#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 -2.98 -1.32 1.61 2.88 -1.26 -5.17 113.62 107.38 1ugo n SER 2 Ca 0.00 0.70 0.16 0.00 -1.33 0.00 0.00 58.87 58.41 1ugo n SER 2 Cb 0.00 2.90 -0.08 0.00 -0.75 0.00 0.00 64.21 66.28 1ugo n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ugo n SER 3 N -3.21 -7.54 0.00 -3.46 7.64 -1.26 -5.08 113.62 100.71 1ugo n SER 3 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1ugo n SER 3 Cb 0.00 -4.42 0.00 0.00 -1.01 0.00 0.00 64.21 58.78 1ugo n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugo n GLY 4 N -4.15 -0.49 2.05 0.23 0.00 -1.26 -5.15 105.19 96.43 1ugo n GLY 4 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ugo n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ugo n SER 5 N 0.00 -8.68 -3.57 1.61 7.64 -1.26 -5.09 113.62 104.27 1ugo n SER 5 Ca 0.00 1.42 -0.06 0.00 1.01 0.00 0.00 58.87 61.24 1ugo n SER 5 Cb 0.00 -4.85 -0.02 0.00 -1.01 0.00 0.00 64.21 58.33 1ugo n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ugo s SER 6 N -0.51 -0.23 0.00 6.43 0.15 -1.26 -5.14 113.70 113.14 1ugo s SER 6 Ca 0.00 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1ugo s SER 6 Cb 0.00 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1ugo s SER 6 CO 0.00 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1ugo n GLY 7 N -0.01 2.52 3.17 9.45 0.00 -1.26 -5.15 105.19 113.90 1ugo n GLY 7 Ca -0.04 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 1ugo n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ugo s MET 8 N -2.18 1.29 0.11 1.61 0.00 -1.26 -5.14 119.30 113.73 1ugo s MET 8 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 55.69 54.99 1ugo s MET 8 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 34.83 33.51 1ugo s MET 8 CO 0.00 0.34 0.06 0.34 0.00 0.00 0.00 175.02 175.76 1ugo s ASP 9 N -0.65 0.33 -0.30 -1.18 -1.08 -1.26 -5.16 116.67 107.37 1ugo s ASP 9 Ca 0.06 -1.10 -0.13 0.00 -0.52 0.00 0.00 52.55 50.86 1ugo s ASP 9 Cb -0.07 0.28 0.17 0.00 -1.46 0.00 0.00 42.92 41.84 1ugo s ASP 9 CO 0.00 -0.71 0.95 0.00 0.52 0.00 0.00 175.17 175.93 1ugo s MET 10 N -4.00 0.31 0.00 4.34 0.23 -1.26 -5.10 119.30 113.82 1ugo s MET 10 Ca 0.18 0.71 0.00 0.00 -1.03 0.00 0.00 55.69 55.55 1ugo s MET 10 Cb 0.07 0.42 0.00 0.00 -1.53 0.00 0.00 34.83 33.79 1ugo s MET 10 CO -0.02 -0.17 0.00 0.41 -2.03 0.00 0.00 175.02 173.21 1ugo n GLY 11 N 5.14 0.35 3.05 3.16 0.00 -1.26 -5.10 105.19 110.53 1ugo n GLY 11 Ca -0.08 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1ugo n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ugo s ASN 12 N -4.00 0.66 -0.33 1.61 2.20 -1.26 -5.07 114.94 108.74 1ugo s ASN 12 Ca 0.00 -0.63 0.16 0.00 -0.94 0.00 0.00 52.86 51.45 1ugo s ASN 12 Cb 0.00 0.08 0.46 0.00 -2.00 0.00 0.00 41.25 39.79 1ugo s ASN 12 CO 0.00 -0.30 1.00 1.67 -2.94 0.00 0.00 177.10 176.53 1ugo n GLN 13 N 1.21 1.65 -1.64 3.55 7.27 -1.26 -5.10 117.38 123.07 1ugo n GLN 13 Ca -0.21 -3.52 0.00 0.00 0.07 0.00 0.00 57.00 53.34 1ugo n GLN 13 Cb 0.56 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.74 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 -0.20 -4.51 0.33 3.69 -0.00 -1.26 -1.30 115.22 111.97 1ugo n HIS 14 Ca 0.15 2.41 0.14 0.00 -0.00 0.00 0.00 57.72 60.42 1ugo n HIS 14 Cb 0.79 -3.62 0.44 0.00 -0.00 0.00 0.00 29.99 27.61 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 1.44 0.00 0.09 1.57 0.13 -1.98 0.18 132.00 133.43 1ugo h PRO 15 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 1ugo h PRO 15 Cb 0.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 1ugo h PRO 15 CO 0.00 0.00 -1.86 0.43 -0.23 0.00 0.00 178.00 176.34 1ugo n SER 16 N -2.84 2.06 -0.04 1.44 7.64 -1.26 -3.26 113.62 117.36 1ugo n SER 16 Ca 0.03 0.25 -0.14 0.00 1.01 0.00 0.00 58.87 60.02 1ugo n SER 16 Cb 0.39 -0.87 -0.09 0.00 -1.01 0.00 0.00 64.21 62.63 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 -0.21 1.43 -0.08 0.44 1.08 -1.68 -2.98 117.51 115.51 1ugo h ILE 17 Ca -0.42 -1.52 0.02 0.00 -0.39 0.00 0.00 64.86 62.55 1ugo h ILE 17 Cb 1.85 2.26 -0.00 0.00 -3.07 0.00 0.00 36.82 37.86 1ugo h ILE 17 CO -0.00 0.43 0.07 -1.28 -0.69 0.00 0.00 178.15 176.67 1ugo h SER 18 N -0.27 0.00 0.84 1.72 0.87 0.73 -2.51 113.55 114.93 1ugo h SER 18 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1ugo h SER 18 Cb 0.78 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1ugo h SER 18 CO 0.04 0.00 -0.40 -0.09 -0.53 0.00 0.00 176.83 175.84 1ugo h ARG 19 N 0.00 -1.08 -1.03 2.24 9.65 -1.50 -1.97 114.38 120.68 1ugo h ARG 19 Ca 0.04 0.07 0.26 0.00 -1.10 0.00 0.00 59.98 59.26 1ugo h ARG 19 Cb 0.17 0.25 -0.11 0.00 -1.39 0.00 0.00 29.97 28.89 1ugo h ARG 19 CO -0.00 -0.72 0.64 -0.07 2.80 0.00 0.00 179.97 182.62 1ugo h LEU 20 N -1.28 0.54 -1.65 3.80 3.38 -1.33 1.59 115.31 120.36 1ugo h LEU 20 Ca -0.11 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1ugo h LEU 20 Cb 0.87 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1ugo h LEU 20 CO 0.19 0.08 -0.18 1.56 0.09 0.00 0.00 178.44 180.18 1ugo h GLN 21 N 0.47 0.00 0.00 1.13 4.20 -1.18 1.64 115.11 121.37 1ugo h GLN 21 Ca 0.63 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.34 1ugo h GLN 21 Cb 1.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.20 1ugo h GLN 21 CO -0.38 0.18 -0.45 -1.91 -0.67 0.00 0.00 178.83 175.60 1ugo n GLU 22 N -4.26 0.17 -0.11 1.46 2.13 0.52 -3.44 120.64 117.11 1ugo n GLU 22 Ca -0.02 0.07 -0.19 0.00 0.66 0.00 0.00 57.16 57.67 1ugo n GLU 22 Cb 0.25 -1.63 -0.07 0.00 0.27 0.00 0.00 31.44 30.27 1ugo n GLU 22 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1ugo n ILE 23 N -1.89 1.51 -0.33 6.31 5.41 0.16 -4.05 119.36 126.48 1ugo n ILE 23 Ca 0.05 -0.12 0.20 0.00 1.00 0.00 0.00 62.75 63.88 1ugo n ILE 23 Cb 0.40 -2.12 0.41 0.00 -0.71 0.00 0.00 39.64 37.63 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 -1.00 0.35 -0.21 0.38 4.20 0.22 1.56 115.11 120.61 1ugo h GLN 24 Ca -0.35 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.29 1ugo h GLN 24 Cb 1.29 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 1ugo h GLN 24 CO -0.21 0.23 -0.09 0.07 -0.67 0.00 0.00 178.83 178.16 1ugo h ARG 25 N 0.36 0.33 0.32 1.46 0.11 -1.74 0.14 114.38 115.36 1ugo h ARG 25 Ca 0.67 -0.07 -0.02 0.00 0.10 0.00 0.00 59.98 60.66 1ugo h ARG 25 Cb 1.45 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.49 1ugo h ARG 25 CO -0.59 0.43 -0.15 0.93 0.10 0.00 0.00 179.97 180.69 1ugo h GLU 26 N 0.32 -0.42 -0.73 0.08 4.39 0.20 0.60 114.58 119.02 1ugo h GLU 26 Ca 0.07 0.03 0.18 0.00 0.34 0.00 0.00 59.36 59.97 1ugo h GLU 26 Cb 0.36 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1ugo h GLU 26 CO 0.02 -0.28 0.51 -0.39 -1.16 0.00 0.00 179.01 177.71 1ugo h VAL 27 N -0.88 0.71 0.06 3.13 -1.51 -0.99 0.65 116.25 117.43 1ugo h VAL 27 Ca -0.04 -0.07 -0.28 0.00 -1.23 0.00 0.00 66.70 65.08 1ugo h VAL 27 Cb 0.33 0.48 0.03 0.00 -2.13 0.00 0.00 31.29 30.00 1ugo h VAL 27 CO 0.07 0.04 -1.13 0.50 -1.23 0.00 0.00 177.57 175.83 1ugo h LYS 28 N 0.21 0.65 0.00 5.19 1.63 -0.72 0.88 116.57 124.41 1ugo h LYS 28 Ca 0.36 -0.78 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1ugo h LYS 28 Cb 1.10 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 1ugo h LYS 28 CO -0.07 1.35 0.00 0.00 -3.45 0.00 0.00 179.45 177.28 1ugo n ALA 29 N -2.66 1.81 0.07 5.00 0.00 0.21 -1.92 120.51 123.01 1ugo n ALA 29 Ca -0.12 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.29 1ugo n ALA 29 Cb 0.93 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.67 0.00 -0.11 0.00 -6.64 0.19 -4.66 119.36 106.47 1ugo n ILE 30 Ca 0.04 -0.50 -0.08 0.00 -1.77 0.00 0.00 62.75 60.44 1ugo n ILE 30 Cb 0.22 1.03 -0.00 0.00 -1.44 0.00 0.00 39.64 39.45 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 0.27 0.43 0.00 6.28 4.81 0.15 -0.84 114.58 125.68 1ugo h GLU 31 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1ugo h GLU 31 Cb 0.06 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1ugo h GLU 31 CO 0.00 0.28 0.00 -0.35 -0.73 0.00 0.00 179.01 178.21 1ugo n PRO 32 N -4.87 0.01 0.13 0.92 -0.04 -1.26 -1.59 135.00 128.31 1ugo n PRO 32 Ca 0.00 0.14 0.13 0.00 -0.04 0.00 0.00 63.50 63.72 1ugo n PRO 32 Cb 0.05 -1.52 0.35 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.43 -2.64 115.11 115.79 1ugo h GLN 33 Ca 0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1ugo h GLN 33 Cb 0.39 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 1ugo h GLN 33 CO 0.00 0.00 -1.76 1.33 -0.67 0.00 0.00 178.83 177.73 1ugo n VAL 34 N -2.46 0.76 -0.13 -0.54 0.24 -1.00 -3.94 118.33 111.27 1ugo n VAL 34 Ca 0.05 -0.38 -0.09 0.00 -2.04 0.00 0.00 64.34 61.89 1ugo n VAL 34 Cb 0.45 -0.85 -0.01 0.00 -1.47 0.00 0.00 33.84 31.97 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 0.00 1.17 -0.91 3.34 2.07 -1.37 -2.55 116.25 118.00 1ugo h VAL 35 Ca -0.30 -0.50 -0.50 0.00 0.82 0.00 0.00 66.70 66.22 1ugo h VAL 35 Cb 1.57 0.78 -0.28 0.00 -1.52 0.00 0.00 31.29 31.83 1ugo h VAL 35 CO -0.02 0.19 0.56 0.61 0.02 0.00 0.00 177.57 178.94 1ugo n GLY 36 N -0.87 4.84 3.86 2.17 0.00 -0.99 -4.96 105.19 109.24 1ugo n GLY 36 Ca -0.00 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.39 3.45 -0.23 1.61 5.36 -0.96 -4.97 117.98 118.85 1ugo s PHE 37 Ca 0.57 1.18 -0.03 0.00 -0.96 0.00 0.00 56.93 57.68 1ugo s PHE 37 Cb 0.47 -2.55 0.11 0.00 -0.34 0.00 0.00 43.02 40.72 1ugo s PHE 37 CO 0.07 -0.15 0.27 -1.12 -1.46 0.00 0.00 175.22 172.83 1ugo s SER 38 N -3.01 1.25 0.00 6.13 0.01 -1.26 -4.69 113.70 112.13 1ugo s SER 38 Ca 0.54 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1ugo s SER 38 Cb -0.10 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1ugo s SER 38 CO 0.29 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1ugo n GLY 39 N 5.32 4.07 3.05 3.44 0.00 -1.15 -5.07 105.19 114.85 1ugo n GLY 39 Ca -0.04 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.37 -5.00 0.99 4.77 -1.23 -4.16 117.00 111.00 1ugo n LEU 40 Ca 0.00 -0.40 -0.22 0.00 -0.03 0.00 0.00 56.01 55.36 1ugo n LEU 40 Cb 0.00 -0.79 0.09 0.00 -2.33 0.00 0.00 43.42 40.38 1ugo n LEU 40 CO 0.00 -3.32 0.46 -0.94 -1.33 0.00 0.00 177.39 172.26 1ugo s SER 41 N -2.03 4.68 -1.40 -1.43 1.04 -1.26 -4.47 113.70 108.83 1ugo s SER 41 Ca 0.39 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 56.28 1ugo s SER 41 Cb -0.07 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.04 1ugo s SER 41 CO 0.38 -1.62 0.14 0.47 0.98 0.00 0.00 173.24 173.59 1ugo n ASP 42 N -2.59 -0.15 -4.28 7.02 8.00 -1.26 -4.91 116.55 118.37 1ugo n ASP 42 Ca 0.14 -1.22 -0.15 0.00 0.71 0.00 0.00 54.79 54.27 1ugo n ASP 42 Cb 0.61 -1.51 -0.10 0.00 -0.02 0.00 0.00 41.12 40.10 1ugo n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ugo s ASP 43 N -4.16 1.47 -0.62 -2.24 2.15 -1.26 -5.01 116.67 106.99 1ugo s ASP 43 Ca 0.10 -1.21 -0.21 0.00 0.43 0.00 0.00 52.55 51.67 1ugo s ASP 43 Cb -0.06 0.08 -0.18 0.00 -0.30 0.00 0.00 42.92 42.46 1ugo s ASP 43 CO 0.95 -0.56 1.85 0.29 -0.17 0.00 0.00 175.17 177.53 1ugo n LYS 44 N -0.33 1.24 0.00 4.34 5.02 -1.26 -1.84 118.16 125.32 1ugo n LYS 44 Ca -0.05 -1.59 0.00 0.00 -2.02 0.00 0.00 58.31 54.64 1ugo n LYS 44 Cb 0.64 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.89 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 7.29 0.00 0.22 4.39 3.02 -1.26 -4.94 115.26 123.98 1ugo n ASN 45 Ca 0.47 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 55.12 1ugo n ASN 45 Cb 0.36 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 39.98 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 0.00 -0.17 3.10 5.03 -1.61 -3.06 116.97 120.26 1ugo h TYR 46 Ca 0.00 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1ugo h TYR 46 Cb 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 1ugo h TYR 46 CO 0.00 0.20 0.02 0.87 -1.32 0.00 0.00 178.16 177.93 1ugo h LYS 47 N 0.00 0.29 -0.32 1.82 1.79 -1.88 0.32 116.57 118.59 1ugo h LYS 47 Ca -0.00 -0.08 0.06 0.00 -2.18 0.00 0.00 60.65 58.44 1ugo h LYS 47 Cb 0.76 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.33 1ugo h LYS 47 CO 0.03 0.48 -0.02 -0.09 -1.08 0.00 0.00 179.45 178.76 1ugo h ARG 48 N 0.06 0.06 0.58 3.15 2.43 -1.83 1.42 114.38 120.24 1ugo h ARG 48 Ca 0.05 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1ugo h ARG 48 Cb 0.34 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1ugo h ARG 48 CO 0.01 0.04 -0.28 -0.07 -1.51 0.00 0.00 179.97 178.16 1ugo h LEU 49 N 0.07 -0.66 -0.29 3.80 3.38 -1.51 -1.01 115.31 119.09 1ugo h LEU 49 Ca 0.15 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1ugo h LEU 49 Cb 0.22 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1ugo h LEU 49 CO -0.28 -0.46 -0.33 -0.08 0.09 0.00 0.00 178.44 177.38 1ugo h GLU 50 N -0.79 -0.30 -0.75 1.13 4.81 -0.77 -0.84 114.58 117.07 1ugo h GLU 50 Ca -0.08 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.31 1ugo h GLU 50 Cb 0.59 0.07 -0.14 0.00 0.63 0.00 0.00 28.75 29.90 1ugo h GLU 50 CO 0.13 -0.20 -0.25 0.00 -0.73 0.00 0.00 179.01 177.96 1ugo h ARG 51 N -0.32 -0.04 0.04 1.92 2.47 0.20 1.20 114.38 119.84 1ugo h ARG 51 Ca 0.14 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.87 1ugo h ARG 51 Cb 0.54 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.83 1ugo h ARG 51 CO -0.47 -0.03 -0.40 0.82 0.56 0.00 0.00 179.97 180.46 1ugo h ILE 52 N -0.04 0.00 0.14 2.04 2.04 0.23 1.52 117.51 123.43 1ugo h ILE 52 Ca 0.34 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.21 1ugo h ILE 52 Cb 0.57 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1ugo h ILE 52 CO -0.79 0.00 -0.35 -0.07 0.00 0.00 0.00 178.15 176.94 1ugo h LEU 53 N -0.52 -1.03 -0.62 1.44 3.38 -0.43 0.73 115.31 118.25 1ugo h LEU 53 Ca 0.00 0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.22 1ugo h LEU 53 Cb 0.55 0.38 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 1ugo h LEU 53 CO -0.24 -0.44 -0.10 0.00 0.09 0.00 0.00 178.44 177.74 1ugo h THR 54 N -0.60 0.41 0.73 0.22 1.03 0.18 1.49 112.91 116.38 1ugo h THR 54 Ca 0.02 -0.01 -0.04 0.00 -0.01 0.00 0.00 66.41 66.38 1ugo h THR 54 Cb 0.62 0.37 0.01 0.00 -1.07 0.00 0.00 68.15 68.08 1ugo h THR 54 CO -0.20 0.01 -0.35 0.11 -0.01 0.00 0.00 175.52 175.08 1ugo h LYS 55 N 0.04 -0.95 -0.41 0.00 1.57 0.29 0.10 116.57 117.21 1ugo h LYS 55 Ca 0.31 0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.24 1ugo h LYS 55 Cb 0.49 0.22 -0.08 0.00 0.08 0.00 0.00 32.23 32.93 1ugo h LYS 55 CO -0.60 -0.62 -0.13 1.96 -0.57 0.00 0.00 179.45 179.48 1ugo h GLN 56 N -1.07 -0.04 0.33 3.15 1.08 0.14 -0.26 115.11 118.45 1ugo h GLN 56 Ca -0.10 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1ugo h GLN 56 Cb 0.77 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.18 1ugo h GLN 56 CO 0.17 -0.03 -0.47 1.25 -0.95 0.00 0.00 178.83 178.80 1ugo h LEU 57 N -0.04 -1.34 -1.95 1.46 7.12 0.22 0.31 115.31 121.08 1ugo h LEU 57 Ca 0.20 0.12 0.38 0.00 0.13 0.00 0.00 57.88 58.71 1ugo h LEU 57 Cb 0.35 0.46 -0.06 0.00 -0.53 0.00 0.00 40.66 40.88 1ugo h LEU 57 CO -0.44 -0.58 0.94 0.15 -0.13 0.00 0.00 178.44 178.38 1ugo h PHE 58 N -0.84 0.05 -0.01 1.25 3.04 -0.20 1.73 116.94 121.95 1ugo h PHE 58 Ca -0.04 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.75 1ugo h PHE 58 Cb 0.76 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.24 1ugo h PHE 58 CO -0.31 -0.00 -0.73 0.93 -2.02 0.00 0.00 178.31 176.17 1ugo h GLU 59 N 0.02 0.10 -0.06 1.11 4.39 0.79 -0.83 114.58 120.10 1ugo h GLU 59 Ca 0.64 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 60.24 1ugo h GLU 59 Cb 2.49 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 31.16 1ugo h GLU 59 CO -0.03 0.79 0.03 0.82 -1.16 0.00 0.00 179.01 179.46 1ugo h ILE 60 N 0.07 1.10 -0.20 3.13 2.04 0.40 -0.68 117.51 123.37 1ugo h ILE 60 Ca -0.02 -0.29 -0.14 0.00 1.00 0.00 0.00 64.86 65.42 1ugo h ILE 60 Cb 1.29 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1ugo h ILE 60 CO 0.10 0.08 -0.45 -0.78 0.00 0.00 0.00 178.15 177.11 1ugo h ASP 61 N -0.01 0.54 0.40 1.72 1.82 -1.45 -3.20 116.42 116.23 1ugo h ASP 61 Ca 0.02 -0.25 -0.01 0.00 -0.39 0.00 0.00 57.03 56.40 1ugo h ASP 61 Cb 0.11 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 39.94 1ugo h ASP 61 CO -0.00 0.92 -0.47 -1.28 -1.61 0.00 0.00 179.24 176.79 1ugo h SER 62 N 0.41 -1.31 -0.57 2.28 0.87 -0.78 -3.41 113.55 111.04 1ugo h SER 62 Ca 0.03 0.11 -0.82 0.00 -1.23 0.00 0.00 61.79 59.89 1ugo h SER 62 Cb 0.95 0.45 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 1ugo h SER 62 CO 0.08 -0.61 1.02 0.52 -0.53 0.00 0.00 176.83 177.31 1ugo n VAL 63 N -5.53 0.02 -0.55 2.23 0.31 -0.30 -4.84 118.33 109.67 1ugo n VAL 63 Ca -0.11 -0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 63.92 1ugo n VAL 63 Cb 0.43 -0.57 0.22 0.00 -0.91 0.00 0.00 33.84 33.01 1ugo n VAL 63 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ugo n ASP 64 N 5.89 -1.06 0.00 4.52 2.03 -1.26 -4.98 116.55 121.68 1ugo n ASP 64 Ca 0.42 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1ugo n ASP 64 Cb -0.03 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.04 1ugo n ASP 64 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ugo n THR 65 N -4.71 0.00 -2.87 5.18 -2.24 -1.26 -4.90 114.28 103.48 1ugo n THR 65 Ca 0.06 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1ugo n THR 65 Cb 0.53 -0.60 0.04 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.49 -3.41 -3.91 -0.78 2.13 -1.26 -3.76 120.64 107.17 1ugo n GLU 66 Ca 0.00 0.38 -0.35 0.00 0.66 0.00 0.00 57.16 57.85 1ugo n GLU 66 Cb 0.08 -4.03 0.01 0.00 0.27 0.00 0.00 31.44 27.77 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 -1.14 -0.94 0.01 8.31 0.00 -1.26 -4.85 105.19 105.32 1ugo n GLY 67 Ca -0.04 0.41 0.04 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.77 0.54 0.00 1.61 5.02 -1.25 -5.02 118.16 115.29 1ugo n LYS 68 Ca -0.18 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 1ugo n LYS 68 Cb 0.56 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 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 1.96 2.05 0.45 0.72 0.00 -1.26 -4.51 105.19 104.60 1ugo n GLY 69 Ca -0.03 -0.02 0.39 0.00 0.00 0.00 0.00 46.02 46.35 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 4.00 0.21 -0.10 1.61 8.00 -1.26 0.23 116.55 129.23 1ugo n ASP 70 Ca 0.00 1.35 -0.18 0.00 0.71 0.00 0.00 54.79 56.66 1ugo n ASP 70 Cb 0.00 -0.66 -0.08 0.00 -0.02 0.00 0.00 41.12 40.36 1ugo n ASP 70 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ugo n ILE 71 N -4.66 1.50 -0.23 0.53 5.41 -1.26 -3.80 119.36 116.85 1ugo n ILE 71 Ca 0.39 -0.02 0.03 0.00 1.00 0.00 0.00 62.75 64.14 1ugo n ILE 71 Cb 1.51 -2.12 0.12 0.00 -0.71 0.00 0.00 39.64 38.44 1ugo n ILE 71 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1ugo h GLN 72 N -1.00 0.09 -0.11 0.38 -0.00 -1.07 0.46 115.11 113.86 1ugo h GLN 72 Ca -0.31 -0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.38 1ugo h GLN 72 Cb 1.15 -0.02 -0.05 0.00 0.00 0.00 0.00 27.48 28.56 1ugo h GLN 72 CO -0.19 0.06 -0.20 1.96 0.00 0.00 0.00 178.83 180.46 1ugo h GLN 73 N 0.09 -0.25 -0.05 1.69 4.20 0.26 0.16 115.11 121.22 1ugo h GLN 73 Ca 0.36 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.13 1ugo h GLN 73 Cb 0.61 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 1ugo h GLN 73 CO -0.61 -0.17 -0.35 0.00 -0.67 0.00 0.00 178.83 177.03 1ugo h ALA 74 N 0.73 -0.50 -0.97 3.87 0.00 -1.09 0.19 119.26 121.48 1ugo h ALA 74 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ugo h ALA 74 Cb 0.40 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ugo h ALA 74 CO -0.27 -0.86 0.00 -2.13 0.00 0.00 0.00 179.25 175.99 1ugo n ARG 75 N -5.42 0.00 -0.38 0.00 0.63 -0.12 0.19 116.66 111.57 1ugo n ARG 75 Ca -0.05 0.60 0.35 0.00 -0.92 0.00 0.00 57.85 57.84 1ugo n ARG 75 Cb 0.34 -1.34 0.62 0.00 0.45 0.00 0.00 32.46 32.53 1ugo n ARG 75 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1ugo n LYS 76 N -1.96 -0.05 -0.04 -0.14 2.85 -0.00 0.20 118.16 119.02 1ugo n LYS 76 Ca 0.00 1.31 -0.13 0.00 -1.05 0.00 0.00 58.31 58.45 1ugo n LYS 76 Cb 0.00 -2.45 -0.08 0.00 -0.65 0.00 0.00 35.03 31.85 1ugo n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ugo h ARG 77 N 0.00 0.20 -0.13 -1.58 2.47 0.11 -2.81 114.38 112.64 1ugo h ARG 77 Ca 0.85 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 59.46 1ugo h ARG 77 Cb 2.46 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 30.77 1ugo h ARG 77 CO -0.64 0.59 -0.00 0.00 0.56 0.00 0.00 179.97 180.48 1ugo h ALA 78 N 0.60 0.18 -0.86 0.04 0.00 1.38 -2.83 119.26 117.77 1ugo h ALA 78 Ca 0.02 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.88 1ugo h ALA 78 Cb 0.55 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.14 1ugo h ALA 78 CO 0.02 -0.12 -0.36 0.00 0.00 0.00 0.00 179.25 178.79 1ugo h ALA 79 N 0.75 0.13 -0.35 0.00 0.00 0.23 0.55 119.26 120.58 1ugo h ALA 79 Ca 0.04 0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1ugo h ALA 79 Cb 0.37 0.91 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1ugo h ALA 79 CO 0.01 -0.62 -0.02 1.96 0.00 0.00 0.00 179.25 180.58 1ugo h GLN 80 N -0.05 0.07 -0.13 0.00 4.20 -1.39 -1.95 115.11 115.86 1ugo h GLN 80 Ca 0.32 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.05 1ugo h GLN 80 Cb 0.59 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 1ugo h GLN 80 CO -0.89 0.05 -0.45 1.49 -0.67 0.00 0.00 178.83 178.36 1ugo h GLU 81 N 0.08 -0.45 -0.46 1.46 4.81 0.29 0.39 114.58 120.69 1ugo h GLU 81 Ca 0.17 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1ugo h GLU 81 Cb 0.24 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.65 1ugo h GLU 81 CO -0.31 -0.30 -0.51 1.15 -0.73 0.00 0.00 179.01 178.31 1ugo h THR 82 N -0.47 0.00 -0.56 0.32 2.02 -0.78 0.10 112.91 113.55 1ugo h THR 82 Ca 0.03 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.32 1ugo h THR 82 Cb 0.56 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.86 1ugo h THR 82 CO -0.37 0.00 -0.15 -0.33 0.37 0.00 0.00 175.52 175.04 1ugo h GLU 83 N -0.30 -0.01 -0.96 6.66 5.08 -0.86 -0.24 114.58 123.95 1ugo h GLU 83 Ca 0.08 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.61 1ugo h GLU 83 Cb 0.51 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.59 1ugo h GLU 83 CO -0.59 -0.00 -0.31 -2.13 -1.00 0.00 0.00 179.01 174.98 1ugo n ARG 84 N -5.40 -0.16 0.23 2.33 3.00 0.13 -0.00 116.66 116.79 1ugo n ARG 84 Ca 0.06 1.49 -0.15 0.00 -0.00 0.00 0.00 57.85 59.25 1ugo n ARG 84 Cb 0.30 -2.22 -0.08 0.00 0.00 0.00 0.00 32.46 30.46 1ugo n ARG 84 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1ugo h LEU 85 N 0.00 -0.48 -0.99 6.15 -0.00 -0.63 -2.89 115.31 116.48 1ugo h LEU 85 Ca 0.40 -0.08 0.22 0.00 -0.00 0.00 0.00 57.88 58.42 1ugo h LEU 85 Cb 0.64 0.12 -0.19 0.00 -0.00 0.00 0.00 40.66 41.24 1ugo h LEU 85 CO -0.97 -0.20 -0.17 0.25 -0.00 0.00 0.00 178.44 177.35 1ugo h LEU 86 N -0.76 -0.79 0.01 1.67 6.46 0.53 0.41 115.31 122.83 1ugo h LEU 86 Ca -0.06 0.29 0.02 0.00 -0.12 0.00 0.00 57.88 58.01 1ugo h LEU 86 Cb 0.53 0.58 -0.05 0.00 -0.73 0.00 0.00 40.66 40.98 1ugo h LEU 86 CO 0.09 -0.33 -0.48 0.11 -0.62 0.00 0.00 178.44 177.21 1ugo h LYS 87 N 0.00 -0.59 -0.54 1.25 1.79 -0.23 -1.65 116.57 116.60 1ugo h LYS 87 Ca 0.51 0.04 0.10 0.00 -2.18 0.00 0.00 60.65 59.12 1ugo h LYS 87 Cb 0.86 0.13 -0.11 0.00 -1.58 0.00 0.00 32.23 31.54 1ugo h LYS 87 CO -0.99 -0.39 -0.28 0.93 -1.08 0.00 0.00 179.45 177.64 1ugo h GLU 88 N -0.61 -0.14 -0.83 3.15 4.39 -0.10 -1.02 114.58 119.41 1ugo h GLU 88 Ca 0.01 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.80 1ugo h GLU 88 Cb 0.65 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.23 1ugo h GLU 88 CO -0.32 -0.09 -0.55 1.25 -1.16 0.00 0.00 179.01 178.14 1ugo h LEU 89 N -0.14 -2.00 -0.72 1.33 5.85 -0.15 1.51 115.31 120.99 1ugo h LEU 89 Ca 0.24 0.30 0.07 0.00 0.84 0.00 0.00 57.88 59.33 1ugo h LEU 89 Cb 0.52 0.87 -0.10 0.00 0.37 0.00 0.00 40.66 42.32 1ugo h LEU 89 CO -0.63 -0.25 -0.56 -0.33 -0.34 0.00 0.00 178.44 176.33 1ugo h GLU 90 N -0.08 -0.18 0.52 1.25 5.08 -0.34 0.80 114.58 121.63 1ugo h GLU 90 Ca 0.13 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1ugo h GLU 90 Cb 0.42 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1ugo h GLU 90 CO -0.82 -0.12 -0.25 1.96 -1.00 0.00 0.00 179.01 178.78 1ugo h GLN 91 N -0.19 -0.67 -1.89 2.33 1.08 -0.49 -2.24 115.11 113.05 1ugo h GLN 91 Ca 0.13 0.05 0.56 0.00 -1.45 0.00 0.00 58.65 57.94 1ugo h GLN 91 Cb 0.51 0.15 -0.09 0.00 -0.05 0.00 0.00 27.48 28.00 1ugo h GLN 91 CO -0.78 -0.45 1.34 0.09 -0.95 0.00 0.00 178.83 178.08 1ugo n ASN 92 N -3.91 0.04 0.00 1.46 3.02 0.49 -0.61 115.26 115.75 1ugo n ASN 92 Ca -0.09 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 1ugo n ASN 92 Cb 0.27 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 1ugo n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ugo n ALA 93 N -2.85 -0.22 0.00 5.41 0.00 0.27 -4.33 120.51 118.78 1ugo n ALA 93 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1ugo n ALA 93 Cb 1.95 0.18 0.00 0.00 0.00 0.00 0.00 19.45 21.59 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 -2.00 0.00 0.00 0.00 2.88 0.22 -2.93 113.62 111.79 1ugo n SER 94 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ugo n SER 94 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ugo n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugo n GLY 95 N 0.00 0.26 3.81 0.46 0.00 -1.25 -5.03 105.19 103.44 1ugo n GLY 95 Ca 0.00 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 1ugo n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugo s PRO 96 N -2.00 2.32 0.06 1.61 0.04 -1.26 -4.71 135.00 131.06 1ugo s PRO 96 Ca 0.00 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1ugo s PRO 96 Cb 0.00 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1ugo s PRO 96 CO 0.00 -1.48 -0.05 0.45 0.04 0.00 0.00 177.00 175.97 1ugo s SER 97 N -3.87 0.69 0.28 6.66 0.15 -1.26 -5.06 113.70 111.30 1ugo s SER 97 Ca 0.60 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1ugo s SER 97 Cb -0.14 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1ugo s SER 97 CO 0.54 -0.44 0.00 -1.20 1.20 0.00 0.00 173.24 173.34 1ugo n SER 98 N 0.56 -1.07 0.00 5.45 7.64 -1.26 -5.23 113.62 119.72 1ugo n SER 98 Ca -0.17 0.50 0.05 0.00 1.01 0.00 0.00 58.87 60.26 1ugo n SER 98 Cb 0.59 1.16 0.29 0.00 -1.01 0.00 0.00 64.21 65.24 1ugo n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64