#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ugi s ASN 3 N 0.00 6.45 0.14 1.09 2.47 -1.26 -4.98 114.94 118.84 2ugi s ASN 3 Ca 0.00 0.54 -0.02 0.00 0.42 0.00 0.00 52.86 53.79 2ugi s ASN 3 Cb 0.00 -2.26 -0.08 0.00 -1.45 0.00 0.00 41.25 37.46 2ugi s ASN 3 CO 0.00 -0.20 1.32 -0.07 -3.72 0.00 0.00 177.10 174.43 2ugi h LEU 4 N 8.26 0.45 -1.54 3.21 3.38 -2.00 -3.28 115.31 123.79 2ugi h LEU 4 Ca -0.32 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.24 2ugi h LEU 4 Cb 1.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2ugi h LEU 4 CO 0.71 1.17 -0.09 0.77 0.09 0.00 0.00 178.44 181.10 2ugi h SER 5 N 0.19 0.17 0.04 -0.43 4.64 -1.94 -1.67 113.55 114.55 2ugi h SER 5 Ca -0.07 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.08 2ugi h SER 5 Cb 1.57 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.61 2ugi h SER 5 CO 0.16 0.29 -0.47 0.44 -0.87 0.00 0.00 176.83 176.38 2ugi h ASP 6 N 0.18 0.55 -0.22 4.97 5.19 -1.97 -0.61 116.42 124.51 2ugi h ASP 6 Ca 0.04 -0.27 -0.15 0.00 -0.62 0.00 0.00 57.03 56.04 2ugi h ASP 6 Cb 0.28 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 2ugi h ASP 6 CO 0.01 0.94 -0.39 0.40 -3.12 0.00 0.00 179.24 177.08 2ugi h ILE 7 N 0.41 1.29 0.00 0.35 2.04 -1.46 -1.34 117.51 118.80 2ugi h ILE 7 Ca 0.02 -1.57 -0.14 0.00 1.00 0.00 0.00 64.86 64.18 2ugi h ILE 7 Cb 0.98 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 2ugi h ILE 7 CO 0.09 0.51 -0.67 0.40 0.00 0.00 0.00 178.15 178.48 2ugi h ILE 8 N 0.63 1.40 -0.01 -0.67 2.04 -1.20 -3.00 117.51 116.70 2ugi h ILE 8 Ca 0.05 -2.35 -0.25 0.00 1.00 0.00 0.00 64.86 63.31 2ugi h ILE 8 Cb 0.95 2.30 0.01 0.00 -0.74 0.00 0.00 36.82 39.34 2ugi h ILE 8 CO 0.09 0.66 -1.00 -0.08 0.00 0.00 0.00 178.15 177.81 2ugi h GLU 9 N 0.00 0.61 -0.54 2.37 4.81 -0.98 -0.16 114.58 120.68 2ugi h GLU 9 Ca -0.01 -0.65 -0.02 0.00 -0.13 0.00 0.00 59.36 58.55 2ugi h GLU 9 Cb 1.24 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.78 2ugi h GLU 9 CO 0.09 1.25 0.24 -0.22 -0.73 0.00 0.00 179.01 179.64 2ugi h LYS 10 N 0.35 0.77 0.07 1.92 3.64 -1.23 0.71 116.57 122.80 2ugi h LYS 10 Ca -0.11 -0.10 -0.22 0.00 -1.27 0.00 0.00 60.65 58.95 2ugi h LYS 10 Cb 1.65 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 2ugi h LYS 10 CO 0.19 0.62 -1.13 0.93 -2.27 0.00 0.00 179.45 177.79 2ugi h GLU 11 N 0.77 0.16 0.00 1.90 4.39 -1.53 -3.41 114.58 116.86 2ugi h GLU 11 Ca 0.19 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2ugi h GLU 11 Cb 0.12 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2ugi h GLU 11 CO -0.02 1.13 -1.41 0.25 -1.16 0.00 0.00 179.01 177.79 2ugi n THR 12 N -4.15 0.00 -3.00 1.13 -2.24 -0.08 -5.02 114.28 100.93 2ugi n THR 12 Ca -0.23 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 2ugi n THR 12 Cb 0.78 0.48 0.04 0.00 -2.10 0.00 0.00 70.33 69.53 2ugi n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ugi n GLY 13 N 1.44 -0.00 3.13 3.38 0.00 0.25 -5.00 105.19 108.38 2ugi n GLY 13 Ca -0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2ugi n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ugi s LYS 14 N -5.59 0.29 -0.84 1.61 -2.85 -1.26 -5.02 119.74 106.07 2ugi s LYS 14 Ca 0.29 0.38 -0.25 0.00 -1.00 0.00 0.00 55.97 55.39 2ugi s LYS 14 Cb -0.13 0.11 0.02 0.00 -2.06 0.00 0.00 37.83 35.77 2ugi s LYS 14 CO 0.36 -0.05 1.51 -1.14 0.10 0.00 0.00 175.35 176.13 2ugi s GLN 15 N 0.28 3.17 0.08 1.78 2.00 -1.26 -4.25 119.66 121.45 2ugi s GLN 15 Ca -0.01 -0.43 0.04 0.00 -2.00 0.00 0.00 55.36 52.95 2ugi s GLN 15 Cb -0.03 -4.74 -0.04 0.00 0.80 0.00 0.00 33.01 29.00 2ugi s GLN 15 CO -0.01 -2.41 0.03 -0.51 -0.50 0.00 0.00 175.29 171.88 2ugi s LEU 16 N 6.52 3.58 -0.37 3.68 1.43 -1.26 -5.08 118.68 127.17 2ugi s LEU 16 Ca 0.48 -0.11 -0.21 0.00 -1.03 0.00 0.00 54.13 53.26 2ugi s LEU 16 Cb -0.06 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.89 2ugi s LEU 16 CO 0.05 0.18 0.66 -0.69 0.23 0.00 0.00 176.35 176.78 2ugi s VAL 17 N -1.32 4.85 0.38 -1.59 1.01 -1.26 -4.88 120.40 117.59 2ugi s VAL 17 Ca 0.26 0.54 -0.15 0.00 0.00 0.00 0.00 61.98 62.63 2ugi s VAL 17 Cb -0.12 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 2ugi s VAL 17 CO 0.19 -0.39 0.81 -0.63 0.00 0.00 0.00 175.10 175.08 2ugi s ILE 18 N 2.80 4.63 0.47 2.22 1.09 -1.26 -4.58 121.20 126.57 2ugi s ILE 18 Ca 0.25 1.01 0.03 0.00 -1.10 0.00 0.00 60.65 60.84 2ugi s ILE 18 Cb -0.14 -3.64 -0.03 0.00 -1.06 0.00 0.00 42.46 37.58 2ugi s ILE 18 CO 0.16 -0.33 0.01 -1.10 -0.10 0.00 0.00 174.94 173.58 2ugi s GLN 19 N -3.31 2.09 0.21 2.79 -0.21 -0.53 -4.99 119.66 115.71 2ugi s GLN 19 Ca 0.56 -2.29 -0.29 0.00 0.02 0.00 0.00 55.36 53.36 2ugi s GLN 19 Cb -0.10 -1.48 -0.16 0.00 1.00 0.00 0.00 33.01 32.27 2ugi s GLN 19 CO 0.21 -0.27 0.76 0.39 -2.12 0.00 0.00 175.29 174.26 2ugi n GLU 20 N -1.14 0.53 -2.84 2.91 -0.58 -1.26 -4.09 120.64 114.17 2ugi n GLU 20 Ca -0.14 0.19 -0.36 0.00 -0.42 0.00 0.00 57.16 56.43 2ugi n GLU 20 Cb 0.67 -1.38 -0.06 0.00 -0.57 0.00 0.00 31.44 30.10 2ugi n GLU 20 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2ugi s SER 21 N -0.71 7.21 -0.14 1.62 1.04 -1.26 -4.47 113.70 116.99 2ugi s SER 21 Ca 0.65 1.74 0.02 0.00 0.48 0.00 0.00 55.95 58.83 2ugi s SER 21 Cb -0.87 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 62.71 2ugi s SER 21 CO 0.57 -0.11 -0.21 -0.63 0.98 0.00 0.00 173.24 173.84 2ugi s ILE 22 N -1.72 2.19 0.12 -1.02 1.01 -0.85 -4.87 121.20 116.05 2ugi s ILE 22 Ca 0.52 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 2ugi s ILE 22 Cb -0.16 -1.88 -0.06 0.00 0.01 0.00 0.00 42.46 40.36 2ugi s ILE 22 CO 0.21 0.54 0.97 -0.22 0.00 0.00 0.00 174.94 176.44 2ugi s LEU 23 N 0.82 4.51 -0.00 2.97 1.98 -1.26 -1.03 118.68 126.67 2ugi s LEU 23 Ca -0.06 1.82 0.00 0.00 -2.89 0.00 0.00 54.13 53.00 2ugi s LEU 23 Cb -0.15 -3.59 -0.00 0.00 0.66 0.00 0.00 46.19 43.10 2ugi s LEU 23 CO -0.02 -0.06 -0.02 -0.04 -1.89 0.00 0.00 176.35 174.33 2ugi s MET 24 N -0.09 0.13 0.51 1.98 -1.94 -0.27 -4.99 119.30 114.62 2ugi s MET 24 Ca 0.47 -0.06 -0.19 0.00 -1.71 0.00 0.00 55.69 54.20 2ugi s MET 24 Cb -0.24 -0.13 -0.07 0.00 2.01 0.00 0.00 34.83 36.40 2ugi s MET 24 CO 0.30 0.03 1.04 -0.51 -0.01 0.00 0.00 175.02 175.87 2ugi s LEU 25 N -0.04 3.76 0.65 -0.03 1.43 -1.26 -1.89 118.68 121.30 2ugi s LEU 25 Ca 0.01 1.87 0.35 0.00 -1.03 0.00 0.00 54.13 55.33 2ugi s LEU 25 Cb -0.01 -4.55 1.94 0.00 0.03 0.00 0.00 46.19 43.61 2ugi s LEU 25 CO -0.00 -0.84 2.13 1.55 0.23 0.00 0.00 176.35 179.42 2ugi h PRO 26 N 1.28 0.00 0.00 1.29 0.13 -1.88 -1.04 132.00 131.78 2ugi h PRO 26 Ca -0.49 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.44 2ugi h PRO 26 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2ugi h PRO 26 CO 0.59 0.00 -1.05 0.93 -0.23 0.00 0.00 178.00 178.24 2ugi h GLU 27 N 0.00 0.00 0.00 0.86 3.07 -1.93 -2.99 114.58 113.60 2ugi h GLU 27 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2ugi h GLU 27 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2ugi h GLU 27 CO -0.00 0.79 0.00 0.39 -1.40 0.00 0.00 179.01 178.79 2ugi n GLU 28 N -3.25 0.16 -0.01 2.33 1.02 -0.40 -3.44 120.64 117.05 2ugi n GLU 28 Ca -0.03 0.10 0.03 0.00 -0.02 0.00 0.00 57.16 57.25 2ugi n GLU 28 Cb 0.92 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.78 2ugi n GLU 28 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2ugi n VAL 29 N -1.39 0.04 -0.18 2.62 0.31 -1.20 -4.77 118.33 113.76 2ugi n VAL 29 Ca 0.08 -0.18 -0.12 0.00 -0.01 0.00 0.00 64.34 64.11 2ugi n VAL 29 Cb 0.21 0.23 -0.07 0.00 -0.91 0.00 0.00 33.84 33.30 2ugi n VAL 29 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2ugi h GLU 30 N 0.00 -0.31 -0.24 5.55 5.08 -1.55 -2.70 114.58 120.42 2ugi h GLU 30 Ca -0.02 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2ugi h GLU 30 Cb 0.44 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 2ugi h GLU 30 CO 0.00 -0.20 -0.50 1.49 -1.00 0.00 0.00 179.01 178.80 2ugi h GLU 31 N -0.32 -0.46 -0.53 2.33 4.57 -1.86 0.61 114.58 118.91 2ugi h GLU 31 Ca 0.12 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 2ugi h GLU 31 Cb 0.57 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 2ugi h GLU 31 CO -0.64 -0.31 0.20 0.28 -1.18 0.00 0.00 179.01 177.36 2ugi h VAL 32 N -0.48 1.22 0.00 0.32 2.07 -1.87 -3.26 116.25 114.24 2ugi h VAL 32 Ca 0.07 -0.70 -0.20 0.00 0.82 0.00 0.00 66.70 66.69 2ugi h VAL 32 Cb 0.64 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2ugi h VAL 32 CO -0.49 0.27 -1.07 0.40 0.02 0.00 0.00 177.57 176.70 2ugi h ILE 33 N 0.73 1.23 0.00 4.57 1.08 -1.37 -3.48 117.51 120.26 2ugi h ILE 33 Ca 0.18 -2.86 0.00 0.00 -0.39 0.00 0.00 64.86 61.79 2ugi h ILE 33 Cb 0.22 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 2ugi h ILE 33 CO -0.01 0.70 0.00 0.61 -0.69 0.00 0.00 178.15 178.76 2ugi n GLY 34 N 1.36 0.45 3.44 5.37 0.00 0.21 -5.01 105.19 111.02 2ugi n GLY 34 Ca -0.04 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 2ugi n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ugi s ASN 35 N -2.49 -0.64 -0.20 1.61 0.01 -1.17 -5.04 114.94 107.02 2ugi s ASN 35 Ca 0.00 1.14 -0.12 0.00 -0.71 0.00 0.00 52.86 53.17 2ugi s ASN 35 Cb 0.00 1.09 -0.05 0.00 0.41 0.00 0.00 41.25 42.70 2ugi s ASN 35 CO 0.00 -0.20 0.23 -0.75 -1.51 0.00 0.00 177.10 174.86 2ugi s LYS 36 N 0.91 4.18 0.64 -0.60 2.20 -1.26 -4.03 119.74 121.78 2ugi s LYS 36 Ca -0.05 -0.08 -0.09 0.00 -0.36 0.00 0.00 55.97 55.39 2ugi s LYS 36 Cb -0.05 -3.47 -0.00 0.00 -1.51 0.00 0.00 37.83 32.80 2ugi s LYS 36 CO -0.08 0.17 1.01 -1.25 -0.36 0.00 0.00 175.35 174.85 2ugi s PRO 37 N 0.70 3.05 0.23 4.03 0.04 -1.26 -5.01 135.00 136.79 2ugi s PRO 37 Ca 0.12 0.37 0.12 0.00 0.04 0.00 0.00 61.00 61.65 2ugi s PRO 37 Cb -0.13 -2.12 0.11 0.00 0.04 0.00 0.00 34.50 32.39 2ugi s PRO 37 CO 0.03 -0.80 1.45 0.93 0.04 0.00 0.00 177.00 178.65 2ugi h GLU 38 N -0.40 0.00 0.00 4.56 5.08 -1.98 -3.45 114.58 118.38 2ugi h GLU 38 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2ugi h GLU 38 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2ugi h GLU 38 CO 0.63 0.69 0.00 0.43 -1.00 0.00 0.00 179.01 179.76 2ugi n SER 39 N -3.42 1.92 -4.84 1.42 7.64 -1.26 -5.04 113.62 110.05 2ugi n SER 39 Ca 0.00 -0.49 -0.35 0.00 1.01 0.00 0.00 58.87 59.05 2ugi n SER 39 Cb 0.76 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.90 2ugi n SER 39 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2ugi s ASP 40 N -0.02 6.89 0.21 6.43 1.01 -1.26 -4.13 116.67 125.80 2ugi s ASP 40 Ca 0.00 1.24 0.10 0.00 0.71 0.00 0.00 52.55 54.60 2ugi s ASP 40 Cb 0.00 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 2ugi s ASP 40 CO 0.00 -0.00 -0.11 0.27 0.21 0.00 0.00 175.17 175.54 2ugi s ILE 41 N -1.63 3.05 -0.09 0.77 -5.25 -0.79 -3.13 121.20 114.13 2ugi s ILE 41 Ca 0.44 -1.85 -0.00 0.00 -0.99 0.00 0.00 60.65 58.25 2ugi s ILE 41 Cb -0.14 -2.54 -0.03 0.00 2.95 0.00 0.00 42.46 42.70 2ugi s ILE 41 CO 0.20 -0.20 -0.07 -0.76 -1.79 0.00 0.00 174.94 172.32 2ugi s LEU 42 N -3.06 3.15 -0.31 0.37 1.43 -0.46 -1.12 118.68 118.68 2ugi s LEU 42 Ca 0.26 -0.07 -0.07 0.00 -1.03 0.00 0.00 54.13 53.22 2ugi s LEU 42 Cb -0.08 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.46 2ugi s LEU 42 CO 0.15 0.31 0.09 -0.69 0.23 0.00 0.00 176.35 176.44 2ugi s VAL 43 N -0.47 3.96 -0.23 -1.59 1.01 -0.20 -2.37 120.40 120.51 2ugi s VAL 43 Ca 0.07 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 2ugi s VAL 43 Cb -0.12 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2ugi s VAL 43 CO 0.02 0.02 0.09 -1.00 0.00 0.00 0.00 175.10 174.23 2ugi s HIS 44 N 1.48 3.18 0.33 5.22 0.09 -0.89 -2.01 115.29 122.70 2ugi s HIS 44 Ca 0.02 -0.11 0.08 0.00 -0.00 0.00 0.00 55.06 55.05 2ugi s HIS 44 Cb -0.18 -2.20 -0.03 0.00 -0.00 0.00 0.00 32.58 30.17 2ugi s HIS 44 CO 0.03 -0.11 0.22 -0.08 -0.00 0.00 0.00 174.74 174.80 2ugi s THR 45 N 1.14 3.34 0.22 1.30 -1.32 -1.26 -1.54 115.64 117.53 2ugi s THR 45 Ca 0.05 -1.52 -0.21 0.00 -1.21 0.00 0.00 61.69 58.80 2ugi s THR 45 Cb -0.14 -3.10 0.07 0.00 -1.51 0.00 0.00 72.50 67.82 2ugi s THR 45 CO 0.04 -0.19 0.96 0.00 -2.21 0.00 0.00 174.62 173.23 2ugi s ALA 46 N -2.35 -1.42 -0.14 11.08 0.00 -0.64 -1.45 121.76 126.84 2ugi s ALA 46 Ca 0.39 -0.33 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 2ugi s ALA 46 Cb -0.04 0.72 0.05 0.00 0.00 0.00 0.00 23.12 23.85 2ugi s ALA 46 CO 0.25 -1.04 0.32 -0.47 0.00 0.00 0.00 175.76 174.81 2ugi s TYR 47 N -2.46 -0.47 -0.20 0.00 5.04 -1.26 -1.60 117.35 116.40 2ugi s TYR 47 Ca 0.18 1.03 -0.13 0.00 -2.44 0.00 0.00 57.07 55.72 2ugi s TYR 47 Cb -0.03 0.14 -0.05 0.00 0.35 0.00 0.00 41.96 42.37 2ugi s TYR 47 CO 0.06 -0.30 0.25 0.34 -1.34 0.00 0.00 175.55 174.56 2ugi s ASP 48 N 1.46 6.29 -0.02 4.32 -1.08 0.30 -4.85 116.67 123.10 2ugi s ASP 48 Ca -0.08 0.33 -0.08 0.00 -0.52 0.00 0.00 52.55 52.21 2ugi s ASP 48 Cb -0.10 -2.15 -0.30 0.00 -1.46 0.00 0.00 42.92 38.91 2ugi s ASP 48 CO -0.10 0.06 0.78 -0.33 0.52 0.00 0.00 175.17 176.10 2ugi h GLU 49 N 7.11 0.34 0.00 4.34 4.39 -1.96 -0.95 114.58 127.84 2ugi h GLU 49 Ca -0.39 -0.58 -0.04 0.00 0.34 0.00 0.00 59.36 58.69 2ugi h GLU 49 Cb 1.16 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 2ugi h GLU 49 CO 0.72 1.23 -0.21 0.66 -1.16 0.00 0.00 179.01 180.25 2ugi h SER 50 N 0.09 0.00 0.00 1.42 4.64 -1.99 -3.25 113.55 114.47 2ugi h SER 50 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2ugi h SER 50 Cb 2.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 2ugi h SER 50 CO 0.18 0.21 -1.14 0.35 -0.87 0.00 0.00 176.83 175.56 2ugi n THR 51 N -4.06 0.00 -2.61 2.95 -2.24 -1.26 -5.04 114.28 102.01 2ugi n THR 51 Ca -0.02 -0.20 -0.08 0.00 -2.27 0.00 0.00 64.05 61.48 2ugi n THR 51 Cb 0.28 0.47 0.04 0.00 -2.10 0.00 0.00 70.33 69.02 2ugi n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2ugi n ASP 52 N -1.64 -2.16 -4.18 3.42 2.03 -0.44 -4.77 116.55 108.82 2ugi n ASP 52 Ca -0.01 -0.28 -0.27 0.00 0.52 0.00 0.00 54.79 54.76 2ugi n ASP 52 Cb 0.18 -2.57 -0.16 0.00 -0.72 0.00 0.00 41.12 37.85 2ugi n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2ugi s GLU 53 N -4.54 1.75 -0.13 -0.67 2.02 -0.76 -3.28 118.70 113.10 2ugi s GLU 53 Ca 0.01 -0.69 -0.24 0.00 0.02 0.00 0.00 54.97 54.08 2ugi s GLU 53 Cb -0.00 -1.60 -0.02 0.00 0.10 0.00 0.00 34.13 32.60 2ugi s GLU 53 CO 0.33 0.35 0.76 -0.80 0.02 0.00 0.00 175.26 175.92 2ugi s ASN 54 N -0.25 6.95 -0.10 -0.19 0.01 -0.21 -0.53 114.94 120.62 2ugi s ASN 54 Ca 0.02 1.15 -0.00 0.00 -0.71 0.00 0.00 52.86 53.32 2ugi s ASN 54 Cb -0.10 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 2ugi s ASN 54 CO 0.01 -0.27 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.56 2ugi s VAL 55 N 1.56 3.60 -0.10 1.60 1.01 -0.63 -1.22 120.40 126.22 2ugi s VAL 55 Ca 0.37 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 2ugi s VAL 55 Cb -0.17 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.74 2ugi s VAL 55 CO 0.15 0.56 -0.04 -0.04 0.00 0.00 0.00 175.10 175.73 2ugi s MET 56 N -0.29 1.11 -0.33 2.72 -1.94 -0.04 -1.63 119.30 118.90 2ugi s MET 56 Ca 0.04 -0.12 -0.08 0.00 -1.71 0.00 0.00 55.69 53.81 2ugi s MET 56 Cb -0.13 -1.37 0.02 0.00 2.01 0.00 0.00 34.83 35.36 2ugi s MET 56 CO 0.02 -0.30 0.13 -1.17 -0.01 0.00 0.00 175.02 173.70 2ugi s LEU 57 N 1.82 4.27 -0.14 -0.03 2.96 -0.59 -1.20 118.68 125.78 2ugi s LEU 57 Ca 0.05 -0.89 -0.16 0.00 -0.22 0.00 0.00 54.13 52.91 2ugi s LEU 57 Cb -0.13 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2ugi s LEU 57 CO -0.07 -0.29 0.38 -0.76 -1.32 0.00 0.00 176.35 174.29 2ugi s LEU 58 N 1.50 4.26 0.36 -0.68 2.01 -0.28 -2.09 118.68 123.76 2ugi s LEU 58 Ca 0.01 0.65 0.07 0.00 0.01 0.00 0.00 54.13 54.88 2ugi s LEU 58 Cb -0.18 -2.52 -0.03 0.00 0.01 0.00 0.00 46.19 43.47 2ugi s LEU 58 CO 0.04 0.06 0.26 0.42 1.01 0.00 0.00 176.35 178.14 2ugi s THR 59 N 0.52 0.09 0.74 5.49 -4.23 -1.00 -0.72 115.64 116.53 2ugi s THR 59 Ca 0.21 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.64 2ugi s THR 59 Cb -0.14 -2.46 0.08 0.00 1.34 0.00 0.00 72.50 71.32 2ugi s THR 59 CO 0.07 0.00 1.05 -0.94 -0.54 0.00 0.00 174.62 174.26 2ugi s SER 60 N -3.43 4.62 0.99 3.99 1.04 -0.90 -1.35 113.70 118.64 2ugi s SER 60 Ca 0.37 0.42 -0.15 0.00 0.48 0.00 0.00 55.95 57.07 2ugi s SER 60 Cb 0.02 -0.99 0.19 0.00 0.10 0.00 0.00 66.02 65.34 2ugi s SER 60 CO 0.26 -1.73 1.19 -0.62 0.98 0.00 0.00 173.24 173.32 2ugi s ASP 61 N -4.57 2.87 0.77 7.02 -1.08 -1.18 -3.91 116.67 116.59 2ugi s ASP 61 Ca 0.62 0.67 -0.15 0.00 -0.52 0.00 0.00 52.55 53.17 2ugi s ASP 61 Cb -0.10 -1.00 0.04 0.00 -1.46 0.00 0.00 42.92 40.40 2ugi s ASP 61 CO 0.46 -2.92 1.09 0.00 0.52 0.00 0.00 175.17 174.31 2ugi n ALA 62 N -3.96 -0.11 0.15 3.66 0.00 -1.26 -3.07 120.51 115.92 2ugi n ALA 62 Ca 0.11 -0.26 0.12 0.00 0.00 0.00 0.00 53.44 53.41 2ugi n ALA 62 Cb 0.59 -2.18 0.04 0.00 0.00 0.00 0.00 19.45 17.90 2ugi n ALA 62 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ugi h PRO 63 N -0.55 0.00 0.49 0.00 0.13 -2.05 -3.46 132.00 126.55 2ugi h PRO 63 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2ugi h PRO 63 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 2ugi h PRO 63 CO 0.46 0.00 -0.46 0.93 -0.23 0.00 0.00 178.00 178.70 2ugi h GLU 64 N 0.00 -0.92 -4.01 0.86 5.08 -1.91 -3.45 114.58 110.23 2ugi h GLU 64 Ca 0.00 0.06 -0.37 0.00 -1.00 0.00 0.00 59.36 58.06 2ugi h GLU 64 Cb 0.99 0.21 0.05 0.00 0.50 0.00 0.00 28.75 30.50 2ugi h GLU 64 CO 0.00 -0.61 -0.55 0.66 -1.00 0.00 0.00 179.01 177.51 2ugi n TYR 65 N -5.54 -1.74 -2.11 4.33 4.01 -1.17 -4.63 117.16 110.30 2ugi n TYR 65 Ca -0.12 0.46 -0.43 0.00 -0.16 0.00 0.00 57.90 57.65 2ugi n TYR 65 Cb 0.44 -4.15 -0.03 0.00 -0.31 0.00 0.00 39.34 35.29 2ugi n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2ugi s LYS 66 N -5.56 3.81 0.29 -0.72 2.20 -1.26 -4.58 119.74 113.92 2ugi s LYS 66 Ca 0.26 1.69 -0.29 0.00 -0.36 0.00 0.00 55.97 57.27 2ugi s LYS 66 Cb -0.12 -4.03 -0.13 0.00 -1.51 0.00 0.00 37.83 32.04 2ugi s LYS 66 CO 0.33 -1.27 1.25 -0.35 -0.36 0.00 0.00 175.35 174.94 2ugi n PRO 67 N 7.63 1.85 0.00 4.03 -0.04 -1.26 -2.13 135.00 145.08 2ugi n PRO 67 Ca 0.19 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 2ugi n PRO 67 Cb 0.45 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 2ugi n PRO 67 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2ugi n TRP 68 N 0.85 0.00 -3.59 0.54 -0.00 0.11 -4.74 117.44 110.59 2ugi n TRP 68 Ca 0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.48 2ugi n TRP 68 Cb 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.61 2ugi n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2ugi s ALA 69 N -1.68 -1.17 -0.12 5.87 0.00 -0.97 -2.06 121.76 121.63 2ugi s ALA 69 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 2ugi s ALA 69 Cb 0.00 0.81 0.06 0.00 0.00 0.00 0.00 23.12 23.98 2ugi s ALA 69 CO 0.00 -0.74 0.12 -1.17 0.00 0.00 0.00 175.76 173.97 2ugi s LEU 70 N -2.81 0.13 -0.11 0.00 1.98 0.27 -1.13 118.68 117.01 2ugi s LEU 70 Ca 0.04 -0.17 -0.02 0.00 -2.89 0.00 0.00 54.13 51.09 2ugi s LEU 70 Cb -0.00 -0.00 -0.03 0.00 0.66 0.00 0.00 46.19 46.81 2ugi s LEU 70 CO -0.09 -0.30 -0.02 -0.69 -1.89 0.00 0.00 176.35 173.36 2ugi s VAL 71 N 2.21 4.12 -0.08 1.68 1.01 -0.34 0.08 120.40 129.08 2ugi s VAL 71 Ca 0.04 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2ugi s VAL 71 Cb -0.14 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.50 2ugi s VAL 71 CO -0.07 0.56 -0.11 -0.63 0.00 0.00 0.00 175.10 174.85 2ugi s ILE 72 N -0.40 1.12 -0.19 2.22 1.01 -0.32 -0.86 121.20 123.78 2ugi s ILE 72 Ca 0.07 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 2ugi s ILE 72 Cb -0.12 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 2ugi s ILE 72 CO 0.02 0.36 -0.09 -1.58 0.00 0.00 0.00 174.94 173.65 2ugi s GLN 73 N 0.99 3.34 0.62 2.79 0.74 -0.36 -0.68 119.66 127.10 2ugi s GLN 73 Ca -0.08 -0.67 -0.10 0.00 0.05 0.00 0.00 55.36 54.57 2ugi s GLN 73 Cb -0.15 -2.83 0.14 0.00 1.10 0.00 0.00 33.01 31.27 2ugi s GLN 73 CO -0.00 -0.06 0.84 -0.40 -0.55 0.00 0.00 175.29 175.12 2ugi n ASP 74 N 4.35 0.16 -0.25 6.67 5.75 -0.49 -1.04 116.55 131.70 2ugi n ASP 74 Ca -0.19 -1.37 0.15 0.00 -0.01 0.00 0.00 54.79 53.38 2ugi n ASP 74 Cb 0.51 -0.63 0.45 0.00 -1.03 0.00 0.00 41.12 40.42 2ugi n ASP 74 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 2ugi h SER 75 N -1.05 0.52 -0.01 -1.12 0.87 -1.85 -1.59 113.55 109.32 2ugi h SER 75 Ca -0.27 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2ugi h SER 75 Cb 0.77 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2ugi h SER 75 CO 0.20 0.24 0.00 0.59 -0.53 0.00 0.00 176.83 177.33 2ugi n ASN 76 N -4.54 0.15 0.00 6.23 5.03 -1.26 -4.89 115.26 115.97 2ugi n ASN 76 Ca 0.18 -1.27 0.00 0.00 0.87 0.00 0.00 54.58 54.36 2ugi n ASN 76 Cb 0.58 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.33 2ugi n ASN 76 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ugi n GLY 77 N 0.91 0.55 3.76 7.41 0.00 -0.60 -5.04 105.19 112.19 2ugi n GLY 77 Ca 0.18 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2ugi n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ugi s GLU 78 N -0.60 4.08 0.31 1.61 2.02 -1.26 -4.85 118.70 120.02 2ugi s GLU 78 Ca 0.00 0.05 -0.09 0.00 0.02 0.00 0.00 54.97 54.96 2ugi s GLU 78 Cb 0.00 -3.36 -0.06 0.00 0.10 0.00 0.00 34.13 30.80 2ugi s GLU 78 CO 0.00 0.38 0.63 -0.80 0.02 0.00 0.00 175.26 175.50 2ugi s ASN 79 N 0.04 6.55 -0.23 -0.19 0.01 -1.26 -1.40 114.94 118.46 2ugi s ASN 79 Ca 0.16 0.95 -0.04 0.00 -0.71 0.00 0.00 52.86 53.22 2ugi s ASN 79 Cb -0.13 -2.24 0.08 0.00 0.41 0.00 0.00 41.25 39.37 2ugi s ASN 79 CO 0.04 -0.22 0.12 -0.75 -1.51 0.00 0.00 177.10 174.78 2ugi s LYS 80 N -3.39 0.13 0.11 -0.60 2.20 0.14 -4.96 119.74 113.38 2ugi s LYS 80 Ca 0.48 -0.26 -0.07 0.00 -0.36 0.00 0.00 55.97 55.76 2ugi s LYS 80 Cb -0.11 -1.47 -0.06 0.00 -1.51 0.00 0.00 37.83 34.69 2ugi s LYS 80 CO 0.27 -0.83 0.38 0.42 -0.36 0.00 0.00 175.35 175.22 2ugi s ILE 81 N 2.14 5.15 -0.10 5.43 1.09 -1.26 -1.18 121.20 132.48 2ugi s ILE 81 Ca 0.06 0.20 -0.05 0.00 -1.10 0.00 0.00 60.65 59.76 2ugi s ILE 81 Cb -0.16 -3.62 0.05 0.00 -1.06 0.00 0.00 42.46 37.66 2ugi s ILE 81 CO -0.22 0.16 0.23 -0.75 -0.10 0.00 0.00 174.94 174.25 2ugi s LYS 82 N -2.31 0.18 0.01 2.79 2.20 0.11 -4.97 119.74 117.76 2ugi s LYS 82 Ca 0.37 0.52 -0.24 0.00 -0.36 0.00 0.00 55.97 56.25 2ugi s LYS 82 Cb -0.13 -0.13 -0.05 0.00 -1.51 0.00 0.00 37.83 36.01 2ugi s LYS 82 CO 0.21 -0.18 0.75 -1.64 -0.36 0.00 0.00 175.35 174.13 2ugi s MET 83 N 1.35 4.47 0.00 4.03 -1.94 -1.26 0.96 119.30 126.91 2ugi s MET 83 Ca -0.08 1.01 0.25 0.00 -1.71 0.00 0.00 55.69 55.16 2ugi s MET 83 Cb -0.11 -3.38 0.40 0.00 2.01 0.00 0.00 34.83 33.75 2ugi s MET 83 CO -0.08 0.23 1.38 1.28 -0.01 0.00 0.00 175.02 177.82