#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 1.28 -3.64 1.61 2.88 -1.26 -5.12 113.62 109.38 1ugo n SER 2 Ca 0.00 0.19 -0.04 0.00 -1.33 0.00 0.00 58.87 57.70 1ugo n SER 2 Cb 0.00 -0.45 -0.06 0.00 -0.75 0.00 0.00 64.21 62.96 1ugo n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ugo s SER 3 N -5.95 -0.10 0.00 -3.46 0.15 -1.26 -5.18 113.70 97.90 1ugo s SER 3 Ca -0.10 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1ugo s SER 3 Cb 0.02 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1ugo s SER 3 CO 0.15 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1ugo n GLY 4 N 1.07 4.80 3.16 9.45 0.00 -1.26 -5.17 105.19 117.25 1ugo n GLY 4 Ca -0.06 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 1ugo n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugo s SER 5 N 0.76 -0.12 -0.01 1.61 0.01 -1.26 -5.16 113.70 109.52 1ugo s SER 5 Ca 0.00 0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.36 1ugo s SER 5 Cb 0.00 0.32 -0.00 0.00 0.21 0.00 0.00 66.02 66.55 1ugo s SER 5 CO 0.00 -0.32 -0.09 -0.44 0.41 0.00 0.00 173.24 172.80 1ugo s SER 6 N -0.97 1.08 0.00 2.44 0.01 -1.26 -5.10 113.70 109.90 1ugo s SER 6 Ca -0.10 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1ugo s SER 6 Cb -0.05 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1ugo s SER 6 CO 0.02 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1ugo n GLY 7 N 2.99 3.99 0.52 3.44 0.00 -1.26 -5.12 105.19 109.75 1ugo n GLY 7 Ca -0.15 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1ugo n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ugo n MET 8 N -0.64 0.00 -4.39 1.61 0.00 -1.26 -5.15 117.12 107.30 1ugo n MET 8 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.46 1ugo n MET 8 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.13 1ugo n MET 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1ugo s ASP 9 N -2.00 4.03 -0.11 6.12 1.01 -1.26 -5.13 116.67 119.33 1ugo s ASP 9 Ca 0.00 -0.89 -0.02 0.00 0.71 0.00 0.00 52.55 52.36 1ugo s ASP 9 Cb 0.00 -0.54 -0.03 0.00 1.01 0.00 0.00 42.92 43.36 1ugo s ASP 9 CO 0.00 -0.02 -0.03 -0.04 0.21 0.00 0.00 175.17 175.29 1ugo s MET 10 N -3.60 3.19 7.32 8.23 -1.94 -1.26 -4.96 119.30 126.28 1ugo s MET 10 Ca 0.31 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 53.80 1ugo s MET 10 Cb -0.05 -2.79 0.00 0.00 2.01 0.00 0.00 34.83 34.01 1ugo s MET 10 CO 0.17 0.51 0.00 0.41 -0.01 0.00 0.00 175.02 176.11 1ugo n GLY 11 N 2.70 1.88 3.68 -0.03 0.00 -1.26 -4.84 105.19 107.33 1ugo n GLY 11 Ca -0.18 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1ugo n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ugo n ASN 12 N 8.05 0.86 -2.56 1.61 3.02 -1.26 -4.96 115.26 120.02 1ugo n ASN 12 Ca 0.00 0.56 -0.11 0.00 -0.03 0.00 0.00 54.58 55.01 1ugo n ASN 12 Cb 0.00 -1.50 0.03 0.00 -0.61 0.00 0.00 39.78 37.71 1ugo n ASN 12 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1ugo n GLN 13 N -3.33 2.26 -1.64 3.52 7.27 -1.26 -4.93 117.38 119.27 1ugo n GLN 13 Ca 0.13 -3.73 0.00 0.00 0.07 0.00 0.00 57.00 53.47 1ugo n GLN 13 Cb 0.51 -1.77 0.00 0.00 2.41 0.00 0.00 30.24 31.39 1ugo n GLN 13 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1ugo n HIS 14 N -0.51 -4.53 1.24 3.69 -0.00 -1.26 -1.75 115.22 112.10 1ugo n HIS 14 Ca 0.20 2.41 0.11 0.00 -0.00 0.00 0.00 57.72 60.44 1ugo n HIS 14 Cb 0.83 -3.60 0.63 0.00 -0.00 0.00 0.00 29.99 27.85 1ugo n HIS 14 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1ugo n PRO 15 N -0.82 0.49 -0.08 1.57 -0.04 -1.26 -1.41 135.00 133.44 1ugo n PRO 15 Ca 0.00 0.04 -0.17 0.00 -0.04 0.00 0.00 63.50 63.34 1ugo n PRO 15 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 1ugo n PRO 15 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ugo n SER 16 N -1.18 1.49 -0.28 3.54 7.64 -1.26 -4.23 113.62 119.35 1ugo n SER 16 Ca 0.14 0.15 -0.06 0.00 1.01 0.00 0.00 58.87 60.10 1ugo n SER 16 Cb 0.14 -0.45 0.06 0.00 -1.01 0.00 0.00 64.21 62.96 1ugo n SER 16 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ugo h ILE 17 N -0.49 1.26 -0.49 0.44 1.08 -1.67 -1.82 117.51 115.82 1ugo h ILE 17 Ca -0.41 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.22 1ugo h ILE 17 Cb 1.41 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 1ugo h ILE 17 CO -0.22 0.34 0.32 -1.28 -0.69 0.00 0.00 178.15 176.62 1ugo h SER 18 N 1.14 0.57 0.32 1.72 0.87 -0.39 -1.57 113.55 116.21 1ugo h SER 18 Ca 0.26 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1ugo h SER 18 Cb 0.23 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1ugo h SER 18 CO -0.02 0.42 -0.16 -0.09 -0.53 0.00 0.00 176.83 176.45 1ugo h ARG 19 N 0.67 -0.42 -1.17 2.24 9.65 -1.52 0.43 114.38 124.26 1ugo h ARG 19 Ca 0.18 0.03 0.36 0.00 -1.10 0.00 0.00 59.98 59.45 1ugo h ARG 19 Cb -0.07 0.10 -0.12 0.00 -1.39 0.00 0.00 29.97 28.49 1ugo h ARG 19 CO -0.04 -0.28 0.74 -0.07 2.80 0.00 0.00 179.97 183.12 1ugo h LEU 20 N -0.51 0.35 -0.51 3.80 4.07 -1.35 1.65 115.31 122.81 1ugo h LEU 20 Ca -0.04 0.13 -0.12 0.00 0.08 0.00 0.00 57.88 57.93 1ugo h LEU 20 Cb 0.33 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 1ugo h LEU 20 CO 0.07 -0.10 -0.14 1.56 -1.08 0.00 0.00 178.44 178.76 1ugo h GLN 21 N 0.22 1.00 0.00 1.13 4.20 -1.10 1.09 115.11 121.65 1ugo h GLN 21 Ca 0.73 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1ugo h GLN 21 Cb 2.07 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.80 1ugo h GLN 21 CO -0.42 1.07 0.00 0.39 -0.67 0.00 0.00 178.83 179.20 1ugo n GLU 22 N -4.16 0.06 -0.10 1.46 -0.58 0.51 -2.40 120.64 115.43 1ugo n GLU 22 Ca 0.01 0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.76 1ugo n GLU 22 Cb 0.41 -1.58 -0.15 0.00 -0.57 0.00 0.00 31.44 29.55 1ugo n GLU 22 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1ugo n ILE 23 N -1.69 1.34 0.09 -3.67 5.41 0.17 -4.20 119.36 116.80 1ugo n ILE 23 Ca 0.06 -0.83 -0.13 0.00 1.00 0.00 0.00 62.75 62.85 1ugo n ILE 23 Cb 0.32 -0.48 -0.08 0.00 -0.71 0.00 0.00 39.64 38.69 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 0.00 -0.24 -0.12 0.38 4.20 0.13 -2.52 115.11 116.94 1ugo h GLN 24 Ca -0.53 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.23 1ugo h GLN 24 Cb 2.21 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 30.04 1ugo h GLN 24 CO 0.03 0.13 0.33 0.07 -0.67 0.00 0.00 178.83 178.72 1ugo h ARG 25 N -0.67 0.00 0.15 1.46 0.11 -1.70 0.20 114.38 113.92 1ugo h ARG 25 Ca -0.03 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 1ugo h ARG 25 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 1ugo h ARG 25 CO 0.04 0.00 -0.07 0.93 0.10 0.00 0.00 179.97 180.97 1ugo h GLU 26 N 0.00 -0.19 0.00 0.08 4.39 -1.66 0.15 114.58 117.34 1ugo h GLU 26 Ca 0.06 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1ugo h GLU 26 Cb 0.71 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1ugo h GLU 26 CO -0.00 0.16 -0.06 -0.39 -1.16 0.00 0.00 179.01 177.56 1ugo h VAL 27 N -0.97 0.97 0.08 3.13 -1.51 -0.80 0.85 116.25 117.99 1ugo h VAL 27 Ca -0.02 -0.22 -0.27 0.00 -1.23 0.00 0.00 66.70 64.96 1ugo h VAL 27 Cb 0.44 1.12 0.02 0.00 -2.13 0.00 0.00 31.29 30.74 1ugo h VAL 27 CO 0.03 0.06 -1.14 0.50 -1.23 0.00 0.00 177.57 175.80 1ugo h LYS 28 N 0.00 0.50 0.00 5.19 1.63 -0.70 0.37 116.57 123.57 1ugo h LYS 28 Ca -0.00 -0.64 0.00 0.00 -0.85 0.00 0.00 60.65 59.16 1ugo h LYS 28 Cb 0.12 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1ugo h LYS 28 CO 0.01 1.26 0.00 0.00 -3.45 0.00 0.00 179.45 177.27 1ugo n ALA 29 N -2.61 2.00 -0.01 5.00 0.00 0.51 -2.12 120.51 123.28 1ugo n ALA 29 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1ugo n ALA 29 Cb 0.94 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.47 0.36 -0.14 0.00 -6.64 0.16 -4.66 119.36 106.98 1ugo n ILE 30 Ca 0.06 -0.68 -0.10 0.00 -1.77 0.00 0.00 62.75 60.26 1ugo n ILE 30 Cb 0.24 0.82 -0.01 0.00 -1.44 0.00 0.00 39.64 39.25 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 0.73 0.00 6.28 4.81 0.29 -2.11 114.58 124.59 1ugo h GLU 31 Ca 0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1ugo h GLU 31 Cb 0.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1ugo h GLU 31 CO 0.00 0.82 0.00 -0.35 -0.73 0.00 0.00 179.01 178.75 1ugo n PRO 32 N -4.42 0.75 0.01 0.92 -0.04 -1.26 -1.78 135.00 129.18 1ugo n PRO 32 Ca -0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1ugo n PRO 32 Cb 0.30 -1.44 0.07 0.00 -0.04 0.00 0.00 33.50 32.39 1ugo n PRO 32 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ugo n GLN 33 N -0.94 0.13 -0.04 0.54 6.02 -0.80 -3.08 117.38 119.21 1ugo n GLN 33 Ca 0.16 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.11 1ugo n GLN 33 Cb 0.07 -1.54 -0.05 0.00 1.02 0.00 0.00 30.24 29.74 1ugo n GLN 33 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1ugo n VAL 34 N -1.70 0.47 -0.06 5.09 3.14 -0.91 -3.95 118.33 120.41 1ugo n VAL 34 Ca 0.04 -0.25 -0.14 0.00 -2.96 0.00 0.00 64.34 61.02 1ugo n VAL 34 Cb 0.38 -0.82 -0.06 0.00 -1.06 0.00 0.00 33.84 32.28 1ugo n VAL 34 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1ugo h VAL 35 N 0.00 1.33 -0.65 1.55 2.07 -1.52 -3.07 116.25 115.96 1ugo h VAL 35 Ca -0.18 -1.60 -0.10 0.00 0.82 0.00 0.00 66.70 65.63 1ugo h VAL 35 Cb 1.37 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.95 1ugo h VAL 35 CO -0.00 0.49 0.13 0.61 0.02 0.00 0.00 177.57 178.82 1ugo n GLY 36 N 0.40 3.26 3.76 2.17 0.00 -1.18 -4.97 105.19 108.63 1ugo n GLY 36 Ca -0.06 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.82 2.42 -0.30 1.61 5.36 -1.16 -4.96 117.98 118.14 1ugo s PHE 37 Ca 0.54 0.89 -0.05 0.00 -0.96 0.00 0.00 56.93 57.35 1ugo s PHE 37 Cb 0.42 -3.35 0.19 0.00 -0.34 0.00 0.00 43.02 39.93 1ugo s PHE 37 CO 0.14 -2.48 0.83 0.45 -1.46 0.00 0.00 175.22 172.70 1ugo s SER 38 N -3.89 -0.96 0.00 6.13 0.15 -1.26 -4.85 113.70 109.02 1ugo s SER 38 Ca 0.64 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1ugo s SER 38 Cb -0.16 1.67 0.00 0.00 -1.71 0.00 0.00 66.02 65.83 1ugo s SER 38 CO 0.54 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.42 1ugo n GLY 39 N 5.33 -0.64 4.01 9.45 0.00 -1.25 -5.07 105.19 117.02 1ugo n GLY 39 Ca 0.03 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 1ugo n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugo s LEU 40 N 0.00 3.28 -0.29 0.99 1.43 -1.26 -3.32 118.68 119.51 1ugo s LEU 40 Ca 0.00 -0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 52.33 1ugo s LEU 40 Cb 0.00 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1ugo s LEU 40 CO 0.00 -1.11 3.05 -1.54 0.23 0.00 0.00 176.35 176.98 1ugo n SER 41 N -2.06 6.03 0.00 2.29 3.41 -1.26 -3.80 113.62 118.22 1ugo n SER 41 Ca 0.12 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 1ugo n SER 41 Cb 0.61 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1ugo n SER 41 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ugo n ASP 42 N 1.44 0.00 -4.77 4.04 5.75 -1.26 -4.98 116.55 116.76 1ugo n ASP 42 Ca 0.46 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.94 1ugo n ASP 42 Cb 0.68 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.71 1ugo n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ugo s ASP 43 N 0.00 4.26 -1.22 -1.12 2.15 -1.25 -4.99 116.67 114.50 1ugo s ASP 43 Ca 0.00 -1.43 -0.08 0.00 0.43 0.00 0.00 52.55 51.47 1ugo s ASP 43 Cb 0.00 0.22 -0.08 0.00 -0.30 0.00 0.00 42.92 42.76 1ugo s ASP 43 CO 0.00 -0.81 2.57 0.29 -0.17 0.00 0.00 175.17 177.05 1ugo n LYS 44 N -1.34 2.86 0.00 4.34 4.76 -1.26 -3.14 118.16 124.38 1ugo n LYS 44 Ca -0.10 -1.79 0.00 0.00 -2.87 0.00 0.00 58.31 53.55 1ugo n LYS 44 Cb 0.66 -2.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.25 1ugo n LYS 44 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1ugo n ASN 45 N 3.82 -0.07 -0.22 4.39 2.85 -1.26 -4.98 115.26 119.79 1ugo n ASN 45 Ca 0.61 0.30 -0.00 0.00 -0.11 0.00 0.00 54.58 55.37 1ugo n ASN 45 Cb 0.21 0.35 0.07 0.00 1.24 0.00 0.00 39.78 41.65 1ugo n ASN 45 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1ugo h TYR 46 N 0.00 -0.36 -0.54 1.20 5.03 -1.83 0.24 116.97 120.70 1ugo h TYR 46 Ca 0.00 0.06 0.10 0.00 2.58 0.00 0.00 58.73 61.46 1ugo h TYR 46 Cb 0.00 0.26 -0.11 0.00 1.55 0.00 0.00 36.73 38.44 1ugo h TYR 46 CO 0.00 -0.29 -0.36 0.87 -1.32 0.00 0.00 178.16 177.07 1ugo h LYS 47 N -0.00 -0.19 -0.08 1.82 6.56 -1.92 0.26 116.57 123.01 1ugo h LYS 47 Ca 0.31 0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.93 1ugo h LYS 47 Cb 0.48 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.17 1ugo h LYS 47 CO -0.68 -0.13 -0.13 -0.09 -2.06 0.00 0.00 179.45 176.36 1ugo h ARG 48 N -0.20 -0.10 -0.34 3.15 9.65 -1.27 0.33 114.38 125.61 1ugo h ARG 48 Ca 0.21 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.13 1ugo h ARG 48 Cb 0.55 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.11 1ugo h ARG 48 CO -0.65 -0.07 -0.24 -0.07 2.80 0.00 0.00 179.97 181.74 1ugo h LEU 49 N -0.11 -0.86 -0.99 3.80 4.07 -1.00 0.86 115.31 121.09 1ugo h LEU 49 Ca 0.01 0.13 0.13 0.00 0.08 0.00 0.00 57.88 58.23 1ugo h LEU 49 Cb 0.14 0.37 -0.15 0.00 1.08 0.00 0.00 40.66 42.11 1ugo h LEU 49 CO -0.13 -0.12 -0.45 -0.08 -1.08 0.00 0.00 178.44 176.58 1ugo h GLU 50 N -0.05 -0.01 -0.21 1.13 4.81 -0.59 0.64 114.58 120.30 1ugo h GLU 50 Ca 0.05 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1ugo h GLU 50 Cb 0.20 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1ugo h GLU 50 CO -0.35 -0.00 -0.05 0.00 -0.73 0.00 0.00 179.01 177.88 1ugo h ARG 51 N -0.01 -0.00 -0.05 1.92 2.47 0.20 0.66 114.38 119.56 1ugo h ARG 51 Ca 0.29 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 59.04 1ugo h ARG 51 Cb 0.54 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.81 1ugo h ARG 51 CO -0.97 -0.00 -0.32 0.82 0.56 0.00 0.00 179.97 180.06 1ugo h ILE 52 N -0.00 0.29 0.59 2.04 2.04 0.52 1.46 117.51 124.45 1ugo h ILE 52 Ca 0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 1ugo h ILE 52 Cb 0.16 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1ugo h ILE 52 CO -0.22 0.00 -0.43 -0.07 0.00 0.00 0.00 178.15 177.43 1ugo h LEU 53 N -0.44 -1.12 -0.78 1.44 3.38 0.50 0.34 115.31 118.62 1ugo h LEU 53 Ca 0.07 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.28 1ugo h LEU 53 Cb 0.55 0.35 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 1ugo h LEU 53 CO -0.30 -0.63 0.29 0.00 0.09 0.00 0.00 178.44 177.89 1ugo h THR 54 N -0.98 0.58 0.63 0.22 1.03 0.71 0.27 112.91 115.36 1ugo h THR 54 Ca -0.07 -0.14 -0.03 0.00 -0.01 0.00 0.00 66.41 66.16 1ugo h THR 54 Cb 0.82 0.15 0.01 0.00 -1.07 0.00 0.00 68.15 68.06 1ugo h THR 54 CO 0.03 0.07 -0.30 0.11 -0.01 0.00 0.00 175.52 175.42 1ugo h LYS 55 N 0.40 -0.81 -0.75 0.00 1.57 0.26 0.14 116.57 117.38 1ugo h LYS 55 Ca 0.45 0.06 0.14 0.00 -1.87 0.00 0.00 60.65 59.42 1ugo h LYS 55 Cb 0.74 0.18 -0.14 0.00 0.08 0.00 0.00 32.23 33.09 1ugo h LYS 55 CO -0.46 -0.54 -0.25 1.96 -0.57 0.00 0.00 179.45 179.60 1ugo h GLN 56 N -0.85 -0.04 0.24 3.15 1.08 0.29 0.70 115.11 119.68 1ugo h GLN 56 Ca -0.09 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1ugo h GLN 56 Cb 0.64 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.05 1ugo h GLN 56 CO 0.14 -0.03 -0.41 1.25 -0.95 0.00 0.00 178.83 178.84 1ugo h LEU 57 N -0.04 -1.16 -1.79 1.46 7.12 -0.38 0.97 115.31 121.49 1ugo h LEU 57 Ca 0.33 0.12 0.27 0.00 0.13 0.00 0.00 57.88 58.73 1ugo h LEU 57 Cb 0.57 0.42 -0.04 0.00 -0.53 0.00 0.00 40.66 41.07 1ugo h LEU 57 CO -0.78 -0.51 0.82 0.15 -0.13 0.00 0.00 178.44 177.98 1ugo h PHE 58 N -0.72 0.00 0.05 1.25 3.04 0.15 1.44 116.94 122.15 1ugo h PHE 58 Ca -0.00 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.72 1ugo h PHE 58 Cb 0.70 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.19 1ugo h PHE 58 CO -0.30 0.00 -1.07 0.93 -2.02 0.00 0.00 178.31 175.85 1ugo h GLU 59 N 0.00 0.13 -0.06 1.11 4.39 0.82 -3.07 114.58 117.90 1ugo h GLU 59 Ca 0.44 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 1ugo h GLU 59 Cb 2.07 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.79 1ugo h GLU 59 CO -0.00 1.07 0.03 0.82 -1.16 0.00 0.00 179.01 179.77 1ugo h ILE 60 N 0.04 1.08 -0.01 3.13 2.04 0.34 -1.50 117.51 122.62 1ugo h ILE 60 Ca -0.06 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1ugo h ILE 60 Cb 1.80 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1ugo h ILE 60 CO 0.16 0.06 0.01 -0.78 0.00 0.00 0.00 178.15 177.60 1ugo h ASP 61 N 0.00 0.00 -0.64 1.72 3.58 -1.48 -0.40 116.42 119.20 1ugo h ASP 61 Ca 0.02 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 1ugo h ASP 61 Cb 0.08 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 1ugo h ASP 61 CO -0.00 0.00 0.21 -1.28 -2.88 0.00 0.00 179.24 175.29 1ugo h SER 62 N 0.00 0.95 -2.01 2.28 0.87 -1.19 -3.41 113.55 111.03 1ugo h SER 62 Ca 0.01 -0.16 -0.58 0.00 -1.23 0.00 0.00 61.79 59.82 1ugo h SER 62 Cb 0.03 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1ugo h SER 62 CO -0.00 0.88 1.45 0.52 -0.53 0.00 0.00 176.83 179.15 1ugo n VAL 63 N -4.27 0.41 -2.61 2.23 0.31 -0.16 -4.90 118.33 109.34 1ugo n VAL 63 Ca 0.05 -0.40 -0.43 0.00 -0.01 0.00 0.00 64.34 63.55 1ugo n VAL 63 Cb 0.21 -2.49 -0.02 0.00 -0.91 0.00 0.00 33.84 30.63 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 7.65 6.87 0.16 4.52 2.15 -1.26 -4.87 116.67 131.89 1ugo s ASP 64 Ca 0.99 1.01 0.25 0.00 0.43 0.00 0.00 52.55 55.23 1ugo s ASP 64 Cb -0.37 -2.54 0.55 0.00 -0.30 0.00 0.00 42.92 40.25 1ugo s ASP 64 CO 0.37 -0.94 1.52 0.35 -0.17 0.00 0.00 175.17 176.30 1ugo n THR 65 N 6.01 0.47 -4.32 1.71 -2.24 -1.26 -4.93 114.28 109.73 1ugo n THR 65 Ca 0.12 -0.28 -0.35 0.00 -2.27 0.00 0.00 64.05 61.27 1ugo n THR 65 Cb 0.47 -0.33 -0.09 0.00 -2.10 0.00 0.00 70.33 68.28 1ugo n THR 65 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ugo n GLU 66 N -2.19 -0.84 -4.08 -0.78 2.13 -1.26 -0.23 120.64 113.38 1ugo n GLU 66 Ca 0.04 0.11 -0.43 0.00 0.66 0.00 0.00 57.16 57.54 1ugo n GLU 66 Cb 0.44 -3.91 0.01 0.00 0.27 0.00 0.00 31.44 28.25 1ugo n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ugo n GLY 67 N -1.85 -0.72 0.01 8.31 0.00 -1.26 -4.83 105.19 104.85 1ugo n GLY 67 Ca -0.12 0.30 0.07 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.79 0.61 0.00 1.61 5.02 0.68 -5.00 118.16 116.29 1ugo n LYS 68 Ca -0.12 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 1ugo n LYS 68 Cb 0.53 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 1.54 1.95 0.40 0.72 0.00 -1.26 -4.72 105.19 103.82 1ugo n GLY 69 Ca -0.05 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1ugo n GLY 69 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ugo h ASP 70 N 0.00 -1.36 0.12 1.61 3.32 -1.94 0.26 116.42 118.43 1ugo h ASP 70 Ca 0.00 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1ugo h ASP 70 Cb 0.00 0.56 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1ugo h ASP 70 CO 0.00 -0.42 -0.06 0.40 -1.72 0.00 0.00 179.24 177.44 1ugo h ILE 71 N -0.47 0.81 -1.85 0.35 2.04 -1.87 -3.05 117.51 113.46 1ugo h ILE 71 Ca 0.08 -1.27 0.54 0.00 1.00 0.00 0.00 64.86 65.21 1ugo h ILE 71 Cb 0.62 1.42 -0.08 0.00 -0.74 0.00 0.00 36.82 38.04 1ugo h ILE 71 CO -0.43 0.23 1.33 1.67 0.00 0.00 0.00 178.15 180.95 1ugo n GLN 72 N -4.86 -0.00 0.04 2.37 0.00 -1.14 0.21 117.38 114.00 1ugo n GLN 72 Ca -0.07 1.02 -0.06 0.00 -0.00 0.00 0.00 57.00 57.89 1ugo n GLN 72 Cb 0.25 -2.34 -0.04 0.00 0.00 0.00 0.00 30.24 28.11 1ugo n GLN 72 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1ugo h GLN 73 N 0.00 -0.21 -0.32 3.69 4.20 -0.46 -2.63 115.11 119.37 1ugo h GLN 73 Ca 0.88 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.59 1ugo h GLN 73 Cb 3.53 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 31.35 1ugo h GLN 73 CO -0.02 0.01 0.14 0.00 -0.67 0.00 0.00 178.83 178.29 1ugo h ALA 74 N -0.84 0.42 -0.75 3.87 0.00 0.51 -1.00 119.26 121.48 1ugo h ALA 74 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ugo h ALA 74 Cb 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ugo h ALA 74 CO 0.04 0.01 0.00 -2.13 0.00 0.00 0.00 179.25 177.17 1ugo n ARG 75 N -4.73 0.00 -0.15 0.00 0.63 0.56 0.21 116.66 113.19 1ugo n ARG 75 Ca -0.01 0.61 0.29 0.00 -0.92 0.00 0.00 57.85 57.81 1ugo n ARG 75 Cb 0.13 -1.38 0.69 0.00 0.45 0.00 0.00 32.46 32.36 1ugo n ARG 75 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1ugo h LYS 76 N 0.00 0.00 0.02 -0.14 5.09 -1.51 1.81 116.57 121.83 1ugo h LYS 76 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 60.52 1ugo h LYS 76 Cb 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.33 1ugo h LYS 76 CO 0.00 0.00 -0.94 0.00 -2.09 0.00 0.00 179.45 176.42 1ugo h ARG 77 N 0.00 0.28 0.09 0.07 2.47 0.43 -2.86 114.38 114.86 1ugo h ARG 77 Ca 0.41 -0.33 -0.26 0.00 -1.26 0.00 0.00 59.98 58.55 1ugo h ARG 77 Cb 1.95 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 30.36 1ugo h ARG 77 CO -0.00 1.04 -1.25 0.00 0.56 0.00 0.00 179.97 180.32 1ugo h ALA 78 N 0.84 0.23 -0.40 0.04 0.00 1.45 -2.51 119.26 118.91 1ugo h ALA 78 Ca -0.07 -0.96 0.03 0.00 0.00 0.00 0.00 54.91 53.91 1ugo h ALA 78 Cb 1.59 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 1ugo h ALA 78 CO 0.15 1.11 0.21 0.00 0.00 0.00 0.00 179.25 180.72 1ugo h ALA 79 N 0.70 0.49 -0.34 0.00 0.00 0.74 -1.09 119.26 119.76 1ugo h ALA 79 Ca -0.13 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1ugo h ALA 79 Cb 1.93 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1ugo h ALA 79 CO 0.17 -0.15 -0.30 1.96 0.00 0.00 0.00 179.25 180.93 1ugo h GLN 80 N 0.42 0.81 0.02 0.00 4.20 -1.58 -2.96 115.11 116.03 1ugo h GLN 80 Ca 0.17 -0.42 0.01 0.00 0.06 0.00 0.00 58.65 58.47 1ugo h GLN 80 Cb 0.06 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1ugo h GLN 80 CO -0.11 1.05 -0.39 0.93 -0.67 0.00 0.00 178.83 179.65 1ugo h GLU 81 N 0.60 -0.48 -0.23 1.46 3.07 -0.96 0.77 114.58 118.80 1ugo h GLU 81 Ca 0.06 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.98 1ugo h GLU 81 Cb 0.88 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.85 1ugo h GLU 81 CO 0.08 -0.32 -0.39 1.15 -1.40 0.00 0.00 179.01 178.12 1ugo h THR 82 N -0.50 0.00 -0.70 1.13 2.02 -1.27 -0.40 112.91 113.19 1ugo h THR 82 Ca 0.01 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.34 1ugo h THR 82 Cb 0.53 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.82 1ugo h THR 82 CO -0.25 0.00 0.07 -0.33 0.37 0.00 0.00 175.52 175.38 1ugo h GLU 83 N -0.32 0.16 -0.93 6.66 4.39 -1.32 -1.32 114.58 121.90 1ugo h GLU 83 Ca 0.04 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.82 1ugo h GLU 83 Cb 0.44 -0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 28.94 1ugo h GLU 83 CO -0.39 0.11 -0.57 -0.09 -1.16 0.00 0.00 179.01 176.91 1ugo h ARG 84 N 0.17 -0.02 -0.31 2.33 1.12 0.23 0.42 114.38 118.31 1ugo h ARG 84 Ca 0.38 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 59.30 1ugo h ARG 84 Cb 0.66 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.58 1ugo h ARG 84 CO -0.56 -0.01 0.07 -0.07 -3.11 0.00 0.00 179.97 176.29 1ugo h LEU 85 N -0.02 0.03 -0.59 3.80 -0.00 -0.82 -2.63 115.31 115.07 1ugo h LEU 85 Ca 0.15 0.05 0.06 0.00 -0.00 0.00 0.00 57.88 58.13 1ugo h LEU 85 Cb 0.40 0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 41.05 1ugo h LEU 85 CO -0.89 0.05 -0.42 -0.07 -0.00 0.00 0.00 178.44 177.12 1ugo h LEU 86 N 0.19 -1.49 -0.66 1.67 3.38 0.56 0.36 115.31 119.32 1ugo h LEU 86 Ca 0.14 0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.41 1ugo h LEU 86 Cb 0.15 0.65 -0.11 0.00 0.09 0.00 0.00 40.66 41.44 1ugo h LEU 86 CO -0.18 -0.20 -0.51 0.11 0.09 0.00 0.00 178.44 177.75 1ugo h LYS 87 N -0.08 -0.20 -0.80 1.13 1.57 -0.58 0.46 116.57 118.08 1ugo h LYS 87 Ca 0.10 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.08 1ugo h LYS 87 Cb 0.33 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 32.56 1ugo h LYS 87 CO -0.60 -0.13 0.17 0.93 -0.57 0.00 0.00 179.45 179.24 1ugo h GLU 88 N -0.21 0.21 0.00 3.15 4.39 -0.50 -2.16 114.58 119.46 1ugo h GLU 88 Ca 0.15 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1ugo h GLU 88 Cb 0.54 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1ugo h GLU 88 CO -0.74 0.14 0.00 -0.11 -1.16 0.00 0.00 179.01 177.14 1ugo n LEU 89 N -5.22 0.00 -0.35 1.33 7.94 0.16 0.19 117.00 121.06 1ugo n LEU 89 Ca 0.17 0.94 -0.09 0.00 -1.11 0.00 0.00 56.01 55.91 1ugo n LEU 89 Cb 0.55 -0.44 -0.08 0.00 0.53 0.00 0.00 43.42 43.98 1ugo n LEU 89 CO 0.09 -0.44 0.45 -0.62 -1.11 0.00 0.00 177.39 175.76 1ugo n GLU 90 N -2.65 -0.36 0.09 1.96 1.02 -0.83 0.67 120.64 120.52 1ugo n GLU 90 Ca 0.00 1.35 -0.09 0.00 -0.02 0.00 0.00 57.16 58.40 1ugo n GLU 90 Cb 0.00 -1.99 -0.05 0.00 -0.02 0.00 0.00 31.44 29.38 1ugo n GLU 90 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1ugo h GLN 91 N 0.00 -0.43 -0.99 3.49 4.15 -1.01 -2.10 115.11 118.22 1ugo h GLN 91 Ca 0.13 0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.76 1ugo h GLN 91 Cb 0.34 0.10 -0.18 0.00 0.21 0.00 0.00 27.48 27.95 1ugo h GLN 91 CO -0.77 -0.29 -0.31 -0.91 -1.93 0.00 0.00 178.83 174.62 1ugo h ASN 92 N -0.45 -1.14 0.00 -0.69 2.35 0.34 -2.32 115.58 113.67 1ugo h ASN 92 Ca -0.01 0.30 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1ugo h ASN 92 Cb 0.43 0.67 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1ugo h ASN 92 CO -0.12 -0.31 0.00 0.00 -1.65 0.00 0.00 177.43 175.34 1ugo n ALA 93 N -3.55 0.00 -0.06 -0.83 0.00 0.21 -4.68 120.51 111.59 1ugo n ALA 93 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1ugo n ALA 93 Cb 0.46 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.65 0.00 -4.78 0.00 2.88 -0.87 -3.80 113.62 106.39 1ugo n SER 94 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1ugo n SER 94 Cb 0.00 0.26 0.04 0.00 -0.75 0.00 0.00 64.21 63.76 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 -0.94 2.11 -0.07 0.46 0.00 -1.26 -4.86 107.32 102.76 1ugo s GLY 95 Ca 0.00 0.46 -0.26 0.00 0.00 0.00 0.00 44.72 44.92 1ugo s GLY 95 CO 0.00 0.80 1.03 -0.56 0.00 0.00 0.00 173.10 174.38 1ugo h PRO 96 N 0.11 0.07 0.00 2.90 0.13 -1.90 -3.34 132.00 129.97 1ugo h PRO 96 Ca -0.47 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1ugo h PRO 96 Cb 1.23 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ugo h PRO 96 CO 0.55 0.80 0.00 0.43 -0.23 0.00 0.00 178.00 179.55 1ugo n SER 97 N -4.65 -1.90 -3.64 1.44 7.64 -1.26 -4.56 113.62 106.70 1ugo n SER 97 Ca -0.09 0.52 -0.08 0.00 1.01 0.00 0.00 58.87 60.22 1ugo n SER 97 Cb 0.41 1.98 -0.07 0.00 -1.01 0.00 0.00 64.21 65.52 1ugo n SER 97 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ugo s SER 98 N -2.00 -0.82 0.00 6.43 1.04 -1.26 -5.16 113.70 111.93 1ugo s SER 98 Ca 0.00 1.38 0.00 0.00 0.48 0.00 0.00 55.95 57.81 1ugo s SER 98 Cb 0.00 1.36 0.00 0.00 0.10 0.00 0.00 66.02 67.48 1ugo s SER 98 CO 0.00 -0.22 0.30 0.61 0.98 0.00 0.00 173.24 174.91