#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugo n SER 2 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.88 113.62 116.73 1ugo n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ugo n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ugo n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ugo n SER 3 N 2.27 0.00 -3.16 6.43 2.88 -1.26 -4.91 113.62 115.87 1ugo n SER 3 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1ugo n SER 3 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1ugo n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugo n GLY 4 N -2.29 2.23 3.72 0.46 0.00 -1.26 -5.11 105.19 102.94 1ugo n GLY 4 Ca 0.00 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 1ugo n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugo s SER 5 N -0.90 7.28 -0.30 1.61 0.15 -1.26 -5.00 113.70 115.28 1ugo s SER 5 Ca 0.34 1.92 -0.19 0.00 0.70 0.00 0.00 55.95 58.72 1ugo s SER 5 Cb 0.14 -2.59 0.20 0.00 -1.71 0.00 0.00 66.02 62.06 1ugo s SER 5 CO -0.14 -0.26 1.29 -0.55 1.20 0.00 0.00 173.24 174.78 1ugo s SER 6 N 0.44 -0.06 0.00 5.45 0.15 -1.26 -5.18 113.70 113.25 1ugo s SER 6 Ca 0.52 0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1ugo s SER 6 Cb -0.26 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 1ugo s SER 6 CO 0.31 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1ugo n GLY 7 N 4.32 2.75 3.02 9.45 0.00 -1.26 -5.17 105.19 118.31 1ugo n GLY 7 Ca -0.08 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1ugo n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ugo s MET 8 N -2.00 0.43 -0.25 1.61 -1.94 -1.26 -5.13 119.30 110.76 1ugo s MET 8 Ca 0.00 -0.82 -0.14 0.00 -1.71 0.00 0.00 55.69 53.01 1ugo s MET 8 Cb 0.00 0.10 -0.04 0.00 2.01 0.00 0.00 34.83 36.90 1ugo s MET 8 CO 0.00 -0.06 0.34 -0.51 -0.01 0.00 0.00 175.02 174.79 1ugo s ASP 9 N -1.95 6.27 0.40 3.03 1.11 -1.26 -5.07 116.67 119.20 1ugo s ASP 9 Ca -0.08 0.31 0.05 0.00 0.18 0.00 0.00 52.55 53.01 1ugo s ASP 9 Cb -0.04 -2.20 -0.00 0.00 1.07 0.00 0.00 42.92 41.75 1ugo s ASP 9 CO -0.04 -0.12 0.57 0.00 1.18 0.00 0.00 175.17 176.76 1ugo s MET 10 N 1.74 3.01 6.95 8.23 0.23 -1.26 -4.90 119.30 133.30 1ugo s MET 10 Ca 0.15 -0.88 0.00 0.00 -1.03 0.00 0.00 55.69 53.92 1ugo s MET 10 Cb -0.15 -2.71 0.00 0.00 -1.53 0.00 0.00 34.83 30.44 1ugo s MET 10 CO 0.09 -0.15 0.00 0.41 -2.03 0.00 0.00 175.02 173.34 1ugo n GLY 11 N -1.85 1.87 3.74 3.16 0.00 -1.26 -4.68 105.19 106.16 1ugo n GLY 11 Ca 0.02 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1ugo n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ugo s ASN 12 N -4.00 7.41 -0.88 1.61 0.01 -1.26 -4.99 114.94 112.84 1ugo s ASN 12 Ca 0.00 1.68 -0.20 0.00 -0.71 0.00 0.00 52.86 53.63 1ugo s ASN 12 Cb 0.00 -2.55 0.11 0.00 0.41 0.00 0.00 41.25 39.22 1ugo s ASN 12 CO 0.00 -0.03 1.12 -1.58 -1.51 0.00 0.00 177.10 175.10 1ugo s GLN 13 N -0.07 3.50 0.31 -0.60 0.74 -1.26 -5.00 119.66 117.28 1ugo s GLN 13 Ca 0.44 -1.52 -0.23 0.00 0.05 0.00 0.00 55.36 54.09 1ugo s GLN 13 Cb -0.22 -4.82 -0.16 0.00 1.10 0.00 0.00 33.01 28.91 1ugo s GLN 13 CO 0.28 -1.82 0.26 1.58 -0.55 0.00 0.00 175.29 175.04 1ugo n HIS 14 N 6.98 -1.37 0.25 1.67 -0.00 -1.26 -4.76 115.22 116.72 1ugo n HIS 14 Ca 0.19 0.75 0.14 0.00 -0.00 0.00 0.00 57.72 58.80 1ugo n HIS 14 Cb 0.48 -1.80 0.42 0.00 -0.00 0.00 0.00 29.99 29.10 1ugo n HIS 14 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ugo h PRO 15 N 0.59 0.00 0.16 1.57 0.13 -1.98 -1.90 132.00 130.57 1ugo h PRO 15 Ca -0.32 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.51 1ugo h PRO 15 Cb 1.40 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.54 1ugo h PRO 15 CO 0.50 0.02 -1.49 1.03 -0.23 0.00 0.00 178.00 177.83 1ugo h SER 16 N 0.00 0.52 -0.49 1.44 0.87 -1.92 -3.18 113.55 110.80 1ugo h SER 16 Ca -0.00 -0.90 -0.06 0.00 -1.23 0.00 0.00 61.79 59.60 1ugo h SER 16 Cb 0.77 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1ugo h SER 16 CO 0.00 1.67 0.08 0.40 -0.53 0.00 0.00 176.83 178.45 1ugo h ILE 17 N -0.12 1.25 0.00 2.23 1.08 -1.90 -1.11 117.51 118.94 1ugo h ILE 17 Ca -0.30 -0.92 -0.00 0.00 -0.39 0.00 0.00 64.86 63.25 1ugo h ILE 17 Cb 1.91 0.90 -0.00 0.00 -3.07 0.00 0.00 36.82 36.56 1ugo h ILE 17 CO 0.13 0.33 -0.00 -1.28 -0.69 0.00 0.00 178.15 176.64 1ugo h SER 18 N 0.68 0.00 0.14 1.72 0.87 -1.47 -0.66 113.55 114.83 1ugo h SER 18 Ca 0.15 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.45 1ugo h SER 18 Cb 0.39 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1ugo h SER 18 CO 0.01 0.00 -1.26 -0.09 -0.53 0.00 0.00 176.83 174.97 1ugo h ARG 19 N 0.00 0.30 -0.65 2.24 9.65 -1.26 -3.29 114.38 121.36 1ugo h ARG 19 Ca -0.00 -0.51 -0.02 0.00 -1.10 0.00 0.00 59.98 58.35 1ugo h ARG 19 Cb 0.12 0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 1ugo h ARG 19 CO 0.00 1.24 0.33 -0.07 2.80 0.00 0.00 179.97 184.27 1ugo h LEU 20 N -0.26 0.84 -2.14 3.80 4.07 -0.45 -0.64 115.31 120.53 1ugo h LEU 20 Ca -0.25 -0.12 0.07 0.00 0.08 0.00 0.00 57.88 57.66 1ugo h LEU 20 Cb 1.78 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 43.30 1ugo h LEU 20 CO 0.11 0.72 0.28 1.56 -1.08 0.00 0.00 178.44 180.03 1ugo h GLN 21 N 0.89 0.00 0.00 1.13 4.20 -1.27 1.69 115.11 121.75 1ugo h GLN 21 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1ugo h GLN 21 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1ugo h GLN 21 CO -0.03 0.00 -1.09 0.39 -0.67 0.00 0.00 178.83 177.43 1ugo n GLU 22 N -3.75 0.40 -0.06 1.46 1.02 -0.39 -3.35 120.64 115.97 1ugo n GLU 22 Ca 0.03 0.01 -0.22 0.00 -0.02 0.00 0.00 57.16 56.97 1ugo n GLU 22 Cb 0.42 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 30.07 1ugo n GLU 22 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1ugo n ILE 23 N -2.17 1.65 0.13 -3.67 5.41 0.22 -3.94 119.36 117.01 1ugo n ILE 23 Ca 0.01 -0.44 -0.05 0.00 1.00 0.00 0.00 62.75 63.27 1ugo n ILE 23 Cb 0.48 -1.80 -0.03 0.00 -0.71 0.00 0.00 39.64 37.58 1ugo n ILE 23 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1ugo h GLN 24 N -0.34 -0.33 -1.59 0.38 4.20 0.20 -1.77 115.11 115.85 1ugo h GLN 24 Ca -0.45 0.02 0.51 0.00 0.06 0.00 0.00 58.65 58.79 1ugo h GLN 24 Cb 1.77 0.08 -0.11 0.00 0.30 0.00 0.00 27.48 29.51 1ugo h GLN 24 CO -0.07 -0.22 1.08 2.89 -0.67 0.00 0.00 178.83 181.84 1ugo n ARG 25 N -3.02 -0.02 0.00 1.46 1.85 -1.21 0.79 116.66 116.50 1ugo n ARG 25 Ca -0.04 1.16 0.00 0.00 -1.00 0.00 0.00 57.85 57.97 1ugo n ARG 25 Cb 0.14 -2.44 0.00 0.00 -1.05 0.00 0.00 32.46 29.11 1ugo n ARG 25 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1ugo n GLU 26 N -4.36 0.00 -0.36 2.89 -0.58 -1.05 0.18 120.64 117.36 1ugo n GLU 26 Ca 0.41 0.28 0.32 0.00 -0.42 0.00 0.00 57.16 57.75 1ugo n GLU 26 Cb 1.72 -1.08 0.66 0.00 -0.57 0.00 0.00 31.44 32.16 1ugo n GLU 26 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1ugo h VAL 27 N 0.00 0.39 -0.00 2.62 -1.51 -0.26 1.35 116.25 118.84 1ugo h VAL 27 Ca 0.00 -0.05 -0.26 0.00 -1.23 0.00 0.00 66.70 65.16 1ugo h VAL 27 Cb 0.00 0.24 0.02 0.00 -2.13 0.00 0.00 31.29 29.41 1ugo h VAL 27 CO 0.00 0.03 -1.02 0.11 -1.23 0.00 0.00 177.57 175.46 1ugo h LYS 28 N 0.14 0.63 0.00 5.19 1.79 0.38 0.22 116.57 124.92 1ugo h LYS 28 Ca 0.62 -0.68 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1ugo h LYS 28 Cb 2.12 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 32.96 1ugo h LYS 28 CO -0.15 1.27 0.00 0.00 -1.08 0.00 0.00 179.45 179.49 1ugo n ALA 29 N -2.62 1.78 -0.06 3.86 0.00 0.48 -1.30 120.51 122.65 1ugo n ALA 29 Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ugo n ALA 29 Cb 0.87 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1ugo n ALA 29 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1ugo n ILE 30 N -1.33 0.00 -0.09 0.00 -6.64 0.20 -4.70 119.36 106.80 1ugo n ILE 30 Ca 0.06 -0.46 -0.06 0.00 -1.77 0.00 0.00 62.75 60.51 1ugo n ILE 30 Cb 0.12 1.06 0.00 0.00 -1.44 0.00 0.00 39.64 39.39 1ugo n ILE 30 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 1ugo h GLU 31 N 0.00 0.13 0.00 6.28 4.81 0.79 0.79 114.58 127.38 1ugo h GLU 31 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ugo h GLU 31 Cb 0.03 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ugo h GLU 31 CO 0.00 0.09 0.00 -0.35 -0.73 0.00 0.00 179.01 178.02 1ugo n PRO 32 N -5.12 0.07 0.19 0.92 -0.04 -1.26 -1.84 135.00 127.92 1ugo n PRO 32 Ca 0.00 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 1ugo n PRO 32 Cb 0.15 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.22 1ugo n PRO 32 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ugo h GLN 33 N 0.00 0.00 0.00 0.54 4.20 -1.14 -1.76 115.11 116.96 1ugo h GLN 33 Ca 0.00 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.30 1ugo h GLN 33 Cb 0.34 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.05 1ugo h GLN 33 CO 0.00 0.18 -2.50 1.33 -0.67 0.00 0.00 178.83 177.17 1ugo n VAL 34 N -3.13 1.50 -0.03 -0.54 0.24 -0.94 -3.41 118.33 112.01 1ugo n VAL 34 Ca 0.03 -0.51 -0.01 0.00 -2.04 0.00 0.00 64.34 61.80 1ugo n VAL 34 Cb 0.61 -1.56 0.26 0.00 -1.47 0.00 0.00 33.84 31.68 1ugo n VAL 34 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1ugo h VAL 35 N -0.30 1.21 -0.57 3.34 2.07 -1.48 -1.32 116.25 119.20 1ugo h VAL 35 Ca -0.62 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1ugo h VAL 35 Cb 1.81 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1ugo h VAL 35 CO -0.19 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.30 1ugo n GLY 36 N -0.82 1.94 3.68 2.17 0.00 -0.66 -4.96 105.19 106.54 1ugo n GLY 36 Ca 0.02 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1ugo n GLY 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ugo s PHE 37 N -1.43 2.07 -0.42 1.61 5.36 -0.50 -4.98 117.98 119.69 1ugo s PHE 37 Ca 0.40 1.36 0.06 0.00 -0.96 0.00 0.00 56.93 57.80 1ugo s PHE 37 Cb 0.23 -3.17 0.18 0.00 -0.34 0.00 0.00 43.02 39.92 1ugo s PHE 37 CO 0.24 -2.64 0.69 -1.12 -1.46 0.00 0.00 175.22 170.94 1ugo s SER 38 N -3.15 -1.40 0.00 6.13 0.01 -1.26 -4.80 113.70 109.23 1ugo s SER 38 Ca 0.65 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1ugo s SER 38 Cb -0.20 1.80 0.00 0.00 0.21 0.00 0.00 66.02 67.83 1ugo s SER 38 CO 0.58 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.71 1ugo n GLY 39 N 4.02 2.91 2.14 3.44 0.00 -1.22 -5.09 105.19 111.39 1ugo n GLY 39 Ca 0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 1ugo n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ugo n LEU 40 N 0.00 0.00 -4.74 0.99 4.77 -1.26 -3.79 117.00 112.97 1ugo n LEU 40 Ca 0.00 -2.06 -0.37 0.00 -0.03 0.00 0.00 56.01 53.55 1ugo n LEU 40 Cb 0.00 0.92 -0.06 0.00 -2.33 0.00 0.00 43.42 41.94 1ugo n LEU 40 CO 0.00 -0.33 0.08 -0.94 -1.33 0.00 0.00 177.39 174.87 1ugo s SER 41 N -2.57 6.59 -0.66 -1.43 1.04 -1.26 -4.40 113.70 111.01 1ugo s SER 41 Ca 0.21 0.70 -0.01 0.00 0.48 0.00 0.00 55.95 57.33 1ugo s SER 41 Cb 0.01 -2.24 -0.02 0.00 0.10 0.00 0.00 66.02 63.88 1ugo s SER 41 CO 0.15 0.08 0.61 0.47 0.98 0.00 0.00 173.24 175.53 1ugo n ASP 42 N 3.40 -6.35 -1.70 7.02 9.92 -1.26 -5.05 116.55 122.53 1ugo n ASP 42 Ca -0.10 -0.21 -0.05 0.00 -0.53 0.00 0.00 54.79 53.91 1ugo n ASP 42 Cb 0.52 -4.38 -0.02 0.00 -0.64 0.00 0.00 41.12 36.60 1ugo n ASP 42 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ugo n ASP 43 N -1.99 0.33 -3.55 -2.24 9.92 -1.26 -5.01 116.55 112.74 1ugo n ASP 43 Ca -0.02 -1.48 -0.41 0.00 -0.53 0.00 0.00 54.79 52.36 1ugo n ASP 43 Cb 0.53 0.31 -0.01 0.00 -0.64 0.00 0.00 41.12 41.31 1ugo n ASP 43 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1ugo n LYS 44 N -0.16 3.78 0.00 -1.24 5.02 -1.26 -3.48 118.16 120.82 1ugo n LYS 44 Ca 0.00 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.38 1ugo n LYS 44 Cb 0.13 -2.87 0.00 0.00 -0.02 0.00 0.00 35.03 32.27 1ugo n LYS 44 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ugo n ASN 45 N 3.59 0.00 0.04 4.39 3.02 -1.26 -4.95 115.26 120.10 1ugo n ASN 45 Ca 0.61 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 55.25 1ugo n ASN 45 Cb 0.29 0.00 0.53 0.00 -0.61 0.00 0.00 39.78 39.99 1ugo n ASN 45 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1ugo h TYR 46 N 0.00 0.31 0.79 3.10 5.03 -1.81 -2.62 116.97 121.77 1ugo h TYR 46 Ca 0.00 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.28 1ugo h TYR 46 Cb 0.00 -0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.18 1ugo h TYR 46 CO 0.00 0.17 -0.46 0.87 -1.32 0.00 0.00 178.16 177.43 1ugo h LYS 47 N 0.31 -1.12 -0.05 1.82 1.79 -1.92 -0.88 116.57 116.52 1ugo h LYS 47 Ca 0.16 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1ugo h LYS 47 Cb 0.24 0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 1ugo h LYS 47 CO -0.03 -0.75 -0.03 -0.09 -1.08 0.00 0.00 179.45 177.47 1ugo h ARG 48 N -1.16 -0.01 -0.84 3.15 9.65 -1.78 1.51 114.38 124.89 1ugo h ARG 48 Ca -0.11 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.85 1ugo h ARG 48 Cb 0.92 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.39 1ugo h ARG 48 CO 0.13 -0.00 -0.55 -0.07 2.80 0.00 0.00 179.97 182.28 1ugo h LEU 49 N -0.01 -1.99 -0.59 3.80 3.38 -1.54 0.52 115.31 118.89 1ugo h LEU 49 Ca 0.01 0.30 0.12 0.00 0.09 0.00 0.00 57.88 58.39 1ugo h LEU 49 Cb 0.03 0.87 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 1ugo h LEU 49 CO -0.05 -0.24 0.01 -0.08 0.09 0.00 0.00 178.44 178.17 1ugo h GLU 50 N -0.07 0.12 -0.41 1.13 4.81 0.20 -1.02 114.58 119.35 1ugo h GLU 50 Ca 0.14 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 1ugo h GLU 50 Cb 0.42 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.68 1ugo h GLU 50 CO -0.83 0.08 -0.29 0.00 -0.73 0.00 0.00 179.01 177.25 1ugo h ARG 51 N 0.13 -0.21 -0.20 1.92 3.08 0.70 0.14 114.38 119.94 1ugo h ARG 51 Ca 0.30 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.39 1ugo h ARG 51 Cb 0.48 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1ugo h ARG 51 CO -0.49 -0.14 -0.17 0.82 -1.07 0.00 0.00 179.97 178.93 1ugo h ILE 52 N -0.21 0.00 -0.14 2.04 2.04 0.42 1.85 117.51 123.51 1ugo h ILE 52 Ca 0.19 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.07 1ugo h ILE 52 Cb 0.51 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 1ugo h ILE 52 CO -0.53 0.00 -0.41 -0.07 0.00 0.00 0.00 178.15 177.14 1ugo h LEU 53 N -0.06 -1.30 -0.69 1.44 -0.00 -1.21 0.70 115.31 114.18 1ugo h LEU 53 Ca 0.03 0.16 0.11 0.00 -0.00 0.00 0.00 57.88 58.18 1ugo h LEU 53 Cb 0.15 0.51 -0.12 0.00 -0.00 0.00 0.00 40.66 41.20 1ugo h LEU 53 CO -0.22 -0.35 -0.37 0.00 -0.00 0.00 0.00 178.44 177.50 1ugo h THR 54 N -0.40 0.11 0.18 0.22 1.03 0.08 1.68 112.91 115.81 1ugo h THR 54 Ca 0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.42 1ugo h THR 54 Cb 0.49 0.11 -0.01 0.00 -1.07 0.00 0.00 68.15 67.67 1ugo h THR 54 CO -0.35 0.00 -0.18 0.11 -0.01 0.00 0.00 175.52 175.09 1ugo h LYS 55 N -0.14 -0.35 -0.74 0.00 6.56 0.39 -0.42 116.57 121.88 1ugo h LYS 55 Ca 0.25 0.02 0.16 0.00 -1.06 0.00 0.00 60.65 60.02 1ugo h LYS 55 Cb 0.56 0.08 -0.13 0.00 -0.57 0.00 0.00 32.23 32.17 1ugo h LYS 55 CO -0.76 -0.23 -0.04 1.96 -2.06 0.00 0.00 179.45 178.32 1ugo h GLN 56 N -0.36 0.07 -0.57 3.15 1.08 0.11 0.28 115.11 118.87 1ugo h GLN 56 Ca -0.02 -0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.29 1ugo h GLN 56 Cb 0.31 -0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 27.62 1ugo h GLN 56 CO -0.02 0.05 -0.15 1.25 -0.95 0.00 0.00 178.83 179.01 1ugo h LEU 57 N 0.07 -0.54 -2.12 1.46 7.12 0.29 1.06 115.31 122.64 1ugo h LEU 57 Ca 0.39 0.17 0.08 0.00 0.13 0.00 0.00 57.88 58.65 1ugo h LEU 57 Cb 0.67 0.36 -0.01 0.00 -0.53 0.00 0.00 40.66 41.15 1ugo h LEU 57 CO -0.68 -0.19 0.31 0.15 -0.13 0.00 0.00 178.44 177.90 1ugo h PHE 58 N -0.00 0.00 0.03 1.25 3.04 0.13 0.33 116.94 121.71 1ugo h PHE 58 Ca 0.27 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.97 1ugo h PHE 58 Cb 0.42 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.90 1ugo h PHE 58 CO -0.48 0.00 -1.29 0.93 -2.02 0.00 0.00 178.31 175.46 1ugo h GLU 59 N 0.00 0.07 -0.44 1.11 4.39 0.15 -3.06 114.58 116.80 1ugo h GLU 59 Ca 0.12 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1ugo h GLU 59 Cb 0.74 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1ugo h GLU 59 CO -0.00 0.92 0.18 0.82 -1.16 0.00 0.00 179.01 179.76 1ugo h ILE 60 N 0.02 1.20 0.00 3.13 2.04 0.16 -0.59 117.51 123.47 1ugo h ILE 60 Ca -0.13 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 1ugo h ILE 60 Cb 1.89 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1ugo h ILE 60 CO 0.13 0.22 -0.23 -0.78 0.00 0.00 0.00 178.15 177.49 1ugo h ASP 61 N 0.56 0.00 -0.10 1.72 3.58 -1.47 -2.37 116.42 118.35 1ugo h ASP 61 Ca 0.15 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.43 1ugo h ASP 61 Cb 0.18 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 1ugo h ASP 61 CO -0.01 0.23 -0.55 0.28 -2.88 0.00 0.00 179.24 176.31 1ugo h SER 62 N 0.00 0.77 -1.77 2.28 0.02 -1.18 -3.44 113.55 110.23 1ugo h SER 62 Ca -0.00 -0.41 -0.68 0.00 -0.84 0.00 0.00 61.79 59.86 1ugo h SER 62 Cb 0.55 -0.22 0.04 0.00 0.14 0.00 0.00 62.40 62.91 1ugo h SER 62 CO 0.03 1.16 0.73 0.52 -1.14 0.00 0.00 176.83 178.13 1ugo n VAL 63 N -3.98 0.17 -3.02 2.27 0.31 -0.33 -4.88 118.33 108.87 1ugo n VAL 63 Ca -0.04 -0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 63.84 1ugo n VAL 63 Cb 0.61 -1.19 -0.06 0.00 -0.91 0.00 0.00 33.84 32.30 1ugo n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ugo s ASP 64 N 1.97 6.41 -0.12 4.52 2.15 -1.26 -4.91 116.67 125.42 1ugo s ASP 64 Ca 0.89 -0.06 -0.26 0.00 0.43 0.00 0.00 52.55 53.55 1ugo s ASP 64 Cb -0.92 -2.36 -0.27 0.00 -0.30 0.00 0.00 42.92 39.08 1ugo s ASP 64 CO 0.52 -0.80 0.74 0.71 -0.17 0.00 0.00 175.17 176.17 1ugo h THR 65 N 5.87 1.62 -3.21 1.71 1.35 -1.95 -3.48 112.91 114.83 1ugo h THR 65 Ca -0.25 -2.38 -0.35 0.00 -0.55 0.00 0.00 66.41 62.88 1ugo h THR 65 Cb 1.09 3.22 0.02 0.00 -1.73 0.00 0.00 68.15 70.75 1ugo h THR 65 CO 0.91 0.61 -0.49 -0.62 -0.25 0.00 0.00 175.52 175.69 1ugo n GLU 66 N -4.45 -2.83 -3.67 4.72 1.02 -1.26 -3.07 120.64 111.10 1ugo n GLU 66 Ca -0.14 0.82 -0.28 0.00 -0.02 0.00 0.00 57.16 57.54 1ugo n GLU 66 Cb 0.60 -5.35 0.03 0.00 -0.02 0.00 0.00 31.44 26.70 1ugo n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ugo n GLY 67 N -1.22 -1.07 0.00 0.62 0.00 -1.26 -4.89 105.19 97.37 1ugo n GLY 67 Ca -0.15 0.47 0.04 0.00 0.00 0.00 0.00 46.02 46.38 1ugo n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ugo n LYS 68 N -3.71 3.65 0.00 1.61 5.02 -1.17 -5.01 118.16 118.54 1ugo n LYS 68 Ca -0.12 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1ugo n LYS 68 Cb 0.59 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.67 1ugo n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ugo n GLY 69 N 1.34 1.16 0.37 0.72 0.00 -1.26 -4.48 105.19 103.05 1ugo n GLY 69 Ca 0.01 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1ugo n GLY 69 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ugo n ASP 70 N 2.78 -0.53 -0.02 1.61 8.00 -1.26 0.21 116.55 127.34 1ugo n ASP 70 Ca 0.00 1.73 -0.09 0.00 0.71 0.00 0.00 54.79 57.14 1ugo n ASP 70 Cb 0.00 -0.45 -0.08 0.00 -0.02 0.00 0.00 41.12 40.58 1ugo n ASP 70 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ugo h ILE 71 N 0.00 0.98 -0.89 0.53 2.04 -1.90 -3.19 117.51 115.09 1ugo h ILE 71 Ca 0.40 -1.55 0.15 0.00 1.00 0.00 0.00 64.86 64.86 1ugo h ILE 71 Cb 0.65 1.79 -0.15 0.00 -0.74 0.00 0.00 36.82 38.37 1ugo h ILE 71 CO -1.01 0.31 -0.35 -0.61 0.00 0.00 0.00 178.15 176.49 1ugo h GLN 72 N -0.94 -0.04 -0.87 2.37 -0.00 -1.49 1.51 115.11 115.65 1ugo h GLN 72 Ca -0.01 0.00 0.16 0.00 -0.00 0.00 0.00 58.65 58.80 1ugo h GLN 72 Cb 0.56 0.01 -0.10 0.00 0.00 0.00 0.00 27.48 27.95 1ugo h GLN 72 CO 0.01 -0.03 0.46 1.96 0.00 0.00 0.00 178.83 181.23 1ugo h GLN 73 N -0.04 0.61 0.35 1.69 1.08 0.24 1.33 115.11 120.37 1ugo h GLN 73 Ca 0.33 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.48 1ugo h GLN 73 Cb 0.60 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1ugo h GLN 73 CO -0.91 0.40 -0.17 0.00 -0.95 0.00 0.00 178.83 177.21 1ugo h ALA 74 N 1.58 -0.48 -0.44 3.87 0.00 0.11 -1.20 119.26 122.69 1ugo h ALA 74 Ca 0.48 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.38 1ugo h ALA 74 Cb 0.71 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.58 1ugo h ALA 74 CO -0.38 -0.45 -0.30 -0.09 0.00 0.00 0.00 179.25 178.04 1ugo h ARG 75 N -1.08 -0.20 0.00 0.00 2.43 0.20 1.46 114.38 117.19 1ugo h ARG 75 Ca -0.05 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1ugo h ARG 75 Cb 0.36 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1ugo h ARG 75 CO 0.08 -0.13 -0.03 1.57 -1.51 0.00 0.00 179.97 179.94 1ugo h LYS 76 N -0.20 0.00 0.09 0.20 5.09 0.16 0.89 116.57 122.80 1ugo h LYS 76 Ca 0.20 0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.68 1ugo h LYS 76 Cb 0.52 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.86 1ugo h LYS 76 CO -0.56 0.03 -1.14 0.00 -2.09 0.00 0.00 179.45 175.69 1ugo h ARG 77 N 0.00 0.33 0.09 0.07 2.47 0.20 -3.20 114.38 114.34 1ugo h ARG 77 Ca -0.00 -0.47 -0.26 0.00 -1.26 0.00 0.00 59.98 57.99 1ugo h ARG 77 Cb 0.07 0.16 0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1ugo h ARG 77 CO 0.00 1.18 -1.16 0.00 0.56 0.00 0.00 179.97 180.56 1ugo h ALA 78 N 0.63 0.17 0.00 0.04 0.00 0.31 -2.55 119.26 117.85 1ugo h ALA 78 Ca -0.12 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1ugo h ALA 78 Cb 1.83 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1ugo h ALA 78 CO 0.19 0.89 0.00 0.00 0.00 0.00 0.00 179.25 180.33 1ugo h ALA 79 N 0.60 1.00 0.00 0.00 0.00 0.69 -1.89 119.26 119.66 1ugo h ALA 79 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.49 1ugo h ALA 79 Cb 1.85 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 1ugo h ALA 79 CO 0.20 0.00 -1.71 1.04 0.00 0.00 0.00 179.25 178.78 1ugo n GLN 80 N -2.42 0.56 -0.04 0.00 6.02 -1.14 -3.96 117.38 116.40 1ugo n GLN 80 Ca -0.02 0.43 -0.14 0.00 -0.01 0.00 0.00 57.00 57.26 1ugo n GLN 80 Cb 0.05 -1.62 -0.10 0.00 1.02 0.00 0.00 30.24 29.59 1ugo n GLN 80 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ugo h GLU 81 N -1.00 -0.50 -0.43 -1.09 3.07 -1.00 1.30 114.58 114.93 1ugo h GLU 81 Ca -0.45 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.49 1ugo h GLU 81 Cb 1.36 0.11 -0.08 0.00 -0.84 0.00 0.00 28.75 29.30 1ugo h GLU 81 CO -0.27 -0.33 -0.49 1.15 -1.40 0.00 0.00 179.01 177.67 1ugo h THR 82 N -0.51 0.00 -0.19 1.13 2.02 -1.60 0.62 112.91 114.38 1ugo h THR 82 Ca 0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.27 1ugo h THR 82 Cb 0.63 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1ugo h THR 82 CO -0.46 0.00 0.13 -0.33 0.37 0.00 0.00 175.52 175.24 1ugo h GLU 83 N -0.29 0.01 -0.56 6.66 4.39 -1.54 0.11 114.58 123.36 1ugo h GLU 83 Ca 0.07 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1ugo h GLU 83 Cb 0.49 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1ugo h GLU 83 CO -0.56 0.01 0.31 -0.09 -1.16 0.00 0.00 179.01 177.51 1ugo h ARG 84 N 0.01 0.77 0.01 2.33 2.43 0.72 -2.61 114.38 118.04 1ugo h ARG 84 Ca 0.09 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ugo h ARG 84 Cb 0.34 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1ugo h ARG 84 CO -0.00 0.59 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.98 1ugo h LEU 85 N 0.75 -0.01 -1.87 3.80 3.38 0.49 -2.81 115.31 119.04 1ugo h LEU 85 Ca 0.20 -0.71 0.55 0.00 0.09 0.00 0.00 57.88 58.00 1ugo h LEU 85 Cb 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 1ugo h LEU 85 CO -0.03 0.72 1.33 0.18 0.09 0.00 0.00 178.44 180.73 1ugo n LEU 86 N -4.74 0.03 -0.07 1.67 4.77 0.23 0.17 117.00 119.06 1ugo n LEU 86 Ca -0.09 1.03 -0.11 0.00 -0.03 0.00 0.00 56.01 56.80 1ugo n LEU 86 Cb 0.35 -0.51 -0.10 0.00 -2.33 0.00 0.00 43.42 40.83 1ugo n LEU 86 CO 0.33 -1.04 0.26 0.11 -1.33 0.00 0.00 177.39 175.72 1ugo h LYS 87 N 0.00 0.00 -0.88 3.23 1.79 -1.40 -3.33 116.57 115.97 1ugo h LYS 87 Ca 0.92 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 59.53 1ugo h LYS 87 Cb 3.59 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 34.15 1ugo h LYS 87 CO -0.07 0.78 0.48 0.93 -1.08 0.00 0.00 179.45 180.49 1ugo h GLU 88 N -1.00 0.68 -1.08 3.15 4.39 0.20 0.35 114.58 121.26 1ugo h GLU 88 Ca -0.01 -0.04 0.30 0.00 0.34 0.00 0.00 59.36 59.94 1ugo h GLU 88 Cb 0.80 -0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.22 1ugo h GLU 88 CO -0.01 0.45 0.73 1.25 -1.16 0.00 0.00 179.01 180.27 1ugo h LEU 89 N 0.70 0.25 0.02 1.33 5.85 -0.04 0.92 115.31 124.33 1ugo h LEU 89 Ca 0.47 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.24 1ugo h LEU 89 Cb 0.64 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1ugo h LEU 89 CO -0.34 0.04 -0.01 -0.08 -0.34 0.00 0.00 178.44 177.71 1ugo h GLU 90 N 0.21 -0.03 -1.21 1.25 4.81 -0.45 0.27 114.58 119.44 1ugo h GLU 90 Ca 0.57 0.00 0.35 0.00 -0.13 0.00 0.00 59.36 60.15 1ugo h GLU 90 Cb 1.81 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 31.13 1ugo h GLU 90 CO -0.17 -0.02 0.85 0.37 -0.73 0.00 0.00 179.01 179.31 1ugo h GLN 91 N -0.60 0.09 0.22 1.92 -0.00 -0.70 0.69 115.11 116.73 1ugo h GLN 91 Ca -0.00 -0.01 -0.33 0.00 -0.00 0.00 0.00 58.65 58.31 1ugo h GLN 91 Cb 0.02 -0.02 0.03 0.00 0.00 0.00 0.00 27.48 27.51 1ugo h GLN 91 CO 0.00 0.06 -1.51 -0.91 0.00 0.00 0.00 178.83 176.48 1ugo h ASN 92 N 0.09 0.73 0.00 -0.69 2.35 0.74 -3.39 115.58 115.42 1ugo h ASN 92 Ca 0.61 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1ugo h ASN 92 Cb 2.21 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 40.35 1ugo h ASN 92 CO -0.10 1.71 0.00 0.00 -1.65 0.00 0.00 177.43 177.39 1ugo n ALA 93 N -2.77 -0.00 0.00 -0.83 0.00 0.24 -4.63 120.51 112.52 1ugo n ALA 93 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1ugo n ALA 93 Cb 1.07 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.77 1ugo n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ugo n SER 94 N -1.16 0.00 -4.82 0.00 2.88 -1.09 -3.39 113.62 106.05 1ugo n SER 94 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1ugo n SER 94 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1ugo n SER 94 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ugo s GLY 95 N -0.93 1.83 0.29 0.46 0.00 -1.26 -5.01 107.32 102.70 1ugo s GLY 95 Ca 0.00 0.17 -0.29 0.00 0.00 0.00 0.00 44.72 44.60 1ugo s GLY 95 CO 0.00 0.47 1.08 2.56 0.00 0.00 0.00 173.10 177.21 1ugo s PRO 96 N -4.70 4.60 -0.00 2.90 0.04 -1.26 -4.00 135.00 132.57 1ugo s PRO 96 Ca 0.59 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 1ugo s PRO 96 Cb -0.14 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 1ugo s PRO 96 CO 0.48 0.19 0.30 0.77 0.04 0.00 0.00 177.00 178.78 1ugo h SER 97 N 3.66 -0.03 -4.31 6.66 0.02 -1.91 -3.46 113.55 114.19 1ugo h SER 97 Ca -0.47 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.97 1ugo h SER 97 Cb 1.21 0.01 0.14 0.00 0.14 0.00 0.00 62.40 63.89 1ugo h SER 97 CO 0.66 0.01 0.31 -0.55 -1.14 0.00 0.00 176.83 176.12 1ugo s SER 98 N -2.92 4.38 0.00 3.07 0.15 -1.26 -5.05 113.70 112.07 1ugo s SER 98 Ca -0.00 1.85 0.00 0.00 0.70 0.00 0.00 55.95 58.49 1ugo s SER 98 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1ugo s SER 98 CO 0.01 -2.12 0.31 0.61 1.20 0.00 0.00 173.24 173.26