 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1iuf h VAL 91 CO 0.03 0.01 -0.33 1.56 0.02 0.00 0.00 177.57 178.86 1iuf h GLN 92 N 0.08 0.12 -0.88 1.57 1.08 -1.48 -2.46 115.11 113.13 1iuf h GLN 92 Ca 0.35 -0.04 -0.49 0.00 -1.45 0.00 0.00 58.65 57.02 1iuf h GLN 92 Cb 0.59 -0.01 -0.27 0.00 -0.05 0.00 0.00 27.48 27.73 1iuf h GLN 92 CO -0.62 0.44 0.52 0.94 -0.95 0.00 0.00 178.83 179.16 1iuf n GLN 93 N -4.11 2.31 0.00 1.46 7.27 0.23 -4.77 117.38 119.77 1iuf n GLN 93 Ca -0.02 -3.14 0.00 0.00 0.07 0.00 0.00 57.00 53.91 1iuf n GLN 93 Cb 0.40 -2.14 0.00 0.00 2.41 0.00 0.00 30.24 30.90 1iuf n GLN 93 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1iuf n GLY 94 N -1.08 0.01 7.00 1.69 0.00 0.28 -4.86 105.19 108.23 1iuf n GLY 94 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1iuf n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iuf n ASP 95 N -0.06 -1.37 -0.62 1.61 -0.08 -1.26 -2.77 116.55 111.99 1iuf n ASP 95 Ca 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.31 1iuf n ASP 95 Cb 0.00 0.00 0.12 0.00 2.34 0.00 0.00 41.12 43.58 1iuf n ASP 95 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1iuf n ASP 96 N -3.04 1.73 -4.07 1.67 9.92 -1.26 -4.96 116.55 116.54 1iuf n ASP 96 Ca 0.00 -2.11 -0.37 0.00 -0.53 0.00 0.00 54.79 51.78 1iuf n ASP 96 Cb 0.00 -0.30 0.06 0.00 -0.64 0.00 0.00 41.12 40.24 1iuf n ASP 96 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iuf n ALA 97 N 0.21 -5.31 -3.56 2.24 0.00 -1.12 -5.02 120.51 107.95 1iuf n ALA 97 Ca 0.08 -1.24 0.02 0.00 0.00 0.00 0.00 53.44 52.31 1iuf n ALA 97 Cb 0.33 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 18.76 1iuf n ALA 97 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iuf n THR 98 N -3.55 0.00 -2.74 0.00 -2.24 -1.26 -5.09 114.28 99.40 1iuf n THR 98 Ca -0.01 -0.51 -0.02 0.00 -2.27 0.00 0.00 64.05 61.24 1iuf n THR 98 Cb 0.69 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 1iuf n THR 98 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1iuf n LEU 99 N 0.00 -7.06 -4.70 3.22 -0.00 -1.26 -4.86 117.00 102.34 1iuf n LEU 99 Ca -0.04 1.59 -0.30 0.00 -0.00 0.00 0.00 56.01 57.27 1iuf n LEU 99 Cb 0.39 -3.14 0.14 0.00 -0.00 0.00 0.00 43.42 40.81 1iuf n LEU 99 CO 0.16 -3.31 0.66 -0.94 -0.00 0.00 0.00 177.39 173.96 1iuf s SER 100 N -1.27 3.33 0.32 1.96 1.04 -1.26 -4.03 113.70 113.80 1iuf s SER 100 Ca -0.08 1.55 0.00 0.00 0.48 0.00 0.00 55.95 57.90 1iuf s SER 100 Cb 0.01 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1iuf s SER 100 CO 0.70 -2.74 0.00 0.61 0.98 0.00 0.00 173.24 172.79 1iuf n GLY 101 N -0.92 0.96 0.62 7.32 0.00 -1.26 -4.40 105.19 107.51 1iuf n GLY 101 Ca 0.07 -1.09 0.46 0.00 0.00 0.00 0.00 46.02 45.46 1iuf n GLY 101 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1iuf n GLU 102 N 3.82 0.00 -0.20 1.61 4.07 -1.26 0.97 120.64 129.65 1iuf n GLU 102 Ca 0.00 0.95 0.30 0.00 -0.06 0.00 0.00 57.16 58.35 1iuf n GLU 102 Cb 0.00 -2.20 0.72 0.00 -0.06 0.00 0.00 31.44 29.90 1iuf n GLU 102 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1iuf h THR 103 N 0.00 0.39 0.00 6.31 1.03 -1.77 -0.29 112.91 118.58 1iuf h THR 103 Ca 0.81 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 67.21 1iuf h THR 103 Cb 3.30 0.45 0.00 0.00 -1.07 0.00 0.00 68.15 70.83 1iuf h THR 103 CO -0.01 0.00 -0.39 0.40 -0.01 0.00 0.00 175.52 175.51 1iuf h ILE 104 N 0.00 0.00 -1.35 0.00 5.03 0.29 -3.12 117.51 118.36 1iuf h ILE 104 Ca 0.45 -0.96 0.39 0.00 -0.12 0.00 0.00 64.86 64.63 1iuf h ILE 104 Cb 1.97 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 35.70 1iuf h ILE 104 CO -0.00 0.00 1.10 1.17 -0.68 0.00 0.00 178.15 179.73 1iuf n LYS 105 N -4.54 0.00 -0.06 2.37 4.81 -0.55 0.30 118.16 120.49 1iuf n LYS 105 Ca -0.06 0.85 -0.18 0.00 -0.87 0.00 0.00 58.31 58.06 1iuf n LYS 105 Cb 0.20 -2.02 -0.13 0.00 0.02 0.00 0.00 35.03 33.10 1iuf n LYS 105 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1iuf h ARG 106 N 0.00 0.06 -0.32 1.64 1.12 -1.25 -2.68 114.38 112.96 1iuf h ARG 106 Ca 0.64 -0.11 -0.11 0.00 -1.11 0.00 0.00 59.98 59.29 1iuf h ARG 106 Cb 2.82 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 32.82 1iuf h ARG 106 CO -0.01 1.05 -0.22 0.00 -3.11 0.00 0.00 179.97 177.68 1iuf h ALA 107 N -0.15 0.45 0.27 2.80 0.00 0.46 -2.15 119.26 120.95 1iuf h ALA 107 Ca -0.17 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1iuf h ALA 107 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1iuf h ALA 107 CO -0.04 0.42 -0.13 0.00 0.00 0.00 0.00 179.25 179.50 1iuf h ALA 108 N 0.74 -0.37 -0.17 0.00 0.00 0.30 1.45 119.26 121.22 1iuf h ALA 108 Ca 0.06 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1iuf h ALA 108 Cb 0.78 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1iuf h ALA 108 CO 0.06 -0.53 0.18 0.00 0.00 0.00 0.00 179.25 178.95 1iuf h ALA 109 N -0.12 1.82 0.00 0.00 0.00 -1.55 0.13 119.26 119.55 1iuf h ALA 109 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1iuf h ALA 109 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1iuf h ALA 109 CO 0.06 -0.26 -1.62 1.51 0.00 0.00 0.00 179.25 178.93 1iuf n ILE 110 N -3.88 0.04 -0.02 0.00 0.13 -0.81 -3.45 119.36 111.37 1iuf n ILE 110 Ca 0.01 -0.36 -0.16 0.00 -1.10 0.00 0.00 62.75 61.15 1iuf n ILE 110 Cb 0.30 0.25 -0.10 0.00 -0.84 0.00 0.00 39.64 39.25 1iuf n ILE 110 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 176.55 179.60 1iuf h LEU 111 N 0.00 0.48 0.00 9.51 6.46 0.46 -2.53 115.31 129.69 1iuf h LEU 111 Ca 0.00 -0.68 0.00 0.00 -0.12 0.00 0.00 57.88 57.08 1iuf h LEU 111 Cb 0.85 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1iuf h LEU 111 CO 0.00 1.09 -0.68 -0.50 -0.62 0.00 0.00 178.44 177.73 1iuf h TRP 112 N -0.08 0.00 0.20 1.25 6.55 -1.34 -3.05 115.95 119.47 1iuf h TRP 112 Ca -0.04 0.00 -0.35 0.00 0.95 0.00 0.00 58.89 59.45 1iuf h TRP 112 Cb 1.10 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 29.42 1iuf h TRP 112 CO 0.13 0.00 -1.73 1.25 -1.05 0.00 0.00 178.44 177.04 1iuf h HIS 113 N 0.00 0.75 0.00 0.49 2.76 -1.64 -3.36 115.15 114.15 1iuf h HIS 113 Ca 0.00 -0.55 0.00 0.00 -2.20 0.00 0.00 60.37 57.62 1iuf h HIS 113 Cb 0.79 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.72 1iuf h HIS 113 CO 0.00 1.67 -0.46 0.87 -1.30 0.00 0.00 177.93 178.71 1iuf h LYS 114 N 0.11 0.00 -1.99 5.26 1.57 -1.59 -3.43 116.57 116.50 1iuf h LYS 114 Ca -0.34 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.14 1iuf h LYS 114 Cb 2.11 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 34.11 1iuf h LYS 114 CO 0.19 0.00 -0.62 -1.50 -0.57 0.00 0.00 179.45 176.95 1iuf s ILE 115 N -3.26 -0.45 -0.41 1.86 -1.16 -1.15 -5.01 121.20 111.61 1iuf s ILE 115 Ca 0.04 -0.53 0.12 0.00 -0.51 0.00 0.00 60.65 59.77 1iuf s ILE 115 Cb 0.08 -0.92 0.68 0.00 0.61 0.00 0.00 42.46 42.91 1iuf s ILE 115 CO 0.72 -0.44 1.53 -0.81 -2.81 0.00 0.00 174.94 173.13 1iuf n PRO 116 N 5.11 4.20 -0.02 3.50 -0.04 -1.26 -4.18 135.00 142.32 1iuf n PRO 116 Ca 0.01 -2.60 0.03 0.00 -0.04 0.00 0.00 63.50 60.90 1iuf n PRO 116 Cb 0.47 -2.12 -0.09 0.00 -0.04 0.00 0.00 33.50 31.71 1iuf n PRO 116 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1iuf n GLU 117 N 0.53 0.87 -0.25 0.54 -0.58 -1.26 -2.97 120.64 117.53 1iuf n GLU 117 Ca 0.23 -0.08 -0.04 0.00 -0.42 0.00 0.00 57.16 56.84 1iuf n GLU 117 Cb 1.03 -1.30 0.06 0.00 -0.57 0.00 0.00 31.44 30.67 1iuf n GLU 117 CO 0.00 0.00 0.00 0.10 -0.48 0.00 0.00 177.13 176.75 1iuf h TYR 118 N 0.00 0.85 0.00 -0.32 -0.00 -1.96 -3.38 116.97 112.15 1iuf h TYR 118 Ca -0.09 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.66 1iuf h TYR 118 Cb 0.89 -0.28 0.00 0.00 0.00 0.00 0.00 36.73 37.34 1iuf h TYR 118 CO 0.00 0.51 -0.64 0.94 -0.00 0.00 0.00 178.16 178.97 1iuf n GLN 119 N -4.63 0.26 -2.06 0.10 -0.06 -1.26 -5.07 117.38 104.65 1iuf n GLN 119 Ca 0.07 0.00 -0.00 0.00 -2.00 0.00 0.00 57.00 55.06 1iuf n GLN 119 Cb 0.05 -0.82 0.00 0.00 -4.06 0.00 0.00 30.24 25.41 1iuf n GLN 119 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1iuf n ASP 120 N -2.07 -2.01 -3.29 1.69 -0.08 -1.16 -5.06 116.55 104.58 1iuf n ASP 120 Ca 0.00 -0.02 -0.20 0.00 -1.51 0.00 0.00 54.79 53.07 1iuf n ASP 120 Cb 0.32 -0.62 -0.08 0.00 2.34 0.00 0.00 41.12 43.09 1iuf n ASP 120 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1iuf s GLN 121 N -4.09 0.79 -0.80 -0.67 -0.21 -1.26 -5.05 119.66 108.37 1iuf s GLN 121 Ca 0.00 -1.37 -0.26 0.00 0.02 0.00 0.00 55.36 53.76 1iuf s GLN 121 Cb -0.00 -0.91 -0.12 0.00 1.00 0.00 0.00 33.01 32.98 1iuf s GLN 121 CO 0.02 -1.28 2.31 -1.25 -2.12 0.00 0.00 175.29 172.97 1iuf s PRO 122 N 0.84 1.81 0.81 2.91 0.04 -1.26 -4.94 135.00 135.22 1iuf s PRO 122 Ca 0.24 0.37 -0.13 0.00 0.04 0.00 0.00 61.00 61.53 1iuf s PRO 122 Cb -0.07 -4.83 0.09 0.00 0.04 0.00 0.00 34.50 29.73 1iuf s PRO 122 CO -0.08 -4.18 1.20 0.14 0.04 0.00 0.00 177.00 174.11 1iuf s VAL 123 N 13.72 2.10 0.00 -0.36 -7.23 -1.26 -5.02 120.40 122.36 1iuf s VAL 123 Ca 0.88 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 61.09 1iuf s VAL 123 Cb -0.12 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1iuf s VAL 123 CO 0.07 -0.03 0.00 -0.81 -0.31 0.00 0.00 175.10 174.02 1iuf n PRO 124 N -3.36 0.00 -2.62 4.82 -0.05 -1.26 -4.95 135.00 127.58 1iuf n PRO 124 Ca 0.13 0.18 -0.03 0.00 -0.05 0.00 0.00 63.50 63.73 1iuf n PRO 124 Cb 0.51 -0.59 0.12 0.00 -0.05 0.00 0.00 33.50 33.48 1iuf n PRO 124 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 1iuf n ASN 125 N -1.71 -1.51 -4.61 3.54 6.94 -1.26 -5.05 115.26 111.60 1iuf n ASN 125 Ca 0.00 -2.21 -0.32 0.00 -0.02 0.00 0.00 54.58 52.03 1iuf n ASN 125 Cb 0.00 0.76 0.14 0.00 -2.36 0.00 0.00 39.78 38.32 1iuf n ASN 125 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 1iuf n PHE 126 N -1.19 0.39 -0.97 -2.53 -1.74 -1.26 -5.02 117.46 105.14 1iuf n PHE 126 Ca -0.13 0.36 -0.09 0.00 -0.56 0.00 0.00 57.45 57.03 1iuf n PHE 126 Cb 0.85 -1.98 0.07 0.00 1.52 0.00 0.00 39.48 39.94 1iuf n PHE 126 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1iuf n SER 127 N -3.14 -0.67 -0.00 5.98 7.64 -1.26 -4.89 113.62 117.28 1iuf n SER 127 Ca 0.11 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1iuf n SER 127 Cb 0.52 -0.32 -0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1iuf n SER 127 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1iuf n ASN 128 N -3.43 0.11 -0.22 6.43 5.03 -1.26 -4.72 115.26 117.21 1iuf n ASN 128 Ca 0.05 -0.55 0.19 0.00 0.87 0.00 0.00 54.58 55.13 1iuf n ASN 128 Cb 0.18 0.92 0.53 0.00 -1.02 0.00 0.00 39.78 40.39 1iuf n ASN 128 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1iuf h GLY 129 N 0.14 0.76 1.00 7.41 0.00 -1.95 0.12 103.07 110.55 1iuf h GLY 129 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.19 1iuf h GLY 129 CO 0.00 0.01 0.59 0.11 0.00 0.00 0.00 176.54 177.25 1iuf h TRP 130 N 0.37 1.10 0.64 5.60 5.08 -1.96 0.68 115.95 127.45 1iuf h TRP 130 Ca 0.44 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 60.41 1iuf h TRP 130 Cb 1.13 -0.37 0.01 0.00 -3.00 0.00 0.00 29.16 26.93 1iuf h TRP 130 CO -0.00 0.64 -0.31 1.25 -1.28 0.00 0.00 178.44 178.74 1iuf h LEU 131 N 1.13 -0.72 -1.29 0.11 6.46 -1.13 -2.80 115.31 117.08 1iuf h LEU 131 Ca 0.36 0.00 0.26 0.00 -0.12 0.00 0.00 57.88 58.38 1iuf h LEU 131 Cb 0.01 0.19 -0.10 0.00 -0.73 0.00 0.00 40.66 40.03 1iuf h LEU 131 CO -0.11 -0.34 0.66 -0.33 -0.62 0.00 0.00 178.44 177.70 1iuf h GLU 132 N -1.18 0.42 -0.13 1.25 5.08 -1.03 0.47 114.58 119.46 1iuf h GLU 132 Ca -0.09 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1iuf h GLU 132 Cb 0.68 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1iuf h GLU 132 CO 0.14 0.28 -0.09 0.78 -1.00 0.00 0.00 179.01 179.12 1iuf h GLY 133 N 0.43 0.02 0.85 -3.84 0.00 0.53 0.32 103.07 101.38 1iuf h GLY 133 Ca 0.61 0.11 -0.18 0.00 0.00 0.00 0.00 47.33 47.87 1iuf h GLY 133 CO -0.33 -0.11 -0.72 0.27 0.00 0.00 0.00 176.54 175.65 1iuf h PHE 134 N -0.10 0.68 -0.32 5.60 -5.15 -0.67 0.76 116.94 117.74 1iuf h PHE 134 Ca 0.08 -0.39 0.09 0.00 -0.20 0.00 0.00 57.97 57.56 1iuf h PHE 134 Cb 0.22 -0.07 -0.01 0.00 0.22 0.00 0.00 35.95 36.30 1iuf h PHE 134 CO -0.22 1.22 0.29 -0.09 -2.00 0.00 0.00 178.31 177.51 1iuf h ARG 135 N -0.05 0.00 0.04 6.09 1.12 0.01 0.78 114.38 122.36 1iuf h ARG 135 Ca -0.10 0.00 -0.35 0.00 -1.11 0.00 0.00 59.98 58.42 1iuf h ARG 135 Cb 1.44 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 31.35 1iuf h ARG 135 CO 0.14 0.00 -2.11 1.63 -3.11 0.00 0.00 179.97 176.53 1iuf n LYS 136 N -4.03 0.69 -0.49 0.20 5.02 0.11 -1.70 118.16 117.96 1iuf n LYS 136 Ca 0.05 0.19 0.05 0.00 -2.02 0.00 0.00 58.31 56.58 1iuf n LYS 136 Cb 0.45 -1.65 0.25 0.00 -0.02 0.00 0.00 35.03 34.05 1iuf n LYS 136 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1iuf n ARG 137 N -3.15 3.12 0.00 1.97 1.74 0.25 -3.95 116.66 116.64 1iuf n ARG 137 Ca -0.31 -1.92 0.00 0.00 -0.77 0.00 0.00 57.85 54.85 1iuf n ARG 137 Cb 1.06 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1iuf n ARG 137 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1iuf n HIS 138 N 0.52 -1.47 0.74 -1.55 8.25 0.26 -4.92 115.22 117.05 1iuf n HIS 138 Ca 0.17 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.70 1iuf n HIS 138 Cb 0.73 0.29 0.18 0.00 1.12 0.00 0.00 29.99 32.32 1iuf n HIS 138 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1iuf n ILE 139 N -2.09 0.53 -3.84 1.59 2.08 -0.72 -5.00 119.36 111.91 1iuf n ILE 139 Ca 0.00 -0.53 0.00 0.00 0.56 0.00 0.00 62.75 62.78 1iuf n ILE 139 Cb 0.00 0.27 0.00 0.00 -0.75 0.00 0.00 39.64 39.16 1iuf n ILE 139 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1iuf n LEU 140 N 0.67 0.00 0.00 1.39 7.99 -0.69 -4.87 117.00 121.49 1iuf n LEU 140 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 1iuf n LEU 140 Cb 0.34 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.65 1iuf n LEU 140 CO 0.09 -0.78 0.23 1.57 -1.51 0.00 0.00 177.39 176.99