#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugi h ASN 3 N 0.00 0.77 -0.28 1.09 7.08 -2.05 0.35 115.58 122.55 1ugi h ASN 3 Ca 0.00 -0.19 -0.13 0.00 -3.08 0.00 0.00 56.30 52.90 1ugi h ASN 3 Cb 0.00 -0.21 -0.00 0.00 -2.08 0.00 0.00 38.32 36.03 1ugi h ASN 3 CO 0.00 0.85 -0.32 -0.07 -2.08 0.00 0.00 177.43 175.81 1ugi h LEU 4 N 0.74 0.76 -0.94 6.14 3.38 -2.01 0.98 115.31 124.36 1ugi h LEU 4 Ca 0.14 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1ugi h LEU 4 Cb 0.48 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1ugi h LEU 4 CO 0.02 1.10 0.19 -1.28 0.09 0.00 0.00 178.44 178.55 1ugi h SER 5 N 0.44 0.89 -0.68 -0.43 0.87 -1.82 -0.36 113.55 112.46 1ugi h SER 5 Ca 0.04 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1ugi h SER 5 Cb 0.90 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 1ugi h SER 5 CO 0.08 0.84 0.45 0.44 -0.53 0.00 0.00 176.83 178.11 1ugi h ASP 6 N 0.92 0.77 -0.47 6.23 3.32 0.02 1.09 116.42 128.30 1ugi h ASP 6 Ca 0.20 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1ugi h ASP 6 Cb 0.28 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1ugi h ASP 6 CO -0.01 0.55 0.08 0.40 -1.72 0.00 0.00 179.24 178.55 1ugi h ILE 7 N 0.91 1.25 -0.46 0.35 2.04 0.43 0.56 117.51 122.58 1ugi h ILE 7 Ca 0.25 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 1ugi h ILE 7 Cb -0.08 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1ugi h ILE 7 CO -0.06 0.32 0.08 0.40 0.00 0.00 0.00 178.15 178.89 1ugi h ILE 8 N 0.65 1.24 -0.78 -0.67 2.04 -0.29 -0.91 117.51 118.79 1ugi h ILE 8 Ca 0.14 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 1ugi h ILE 8 Cb 0.39 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1ugi h ILE 8 CO 0.01 0.31 0.42 -0.08 0.00 0.00 0.00 178.15 178.82 1ugi h GLU 9 N 0.63 1.08 0.00 2.37 4.81 0.16 0.28 114.58 123.91 1ugi h GLU 9 Ca 0.14 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1ugi h GLU 9 Cb 0.38 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1ugi h GLU 9 CO 0.01 0.80 -0.17 -0.22 -0.73 0.00 0.00 179.01 178.70 1ugi h LYS 10 N 1.08 0.00 0.00 1.92 3.64 0.65 0.46 116.57 124.32 1ugi h LYS 10 Ca 0.27 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1ugi h LYS 10 Cb 0.04 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1ugi h LYS 10 CO -0.04 0.17 -1.86 0.39 -2.27 0.00 0.00 179.45 175.85 1ugi n GLU 11 N -3.61 0.65 0.00 1.90 -0.58 -0.40 -4.60 120.64 114.00 1ugi n GLU 11 Ca -0.01 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1ugi n GLU 11 Cb 0.31 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 1ugi n GLU 11 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ugi n THR 12 N -2.36 0.00 0.00 2.62 -2.24 0.03 -5.05 114.28 107.27 1ugi n THR 12 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ugi n THR 12 Cb 0.60 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1ugi n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugi n GLY 13 N 2.10 2.43 3.68 3.38 0.00 0.16 -5.04 105.19 111.90 1ugi n GLY 13 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1ugi n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ugi s LYS 14 N -0.79 2.69 -0.62 1.61 2.36 -1.26 -4.99 119.74 118.74 1ugi s LYS 14 Ca 0.00 -0.70 -0.26 0.00 -2.55 0.00 0.00 55.97 52.46 1ugi s LYS 14 Cb 0.00 -2.61 0.04 0.00 -1.05 0.00 0.00 37.83 34.21 1ugi s LYS 14 CO 0.00 0.59 1.10 -1.14 1.55 0.00 0.00 175.35 177.45 1ugi s GLN 15 N -1.83 3.31 0.41 4.03 -0.44 -1.26 -3.70 119.66 120.19 1ugi s GLN 15 Ca 0.22 -0.20 0.07 0.00 -2.50 0.00 0.00 55.36 52.95 1ugi s GLN 15 Cb -0.12 -4.10 -0.05 0.00 -1.64 0.00 0.00 33.01 27.10 1ugi s GLN 15 CO 0.13 -1.75 0.17 -0.51 0.50 0.00 0.00 175.29 173.83 1ugi s LEU 16 N 4.69 3.11 -0.23 3.68 1.43 -1.26 -5.10 118.68 124.99 1ugi s LEU 16 Ca 0.34 -1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 52.24 1ugi s LEU 16 Cb -0.11 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 1ugi s LEU 16 CO 0.19 -0.54 0.15 -0.69 0.23 0.00 0.00 176.35 175.68 1ugi s VAL 17 N -2.61 5.34 -0.05 -1.59 1.01 -1.26 -4.89 120.40 116.35 1ugi s VAL 17 Ca 0.41 0.17 -0.18 0.00 0.00 0.00 0.00 61.98 62.38 1ugi s VAL 17 Cb 0.04 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1ugi s VAL 17 CO 0.22 0.37 0.49 -0.63 0.00 0.00 0.00 175.10 175.56 1ugi s ILE 18 N 0.88 5.06 0.54 2.22 -1.09 -1.26 -4.22 121.20 123.32 1ugi s ILE 18 Ca 0.07 1.01 -0.03 0.00 -2.23 0.00 0.00 60.65 59.47 1ugi s ILE 18 Cb -0.13 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.93 1ugi s ILE 18 CO 0.03 0.42 0.81 -1.10 -1.23 0.00 0.00 174.94 173.87 1ugi s GLN 19 N -0.07 2.95 0.10 2.79 -1.52 0.20 -4.95 119.66 119.16 1ugi s GLN 19 Ca 0.27 -0.22 -0.35 0.00 -1.95 0.00 0.00 55.36 53.11 1ugi s GLN 19 Cb -0.16 -2.38 -0.15 0.00 -0.22 0.00 0.00 33.01 30.09 1ugi s GLN 19 CO 0.13 -0.55 1.48 0.39 -0.25 0.00 0.00 175.29 176.49 1ugi n GLU 20 N -2.39 1.64 -1.57 2.91 -0.58 -1.26 -4.36 120.64 115.02 1ugi n GLU 20 Ca 0.04 0.59 -0.35 0.00 -0.42 0.00 0.00 57.16 57.02 1ugi n GLU 20 Cb 0.58 -2.30 0.08 0.00 -0.57 0.00 0.00 31.44 29.23 1ugi n GLU 20 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ugi s SER 21 N 0.90 4.45 -0.10 1.62 1.04 -1.26 -4.78 113.70 115.57 1ugi s SER 21 Ca 0.83 2.35 0.04 0.00 0.48 0.00 0.00 55.95 59.65 1ugi s SER 21 Cb -0.82 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 62.71 1ugi s SER 21 CO 0.43 -2.09 -0.23 -0.63 0.98 0.00 0.00 173.24 171.70 1ugi s ILE 22 N -1.90 2.00 0.18 -1.02 1.01 -0.75 -4.94 121.20 115.78 1ugi s ILE 22 Ca 0.75 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 60.12 1ugi s ILE 22 Cb -0.29 -1.73 -0.07 0.00 0.01 0.00 0.00 42.46 40.37 1ugi s ILE 22 CO 0.43 0.55 0.95 -0.22 0.00 0.00 0.00 174.94 176.65 1ugi s LEU 23 N 0.40 4.57 -0.03 2.97 0.20 -1.26 -0.83 118.68 124.70 1ugi s LEU 23 Ca -0.18 1.88 0.05 0.00 0.69 0.00 0.00 54.13 56.56 1ugi s LEU 23 Cb -0.18 -3.60 -0.01 0.00 -0.43 0.00 0.00 46.19 41.98 1ugi s LEU 23 CO 0.08 0.04 -0.17 -0.04 -0.29 0.00 0.00 176.35 175.97 1ugi s MET 24 N -0.59 1.65 0.49 1.98 -1.94 0.39 -4.97 119.30 116.30 1ugi s MET 24 Ca 0.44 -0.60 -0.19 0.00 -1.71 0.00 0.00 55.69 53.63 1ugi s MET 24 Cb -0.25 -1.47 -0.09 0.00 2.01 0.00 0.00 34.83 35.03 1ugi s MET 24 CO 0.31 0.27 0.99 -0.51 -0.01 0.00 0.00 175.02 176.07 1ugi s LEU 25 N -0.08 3.76 0.45 -0.03 1.43 -1.26 -0.86 118.68 122.09 1ugi s LEU 25 Ca -0.01 1.69 0.22 0.00 -1.03 0.00 0.00 54.13 55.00 1ugi s LEU 25 Cb -0.10 -4.53 1.20 0.00 0.03 0.00 0.00 46.19 42.79 1ugi s LEU 25 CO 0.01 -0.59 1.85 -0.65 0.23 0.00 0.00 176.35 177.20 1ugi h PRO 26 N 1.33 0.29 0.00 1.29 0.11 -1.88 -0.84 132.00 132.30 1ugi h PRO 26 Ca -0.48 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1ugi h PRO 26 Cb 1.19 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1ugi h PRO 26 CO 0.60 0.19 -0.74 0.93 -0.21 0.00 0.00 178.00 178.78 1ugi h GLU 27 N 0.29 0.00 -0.07 1.05 3.07 -1.93 0.12 114.58 117.11 1ugi h GLU 27 Ca 0.48 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.33 1ugi h GLU 27 Cb 1.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.29 1ugi h GLU 27 CO -0.15 0.64 -0.01 0.93 -1.40 0.00 0.00 179.01 179.01 1ugi h GLU 28 N 0.00 0.14 0.00 2.33 5.08 -1.57 -2.73 114.58 117.83 1ugi h GLU 28 Ca -0.02 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1ugi h GLU 28 Cb 1.53 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 1ugi h GLU 28 CO 0.08 0.45 -0.56 -0.39 -1.00 0.00 0.00 179.01 177.60 1ugi h VAL 29 N -0.19 1.17 -0.83 3.13 -1.51 -1.18 -2.67 116.25 114.16 1ugi h VAL 29 Ca 0.02 -2.07 0.05 0.00 -1.23 0.00 0.00 66.70 63.47 1ugi h VAL 29 Cb 0.40 2.19 -0.05 0.00 -2.13 0.00 0.00 31.29 31.71 1ugi h VAL 29 CO 0.01 0.55 0.54 -0.08 -1.23 0.00 0.00 177.57 177.36 1ugi h GLU 30 N 0.00 0.93 -0.79 5.19 4.81 -0.97 0.60 114.58 124.36 1ugi h GLU 30 Ca -0.01 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1ugi h GLU 30 Cb 1.15 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1ugi h GLU 30 CO 0.07 0.61 0.30 1.49 -0.73 0.00 0.00 179.01 180.75 1ugi h GLU 31 N 0.96 1.19 -0.11 1.92 4.57 -1.15 0.29 114.58 122.24 1ugi h GLU 31 Ca 0.35 -0.23 -0.18 0.00 -1.18 0.00 0.00 59.36 58.12 1ugi h GLU 31 Cb 0.16 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1ugi h GLU 31 CO -0.12 0.97 -0.65 0.28 -1.18 0.00 0.00 179.01 178.31 1ugi h VAL 32 N 1.15 1.33 0.00 0.32 2.07 -1.11 -3.39 116.25 116.62 1ugi h VAL 32 Ca 0.26 -1.93 -0.36 0.00 0.82 0.00 0.00 66.70 65.49 1ugi h VAL 32 Cb 0.24 2.15 -0.07 0.00 -1.52 0.00 0.00 31.29 32.10 1ugi h VAL 32 CO -0.02 0.59 -2.32 -0.38 0.02 0.00 0.00 177.57 175.46 1ugi n ILE 33 N -4.09 1.42 -0.65 4.57 2.08 0.09 -5.01 119.36 117.77 1ugi n ILE 33 Ca -0.08 -0.84 0.00 0.00 0.56 0.00 0.00 62.75 62.39 1ugi n ILE 33 Cb 0.68 -0.58 0.00 0.00 -0.75 0.00 0.00 39.64 38.99 1ugi n ILE 33 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ugi n GLY 34 N 1.76 0.64 2.92 7.39 0.00 0.08 -5.06 105.19 112.93 1ugi n GLY 34 Ca -0.32 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 1ugi n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ugi s ASN 35 N -2.27 0.25 -0.26 1.61 -0.87 -1.26 -5.08 114.94 107.06 1ugi s ASN 35 Ca 0.00 -0.12 -0.11 0.00 -1.57 0.00 0.00 52.86 51.07 1ugi s ASN 35 Cb 0.00 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.25 41.17 1ugi s ASN 35 CO 0.00 -0.03 0.18 -0.75 -2.57 0.00 0.00 177.10 173.93 1ugi s LYS 36 N -0.29 4.01 0.65 -0.60 2.20 -1.26 -3.79 119.74 120.66 1ugi s LYS 36 Ca -0.02 -0.29 -0.14 0.00 -0.36 0.00 0.00 55.97 55.16 1ugi s LYS 36 Cb -0.02 -3.60 -0.01 0.00 -1.51 0.00 0.00 37.83 32.69 1ugi s LYS 36 CO -0.00 -0.06 1.07 -1.25 -0.36 0.00 0.00 175.35 174.75 1ugi s PRO 37 N 1.42 3.00 0.43 4.03 0.04 -1.26 -4.94 135.00 137.72 1ugi s PRO 37 Ca 0.07 1.19 0.12 0.00 0.04 0.00 0.00 61.00 62.42 1ugi s PRO 37 Cb -0.15 -1.99 0.99 0.00 0.04 0.00 0.00 34.50 33.39 1ugi s PRO 37 CO 0.08 -1.07 2.01 1.05 0.04 0.00 0.00 177.00 179.11 1ugi h GLU 38 N -0.07 0.42 0.00 4.56 9.09 -1.98 -3.46 114.58 123.15 1ugi h GLU 38 Ca -0.46 -0.03 -0.10 0.00 0.05 0.00 0.00 59.36 58.83 1ugi h GLU 38 Cb 1.23 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 28.21 1ugi h GLU 38 CO 0.56 0.28 -0.02 0.45 0.05 0.00 0.00 179.01 180.33 1ugi n SER 39 N -4.47 -0.68 -4.54 3.06 2.88 -1.26 -5.08 113.62 103.52 1ugi n SER 39 Ca 0.07 -1.79 -0.38 0.00 -1.33 0.00 0.00 58.87 55.45 1ugi n SER 39 Cb 0.27 1.23 0.05 0.00 -0.75 0.00 0.00 64.21 65.00 1ugi n SER 39 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ugi n ASP 40 N -1.76 -0.19 -4.41 -3.46 8.00 -1.26 -4.48 116.55 108.99 1ugi n ASP 40 Ca -0.01 0.76 -0.31 0.00 0.71 0.00 0.00 54.79 55.94 1ugi n ASP 40 Cb 0.25 -1.28 -0.13 0.00 -0.02 0.00 0.00 41.12 39.94 1ugi n ASP 40 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ugi s ILE 41 N -1.63 2.56 -0.19 0.53 -1.09 -0.04 -3.61 121.20 117.72 1ugi s ILE 41 Ca 0.73 -1.23 -0.07 0.00 -2.23 0.00 0.00 60.65 57.84 1ugi s ILE 41 Cb -0.42 -2.04 -0.04 0.00 -1.58 0.00 0.00 42.46 38.38 1ugi s ILE 41 CO 0.50 0.37 0.05 -0.76 -1.23 0.00 0.00 174.94 173.87 1ugi s LEU 42 N -1.31 3.66 -0.26 2.97 1.43 0.16 -0.47 118.68 124.86 1ugi s LEU 42 Ca 0.13 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 1ugi s LEU 42 Cb -0.10 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 1ugi s LEU 42 CO 0.04 0.13 0.18 -0.69 0.23 0.00 0.00 176.35 176.23 1ugi s VAL 43 N 0.64 5.33 -0.34 -1.59 1.01 -0.01 -1.29 120.40 124.15 1ugi s VAL 43 Ca 0.02 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 1ugi s VAL 43 Cb -0.13 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.77 1ugi s VAL 43 CO 0.02 0.29 0.11 -1.00 0.00 0.00 0.00 175.10 174.53 1ugi s HIS 44 N 1.43 3.26 0.04 5.22 0.09 0.46 -1.80 115.29 123.99 1ugi s HIS 44 Ca 0.07 -1.41 0.00 0.00 -0.00 0.00 0.00 55.06 53.73 1ugi s HIS 44 Cb -0.15 -2.31 -0.04 0.00 -0.00 0.00 0.00 32.58 30.08 1ugi s HIS 44 CO 0.08 -0.73 0.14 0.99 -0.00 0.00 0.00 174.74 175.22 1ugi s THR 45 N 1.41 5.00 -0.14 1.30 2.01 -1.26 0.11 115.64 124.07 1ugi s THR 45 Ca -0.01 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 1ugi s THR 45 Cb -0.20 -3.39 0.07 0.00 0.01 0.00 0.00 72.50 69.00 1ugi s THR 45 CO 0.03 0.21 0.28 0.00 -0.69 0.00 0.00 174.62 174.45 1ugi s ALA 46 N -1.38 -0.63 0.07 7.40 0.00 -0.34 0.61 121.76 127.49 1ugi s ALA 46 Ca 0.30 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 53.02 1ugi s ALA 46 Cb -0.12 -1.04 -0.06 0.00 0.00 0.00 0.00 23.12 21.89 1ugi s ALA 46 CO 0.22 -0.64 0.73 -0.47 0.00 0.00 0.00 175.76 175.59 1ugi s TYR 47 N 2.41 3.77 -0.41 0.00 5.04 -1.26 -0.78 117.35 126.12 1ugi s TYR 47 Ca 0.01 1.45 -0.04 0.00 -2.44 0.00 0.00 57.07 56.05 1ugi s TYR 47 Cb -0.12 -2.75 0.10 0.00 0.35 0.00 0.00 41.96 39.55 1ugi s TYR 47 CO -0.09 0.37 0.21 0.34 -1.34 0.00 0.00 175.55 175.03 1ugi s ASP 48 N -0.42 5.30 0.46 4.32 -1.08 0.69 -4.70 116.67 121.25 1ugi s ASP 48 Ca 0.36 -1.92 0.17 0.00 -0.52 0.00 0.00 52.55 50.64 1ugi s ASP 48 Cb -0.21 -1.85 1.13 0.00 -1.46 0.00 0.00 42.92 40.53 1ugi s ASP 48 CO 0.22 -0.54 1.98 -0.33 0.52 0.00 0.00 175.17 177.03 1ugi h GLU 49 N 8.11 0.29 0.00 4.34 5.08 -1.96 -0.05 114.58 130.39 1ugi h GLU 49 Ca -0.15 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1ugi h GLU 49 Cb 1.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1ugi h GLU 49 CO 0.71 0.19 -0.27 0.66 -1.00 0.00 0.00 179.01 179.30 1ugi h SER 50 N 0.29 0.00 -0.00 1.42 4.64 -1.95 -3.18 113.55 114.77 1ugi h SER 50 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1ugi h SER 50 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1ugi h SER 50 CO -0.06 0.27 -0.07 0.35 -0.87 0.00 0.00 176.83 176.44 1ugi n THR 51 N -3.52 0.00 -3.55 2.95 -2.24 -1.11 -5.00 114.28 101.81 1ugi n THR 51 Ca -0.00 -0.46 -0.22 0.00 -2.27 0.00 0.00 64.05 61.10 1ugi n THR 51 Cb 0.42 1.01 0.08 0.00 -2.10 0.00 0.00 70.33 69.74 1ugi n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ugi n ASP 52 N -0.79 -4.80 -4.48 3.42 2.03 -0.09 -4.81 116.55 107.02 1ugi n ASP 52 Ca 0.01 -0.57 -0.26 0.00 0.52 0.00 0.00 54.79 54.48 1ugi n ASP 52 Cb 0.04 -5.05 -0.11 0.00 -0.72 0.00 0.00 41.12 35.29 1ugi n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ugi s GLU 53 N -5.98 1.73 -0.12 -0.67 2.02 -0.83 -3.46 118.70 111.38 1ugi s GLU 53 Ca 0.38 -1.49 -0.01 0.00 0.02 0.00 0.00 54.97 53.86 1ugi s GLU 53 Cb -0.17 -1.93 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 1ugi s GLU 53 CO 0.73 0.39 -0.08 -0.80 0.02 0.00 0.00 175.26 175.53 1ugi s ASN 54 N -2.91 4.51 -0.18 -0.19 -0.87 -0.22 -0.22 114.94 114.85 1ugi s ASN 54 Ca 0.24 -0.15 -0.06 0.00 -1.57 0.00 0.00 52.86 51.32 1ugi s ASN 54 Cb -0.08 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.25 39.63 1ugi s ASN 54 CO 0.13 0.24 0.03 -0.69 -2.57 0.00 0.00 177.10 174.23 1ugi s VAL 55 N -0.08 4.43 -0.22 1.60 1.01 0.04 -0.45 120.40 126.73 1ugi s VAL 55 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 1ugi s VAL 55 Cb -0.13 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.29 1ugi s VAL 55 CO 0.03 0.46 -0.12 -0.04 0.00 0.00 0.00 175.10 175.44 1ugi s MET 56 N 0.46 2.90 -0.23 2.72 -1.94 0.38 -1.20 119.30 122.39 1ugi s MET 56 Ca 0.01 -0.92 -0.20 0.00 -1.71 0.00 0.00 55.69 52.87 1ugi s MET 56 Cb -0.13 -2.82 -0.02 0.00 2.01 0.00 0.00 34.83 33.87 1ugi s MET 56 CO 0.01 -0.32 0.61 -1.17 -0.01 0.00 0.00 175.02 174.14 1ugi s LEU 57 N 1.30 4.10 -0.28 -0.03 2.96 0.12 -0.77 118.68 126.09 1ugi s LEU 57 Ca 0.02 0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 54.56 1ugi s LEU 57 Cb -0.15 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 1ugi s LEU 57 CO -0.08 -0.31 0.15 -0.76 -1.32 0.00 0.00 176.35 174.03 1ugi s LEU 58 N 2.20 3.87 0.29 -0.68 1.43 0.96 -0.41 118.68 126.34 1ugi s LEU 58 Ca 0.26 -0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.33 1ugi s LEU 58 Cb -0.16 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 1ugi s LEU 58 CO 0.09 -0.07 -0.14 0.42 0.23 0.00 0.00 176.35 176.89 1ugi s THR 59 N 1.70 2.16 1.09 5.49 -4.23 -0.41 0.15 115.64 121.59 1ugi s THR 59 Ca 0.07 -2.27 -0.13 0.00 -1.18 0.00 0.00 61.69 58.17 1ugi s THR 59 Cb -0.16 -2.38 0.24 0.00 1.34 0.00 0.00 72.50 71.54 1ugi s THR 59 CO 0.08 -0.36 1.06 -0.94 -0.54 0.00 0.00 174.62 173.92 1ugi s SER 60 N -3.50 1.71 0.97 3.99 1.04 0.06 0.38 113.70 118.35 1ugi s SER 60 Ca 0.29 1.32 -0.14 0.00 0.48 0.00 0.00 55.95 57.90 1ugi s SER 60 Cb -0.01 -2.05 0.17 0.00 0.10 0.00 0.00 66.02 64.24 1ugi s SER 60 CO 0.14 -3.72 1.17 -0.62 0.98 0.00 0.00 173.24 171.18 1ugi s ASP 61 N -3.00 3.01 0.75 7.02 -1.08 -1.24 -3.82 116.67 118.31 1ugi s ASP 61 Ca 0.67 0.78 -0.15 0.00 -0.52 0.00 0.00 52.55 53.34 1ugi s ASP 61 Cb -0.22 -1.21 0.05 0.00 -1.46 0.00 0.00 42.92 40.09 1ugi s ASP 61 CO 0.61 -2.84 1.22 0.00 0.52 0.00 0.00 175.17 174.68 1ugi s ALA 62 N -3.34 2.03 -1.07 3.66 0.00 -1.26 -2.24 121.76 119.53 1ugi s ALA 62 Ca 0.67 0.91 0.28 0.00 0.00 0.00 0.00 51.96 53.81 1ugi s ALA 62 Cb -0.12 -3.49 1.02 0.00 0.00 0.00 0.00 23.12 20.53 1ugi s ALA 62 CO 0.54 -2.02 1.77 -0.35 0.00 0.00 0.00 175.76 175.69 1ugi n PRO 63 N -2.87 0.08 -0.07 0.00 -0.04 -1.26 -4.86 135.00 125.98 1ugi n PRO 63 Ca 0.14 -0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 1ugi n PRO 63 Cb 0.50 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 1ugi n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ugi h GLU 64 N 0.05 0.83 -6.79 0.54 3.07 -1.88 -3.47 114.58 106.93 1ugi h GLU 64 Ca 0.00 -0.50 -0.56 0.00 -0.50 0.00 0.00 59.36 57.81 1ugi h GLU 64 Cb 0.48 0.04 -0.19 0.00 -0.84 0.00 0.00 28.75 28.25 1ugi h GLU 64 CO 0.00 1.13 -0.88 0.66 -1.40 0.00 0.00 179.01 178.52 1ugi n TYR 65 N -4.02 -1.57 -1.89 4.33 4.01 -0.95 -4.84 117.16 112.24 1ugi n TYR 65 Ca -0.03 0.74 -0.42 0.00 -0.16 0.00 0.00 57.90 58.02 1ugi n TYR 65 Cb 0.60 -3.03 -0.03 0.00 -0.31 0.00 0.00 39.34 36.57 1ugi n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1ugi s LYS 66 N -6.93 4.17 0.25 -0.72 2.20 -1.26 -4.54 119.74 112.91 1ugi s LYS 66 Ca 0.42 2.34 -0.31 0.00 -0.36 0.00 0.00 55.97 58.06 1ugi s LYS 66 Cb -0.23 -3.99 -0.12 0.00 -1.51 0.00 0.00 37.83 31.98 1ugi s LYS 66 CO 0.94 -0.87 1.61 -2.30 -0.36 0.00 0.00 175.35 174.37 1ugi n PRO 67 N 7.05 2.58 0.00 4.03 -0.02 -1.26 -0.76 135.00 146.63 1ugi n PRO 67 Ca 0.18 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 1ugi n PRO 67 Cb 0.42 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1ugi n PRO 67 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1ugi n TRP 68 N 2.74 0.00 -3.50 6.00 -0.00 0.12 -4.76 117.44 118.05 1ugi n TRP 68 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.48 1ugi n TRP 68 Cb 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.62 1ugi n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1ugi s ALA 69 N -1.73 -1.75 -0.16 5.87 0.00 -0.90 -1.49 121.76 121.60 1ugi s ALA 69 Ca 0.00 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.03 1ugi s ALA 69 Cb 0.00 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.36 1ugi s ALA 69 CO 0.00 -0.54 -0.19 -1.17 0.00 0.00 0.00 175.76 173.86 1ugi s LEU 70 N -1.87 2.21 -0.17 0.00 1.98 0.11 -0.03 118.68 120.90 1ugi s LEU 70 Ca -0.03 -0.60 -0.03 0.00 -2.89 0.00 0.00 54.13 50.58 1ugi s LEU 70 Cb -0.01 -1.49 -0.02 0.00 0.66 0.00 0.00 46.19 45.33 1ugi s LEU 70 CO -0.02 0.04 -0.06 -0.69 -1.89 0.00 0.00 176.35 173.74 1ugi s VAL 71 N 1.06 3.57 -0.19 1.68 1.01 0.05 0.19 120.40 127.77 1ugi s VAL 71 Ca -0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1ugi s VAL 71 Cb -0.14 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1ugi s VAL 71 CO -0.07 0.47 -0.01 -0.63 0.00 0.00 0.00 175.10 174.87 1ugi s ILE 72 N 0.72 3.91 -0.07 2.22 1.09 -0.22 0.14 121.20 128.99 1ugi s ILE 72 Ca -0.03 -0.33 0.05 0.00 -1.10 0.00 0.00 60.65 59.24 1ugi s ILE 72 Cb -0.15 -2.76 -0.01 0.00 -1.06 0.00 0.00 42.46 38.49 1ugi s ILE 72 CO 0.02 0.44 -0.24 -1.58 -0.10 0.00 0.00 174.94 173.48 1ugi s GLN 73 N 0.90 2.68 0.73 2.79 0.74 0.40 -1.29 119.66 126.61 1ugi s GLN 73 Ca 0.01 -0.87 0.00 0.00 0.05 0.00 0.00 55.36 54.55 1ugi s GLN 73 Cb -0.14 -2.16 0.14 0.00 1.10 0.00 0.00 33.01 31.95 1ugi s GLN 73 CO 0.02 0.28 1.00 -0.40 -0.55 0.00 0.00 175.29 175.65 1ugi n ASP 74 N 3.21 1.38 0.00 6.67 5.68 -0.57 -1.06 116.55 131.85 1ugi n ASP 74 Ca -0.18 -2.16 0.10 0.00 -0.50 0.00 0.00 54.79 52.05 1ugi n ASP 74 Cb 0.52 -0.65 0.50 0.00 -1.14 0.00 0.00 41.12 40.36 1ugi n ASP 74 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1ugi n SER 75 N -2.89 0.00 -1.09 -1.12 3.41 -1.23 -1.05 113.62 109.65 1ugi n SER 75 Ca 0.17 0.11 0.10 0.00 -0.26 0.00 0.00 58.87 58.99 1ugi n SER 75 Cb 0.60 -0.34 0.27 0.00 -0.26 0.00 0.00 64.21 64.48 1ugi n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ugi n ASN 76 N -1.34 3.18 -0.72 4.04 4.13 -1.26 -4.92 115.26 118.37 1ugi n ASN 76 Ca 0.09 -1.98 -0.07 0.00 1.68 0.00 0.00 54.58 54.30 1ugi n ASN 76 Cb 0.18 -0.35 -0.01 0.00 -1.54 0.00 0.00 39.78 38.06 1ugi n ASN 76 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ugi n GLY 77 N 1.45 0.23 3.69 7.41 0.00 -0.22 -5.02 105.19 112.74 1ugi n GLY 77 Ca 0.20 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 1ugi n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ugi s GLU 78 N -4.03 4.23 0.11 1.61 2.12 -1.26 -4.88 118.70 116.60 1ugi s GLU 78 Ca 0.00 0.25 -0.09 0.00 0.36 0.00 0.00 54.97 55.49 1ugi s GLU 78 Cb 0.00 -3.49 -0.06 0.00 0.26 0.00 0.00 34.13 30.84 1ugi s GLU 78 CO 0.00 0.06 0.41 -0.80 -0.54 0.00 0.00 175.26 174.39 1ugi s ASN 79 N 0.84 6.61 -0.13 -1.70 0.02 -1.26 -1.51 114.94 117.81 1ugi s ASN 79 Ca 0.20 0.77 0.01 0.00 -1.02 0.00 0.00 52.86 52.82 1ugi s ASN 79 Cb -0.14 -2.17 0.02 0.00 0.02 0.00 0.00 41.25 38.98 1ugi s ASN 79 CO 0.08 0.13 -0.15 -0.75 0.02 0.00 0.00 177.10 176.42 1ugi s LYS 80 N -2.14 2.29 -0.09 -0.60 2.36 -0.41 -4.99 119.74 116.16 1ugi s LYS 80 Ca 0.36 -0.57 0.03 0.00 -2.55 0.00 0.00 55.97 53.23 1ugi s LYS 80 Cb -0.13 -2.01 -0.01 0.00 -1.05 0.00 0.00 37.83 34.63 1ugi s LYS 80 CO 0.20 -0.13 -0.17 0.42 1.55 0.00 0.00 175.35 177.21 1ugi s ILE 81 N 1.19 2.72 -0.19 5.43 1.01 -1.26 -1.06 121.20 129.03 1ugi s ILE 81 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1ugi s ILE 81 Cb -0.14 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.26 1ugi s ILE 81 CO -0.05 0.55 -0.17 -0.75 0.00 0.00 0.00 174.94 174.52 1ugi s LYS 82 N 0.01 2.98 0.15 2.79 2.20 0.13 -4.98 119.74 123.02 1ugi s LYS 82 Ca -0.06 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.41 1ugi s LYS 82 Cb -0.15 -2.67 -0.07 0.00 -1.51 0.00 0.00 37.83 33.44 1ugi s LYS 82 CO 0.05 -0.24 1.02 -1.64 -0.36 0.00 0.00 175.35 174.18 1ugi s MET 83 N 1.30 4.66 0.00 4.03 -1.94 -1.26 0.05 119.30 126.14 1ugi s MET 83 Ca 0.04 1.58 0.15 0.00 -1.71 0.00 0.00 55.69 55.75 1ugi s MET 83 Cb -0.14 -3.33 0.12 0.00 2.01 0.00 0.00 34.83 33.50 1ugi s MET 83 CO -0.11 0.17 0.99 1.28 -0.01 0.00 0.00 175.02 177.34