#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aff n THR 4 N 0.00 0.08 -3.60 3.45 -2.24 -1.26 -4.97 114.28 105.74 2aff n THR 4 Ca 0.00 -0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.38 2aff n THR 4 Cb 0.00 -0.85 -0.09 0.00 -2.10 0.00 0.00 70.33 67.29 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2aff s ARG 5 N -2.03 4.09 -0.02 -0.78 0.52 -1.26 -1.39 118.95 118.08 2aff s ARG 5 Ca -0.02 -0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.07 2aff s ARG 5 Cb 0.01 -3.54 -0.01 0.00 0.52 0.00 0.00 34.95 31.93 2aff s ARG 5 CO 0.03 0.03 -0.14 1.03 0.02 0.00 0.00 175.30 176.27 2aff s ARG 6 N 1.13 1.27 -0.15 3.54 0.52 0.02 -2.23 118.95 123.04 2aff s ARG 6 Ca 0.10 -0.49 -0.03 0.00 -0.52 0.00 0.00 55.73 54.79 2aff s ARG 6 Cb -0.14 -1.18 -0.02 0.00 0.52 0.00 0.00 34.95 34.13 2aff s ARG 6 CO 0.05 0.25 -0.05 -1.17 0.02 0.00 0.00 175.30 174.40 2aff s LEU 7 N -0.12 3.15 -0.14 2.53 2.96 -0.88 -1.81 118.68 124.37 2aff s LEU 7 Ca 0.01 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 2aff s LEU 7 Cb -0.08 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2aff s LEU 7 CO 0.00 0.16 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.45 2aff s VAL 8 N 0.41 3.78 0.25 1.68 1.01 -0.99 0.10 120.40 126.64 2aff s VAL 8 Ca -0.05 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 2aff s VAL 8 Cb -0.14 -2.64 -0.09 0.00 0.00 0.00 0.00 36.38 33.51 2aff s VAL 8 CO 0.03 0.51 0.95 -0.89 0.00 0.00 0.00 175.10 175.70 2aff s THR 9 N 0.22 4.06 -0.11 3.92 2.01 -0.97 -2.01 115.64 122.75 2aff s THR 9 Ca -0.03 2.05 -0.02 0.00 0.31 0.00 0.00 61.69 64.00 2aff s THR 9 Cb -0.14 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 2aff s THR 9 CO 0.03 0.47 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.77 2aff s ILE 10 N -1.21 3.98 0.42 1.82 -1.09 -0.51 -2.06 121.20 122.56 2aff s ILE 10 Ca 0.42 -0.35 -0.08 0.00 -2.23 0.00 0.00 60.65 58.40 2aff s ILE 10 Cb -0.26 -2.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.87 2aff s ILE 10 CO 0.32 0.55 0.76 -0.54 -1.23 0.00 0.00 174.94 174.80 2aff s LYS 11 N -0.31 3.69 0.53 2.79 1.02 0.56 -4.22 119.74 123.81 2aff s LYS 11 Ca 0.05 0.36 0.22 0.00 0.02 0.00 0.00 55.97 56.62 2aff s LYS 11 Cb -0.12 -2.40 1.37 0.00 -0.52 0.00 0.00 37.83 36.16 2aff s LYS 11 CO 0.02 -0.08 2.07 0.00 -0.92 0.00 0.00 175.35 176.45 2aff h ARG 12 N 0.95 0.00 0.00 1.68 3.08 -1.88 0.72 114.38 118.93 2aff h ARG 12 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2aff h ARG 12 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2aff h ARG 12 CO 0.63 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.98 2aff n SER 13 N -4.39 0.75 -0.07 7.04 2.88 -1.26 -4.90 113.62 113.67 2aff n SER 13 Ca 0.04 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 2aff n SER 13 Cb 0.37 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aff n GLY 14 N 1.07 1.25 3.22 0.46 0.00 0.25 -5.09 105.19 106.35 2aff n GLY 14 Ca 0.05 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2aff n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aff s VAL 15 N -2.15 2.06 0.22 1.61 1.01 -1.24 -4.81 120.40 117.10 2aff s VAL 15 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 2aff s VAL 15 Cb 0.00 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 2aff s VAL 15 CO 0.00 0.56 1.20 -1.81 0.00 0.00 0.00 175.10 175.05 2aff s ASP 16 N 0.30 7.08 0.00 3.32 1.01 -1.26 -0.32 116.67 126.79 2aff s ASP 16 Ca -0.18 2.30 0.00 0.00 0.71 0.00 0.00 52.55 55.38 2aff s ASP 16 Cb -0.18 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.14 2aff s ASP 16 CO 0.09 -0.36 0.00 0.61 0.21 0.00 0.00 175.17 175.72 2aff n GLY 17 N 1.90 2.91 3.80 0.21 0.00 -0.87 -4.94 105.19 108.19 2aff n GLY 17 Ca 0.03 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 2aff n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2aff s PRO 18 N 3.27 3.64 0.09 1.61 0.04 -1.26 -4.73 135.00 137.67 2aff s PRO 18 Ca 0.00 1.36 0.06 0.00 0.04 0.00 0.00 61.00 62.46 2aff s PRO 18 Cb 0.00 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2aff s PRO 18 CO 0.00 -0.57 -0.05 -3.38 0.04 0.00 0.00 177.00 173.04 2aff s HIS 19 N -2.06 2.87 -0.31 0.56 -3.43 -1.26 -2.30 115.29 109.36 2aff s HIS 19 Ca 0.67 -0.09 0.03 0.00 -0.80 0.00 0.00 55.06 54.87 2aff s HIS 19 Cb -0.17 -1.49 0.09 0.00 -1.43 0.00 0.00 32.58 29.58 2aff s HIS 19 CO 0.24 0.45 0.02 0.12 -2.00 0.00 0.00 174.74 173.58 2aff s PHE 20 N -1.26 3.27 0.17 0.38 5.36 0.12 -4.97 117.98 121.05 2aff s PHE 20 Ca 0.23 -2.60 -0.30 0.00 -0.96 0.00 0.00 56.93 53.31 2aff s PHE 20 Cb -0.11 -2.46 -0.08 0.00 -0.34 0.00 0.00 43.02 40.03 2aff s PHE 20 CO 0.16 -0.91 1.21 -1.25 -1.46 0.00 0.00 175.22 172.97 2aff s PRO 21 N 1.08 4.47 -1.06 10.12 0.04 -1.26 -2.07 135.00 146.32 2aff s PRO 21 Ca 0.06 1.89 -0.08 0.00 0.04 0.00 0.00 61.00 62.91 2aff s PRO 21 Cb -0.19 -3.24 -0.11 0.00 0.04 0.00 0.00 34.50 30.99 2aff s PRO 21 CO -0.10 -0.13 3.09 1.28 0.04 0.00 0.00 177.00 181.19 2aff n LEU 22 N 2.68 7.55 0.26 -3.56 4.77 -0.95 -4.43 117.00 123.31 2aff n LEU 22 Ca 0.05 -4.06 0.13 0.00 -0.03 0.00 0.00 56.01 52.11 2aff n LEU 22 Cb 0.45 -1.48 0.66 0.00 -2.33 0.00 0.00 43.42 40.71 2aff n LEU 22 CO 0.56 1.95 0.93 0.77 -1.33 0.00 0.00 177.39 180.27 2aff h SER 23 N 4.26 0.00 -3.47 -1.43 4.64 -1.91 -3.42 113.55 112.22 2aff h SER 23 Ca 0.63 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.42 2aff h SER 23 Cb 0.67 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.73 2aff h SER 23 CO 1.25 0.12 0.09 -0.76 -0.87 0.00 0.00 176.83 176.67 2aff s LEU 24 N -6.77 4.46 0.36 5.97 1.43 -1.26 -4.95 118.68 117.91 2aff s LEU 24 Ca -0.01 1.44 0.27 0.00 -1.03 0.00 0.00 54.13 54.80 2aff s LEU 24 Cb 0.11 -3.34 1.19 0.00 0.03 0.00 0.00 46.19 44.18 2aff s LEU 24 CO 0.58 0.14 1.81 0.77 0.23 0.00 0.00 176.35 179.88 2aff h SER 25 N 3.93 0.00 -3.76 2.29 4.64 -1.92 -3.42 113.55 115.30 2aff h SER 25 Ca -0.48 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.43 2aff h SER 25 Cb 1.20 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.98 2aff h SER 25 CO 0.65 0.00 -0.78 -0.89 -0.87 0.00 0.00 176.83 174.94 2aff s THR 26 N -3.48 0.68 -0.18 2.95 2.01 -1.26 -0.41 115.64 115.95 2aff s THR 26 Ca 0.02 -0.30 -0.00 0.00 0.31 0.00 0.00 61.69 61.72 2aff s THR 26 Cb 0.09 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 72.02 2aff s THR 26 CO 0.39 0.22 -0.06 0.00 -0.69 0.00 0.00 174.62 174.48 2aff s LEU 28 N 1.57 3.04 -0.12 0.00 2.96 -1.26 -0.97 118.68 123.90 2aff s LEU 28 Ca 0.00 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2aff s LEU 28 Cb -0.16 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2aff s LEU 28 CO -0.08 0.13 0.04 -0.36 -1.32 0.00 0.00 176.35 174.77 2aff s PHE 29 N 0.56 3.28 -5.00 5.38 0.40 0.67 0.10 117.98 123.37 2aff s PHE 29 Ca -0.04 0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 2aff s PHE 29 Cb -0.15 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.49 2aff s PHE 29 CO 0.03 0.45 0.00 0.41 0.70 0.00 0.00 175.22 176.81 2aff n GLY 30 N 2.44 -1.40 0.08 4.36 0.00 -0.84 -2.55 105.19 107.27 2aff n GLY 30 Ca -0.18 -1.29 -0.07 0.00 0.00 0.00 0.00 46.02 44.47 2aff n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aff h ARG 31 N 0.56 0.00 -6.89 1.61 3.08 -1.18 -2.81 114.38 108.76 2aff h ARG 31 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 2aff h ARG 31 Cb 0.00 0.00 0.20 0.00 0.08 0.00 0.00 29.97 30.25 2aff h ARG 31 CO 0.00 0.63 -0.29 0.41 -1.07 0.00 0.00 179.97 179.65 2aff n GLY 32 N 1.47 -1.38 0.27 0.04 0.00 -0.99 -4.91 105.19 99.69 2aff n GLY 32 Ca -0.11 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 2aff n GLY 32 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2aff h ILE 33 N -1.24 1.27 -0.17 -0.61 6.09 -1.92 -2.69 117.51 118.25 2aff h ILE 33 Ca -0.44 -1.45 0.05 0.00 -1.37 0.00 0.00 64.86 61.65 2aff h ILE 33 Cb 1.30 1.25 -0.01 0.00 0.47 0.00 0.00 36.82 39.83 2aff h ILE 33 CO 0.39 0.49 0.18 -0.33 -3.07 0.00 0.00 178.15 175.81 2aff h GLU 34 N 0.79 0.00 -6.09 2.19 5.08 -1.95 -3.42 114.58 111.18 2aff h GLU 34 Ca 0.09 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.77 2aff h GLU 34 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 2aff h GLU 34 CO 0.08 0.00 1.20 0.00 -1.00 0.00 0.00 179.01 179.29 2aff h ASP 36 N 10.17 0.20 -3.19 0.00 3.32 0.41 -3.36 116.42 123.97 2aff h ASP 36 Ca -0.37 -0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.10 2aff h ASP 36 Cb 1.31 -0.05 -0.36 0.00 0.22 0.00 0.00 39.33 40.46 2aff h ASP 36 CO 0.99 0.14 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.19 2aff s ILE 37 N -5.24 1.40 -0.10 0.35 1.01 0.62 -4.91 121.20 114.31 2aff s ILE 37 Ca -0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 2aff s ILE 37 Cb 0.18 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 2aff s ILE 37 CO 0.71 0.43 0.03 -0.13 0.00 0.00 0.00 174.94 175.98 2aff s ARG 38 N 1.34 3.16 -0.09 2.79 0.52 -1.26 -1.98 118.95 123.42 2aff s ARG 38 Ca 0.00 -0.36 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 2aff s ARG 38 Cb -0.14 -2.90 0.01 0.00 0.52 0.00 0.00 34.95 32.44 2aff s ARG 38 CO -0.07 0.67 -0.20 0.42 0.02 0.00 0.00 175.30 176.14 2aff s ILE 39 N -0.77 1.75 -0.05 1.52 1.01 -1.06 -4.94 121.20 118.66 2aff s ILE 39 Ca 0.12 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2aff s ILE 39 Cb -0.12 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.82 2aff s ILE 39 CO 0.02 0.49 0.84 0.00 0.00 0.00 0.00 174.94 176.30 2aff n GLN 40 N 3.70 0.87 -3.19 2.79 6.02 -1.26 -4.49 117.38 121.82 2aff n GLN 40 Ca -0.20 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.39 2aff n GLN 40 Cb 0.52 -1.09 -0.07 0.00 1.02 0.00 0.00 30.24 30.63 2aff n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2aff s LEU 41 N 0.00 4.10 0.00 1.08 1.43 -1.26 -4.93 118.68 119.10 2aff s LEU 41 Ca 0.00 0.67 0.17 0.00 -1.03 0.00 0.00 54.13 53.95 2aff s LEU 41 Cb 0.00 -2.76 0.81 0.00 0.03 0.00 0.00 46.19 44.27 2aff s LEU 41 CO 0.00 -0.26 1.54 -0.81 0.23 0.00 0.00 176.35 177.04 2aff n PRO 42 N 5.22 0.12 -0.21 1.29 -0.04 -1.26 -2.13 135.00 137.99 2aff n PRO 42 Ca -0.03 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 2aff n PRO 42 Cb 0.50 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.68 2aff n PRO 42 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2aff n VAL 43 N -1.40 0.60 -3.72 0.52 0.24 -1.26 -4.87 118.33 108.45 2aff n VAL 43 Ca 0.06 -0.80 -0.38 0.00 -2.04 0.00 0.00 64.34 61.18 2aff n VAL 43 Cb 0.17 0.89 -0.12 0.00 -1.47 0.00 0.00 33.84 33.31 2aff n VAL 43 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2aff s VAL 44 N -1.34 4.18 0.99 3.34 1.01 -0.90 -4.81 120.40 122.87 2aff s VAL 44 Ca 0.38 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 2aff s VAL 44 Cb 0.22 -3.18 -0.11 0.00 0.00 0.00 0.00 36.38 33.30 2aff s VAL 44 CO 0.30 0.02 -1.10 -0.24 0.00 0.00 0.00 175.10 174.09 2aff n SER 45 N 4.91 -2.81 -0.28 3.32 2.88 -1.26 -4.30 113.62 116.07 2aff n SER 45 Ca -0.14 -0.04 -0.06 0.00 -1.33 0.00 0.00 58.87 57.30 2aff n SER 45 Cb 0.48 -0.60 0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2aff n SER 45 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2aff h LYS 46 N -1.33 1.17 0.00 -1.46 1.57 -1.94 -2.84 116.57 111.73 2aff h LYS 46 Ca -0.39 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2aff h LYS 46 Cb 1.29 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2aff h LYS 46 CO 0.23 0.95 -0.70 1.04 -0.57 0.00 0.00 179.45 180.39 2aff n GLN 47 N -4.30 3.02 0.00 3.15 6.02 -1.26 -2.17 117.38 121.84 2aff n GLN 47 Ca 0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2aff n GLN 47 Cb 0.18 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.47 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2aff n HIS 48 N -1.38 0.00 -4.24 1.08 -0.00 -1.06 -3.90 115.22 105.73 2aff n HIS 48 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.56 2aff n HIS 48 Cb 0.15 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.00 2aff n HIS 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2aff s LYS 50 N -0.12 1.53 -0.08 0.00 2.20 -0.28 -0.24 119.74 122.75 2aff s LYS 50 Ca 0.02 -0.43 0.04 0.00 -0.36 0.00 0.00 55.97 55.23 2aff s LYS 50 Cb -0.03 -1.31 -0.01 0.00 -1.51 0.00 0.00 37.83 34.96 2aff s LYS 50 CO -0.00 0.10 -0.19 0.42 -0.36 0.00 0.00 175.35 175.32 2aff s ILE 51 N 0.39 2.55 -0.11 5.43 1.01 -0.15 0.82 121.20 131.15 2aff s ILE 51 Ca -0.09 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.71 2aff s ILE 51 Cb -0.13 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.35 2aff s ILE 51 CO 0.02 0.56 -0.21 -0.70 0.00 0.00 0.00 174.94 174.62 2aff s GLU 52 N -0.11 2.80 -0.29 2.79 2.12 0.10 -1.85 118.70 124.25 2aff s GLU 52 Ca -0.03 -0.78 -0.10 0.00 0.36 0.00 0.00 54.97 54.41 2aff s GLU 52 Cb -0.14 -2.21 -0.03 0.00 0.26 0.00 0.00 34.13 32.01 2aff s GLU 52 CO 0.04 0.06 0.16 0.42 -0.54 0.00 0.00 175.26 175.41 2aff s ILE 53 N 0.63 4.94 -0.06 -3.70 1.01 0.45 -0.54 121.20 123.93 2aff s ILE 53 Ca -0.13 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.46 2aff s ILE 53 Cb -0.16 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 2aff s ILE 53 CO 0.03 0.19 -0.12 -1.00 0.00 0.00 0.00 174.94 174.04 2aff s HIS 54 N 1.69 2.78 0.59 3.97 3.76 0.77 -4.91 115.29 123.95 2aff s HIS 54 Ca 0.06 -0.10 0.33 0.00 -0.15 0.00 0.00 55.06 55.20 2aff s HIS 54 Cb -0.16 -1.66 1.13 0.00 1.11 0.00 0.00 32.58 33.00 2aff s HIS 54 CO 0.08 0.23 1.36 0.39 -0.85 0.00 0.00 174.74 175.96 2aff n GLU 55 N 2.29 0.01 0.10 1.40 -0.58 -1.26 0.10 120.64 122.71 2aff n GLU 55 Ca -0.17 1.04 -0.04 0.00 -0.42 0.00 0.00 57.16 57.56 2aff n GLU 55 Cb 0.52 -2.53 -0.02 0.00 -0.57 0.00 0.00 31.44 28.85 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2aff h GLN 56 N 0.00 -0.26 0.00 3.49 4.20 -2.01 -3.49 115.11 117.04 2aff h GLN 56 Ca 0.61 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.34 2aff h GLN 56 Cb 3.17 0.06 0.00 0.00 0.30 0.00 0.00 27.48 31.01 2aff h GLN 56 CO -0.01 -0.18 0.00 -0.85 -0.67 0.00 0.00 178.83 177.13 2aff n GLU 57 N -2.92 0.00 -4.10 1.46 0.28 0.29 -5.15 120.64 110.50 2aff n GLU 57 Ca -0.03 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.62 2aff n GLU 57 Cb 0.11 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.86 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2aff s ALA 58 N -1.00 3.19 -0.18 -1.84 0.00 -1.26 -0.16 121.76 120.50 2aff s ALA 58 Ca 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 2aff s ALA 58 Cb 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 2aff s ALA 58 CO 0.00 0.03 -0.04 0.42 0.00 0.00 0.00 175.76 176.16 2aff s ILE 59 N 0.67 3.63 -0.22 0.00 -1.09 0.30 -0.52 121.20 123.97 2aff s ILE 59 Ca 0.01 -0.43 -0.10 0.00 -2.23 0.00 0.00 60.65 57.89 2aff s ILE 59 Cb -0.14 -2.61 -0.05 0.00 -1.58 0.00 0.00 42.46 38.08 2aff s ILE 59 CO 0.02 0.46 0.16 -0.22 -1.23 0.00 0.00 174.94 174.13 2aff s LEU 60 N 0.82 4.15 -0.06 2.97 2.96 -0.47 -0.73 118.68 128.32 2aff s LEU 60 Ca -0.01 0.17 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 2aff s LEU 60 Cb -0.15 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 2aff s LEU 60 CO 0.02 0.10 -0.20 -1.00 -1.32 0.00 0.00 176.35 173.95 2aff s HIS 61 N 0.81 2.57 -0.47 5.38 3.76 0.24 -2.27 115.29 125.32 2aff s HIS 61 Ca 0.08 -0.48 -0.16 0.00 -0.15 0.00 0.00 55.06 54.34 2aff s HIS 61 Cb -0.13 -1.63 0.06 0.00 1.11 0.00 0.00 32.58 31.99 2aff s HIS 61 CO 0.02 -0.06 0.44 1.21 -0.85 0.00 0.00 174.74 175.51 2aff s ASN 62 N -0.34 6.17 0.00 1.40 2.47 -1.26 -1.13 114.94 122.25 2aff s ASN 62 Ca 0.02 -1.11 0.22 0.00 0.42 0.00 0.00 52.86 52.42 2aff s ASN 62 Cb -0.12 -2.21 -0.06 0.00 -1.45 0.00 0.00 41.25 37.40 2aff s ASN 62 CO 0.02 -0.67 1.02 0.49 -3.72 0.00 0.00 177.10 174.25 2aff n PHE 63 N 5.46 0.00 -2.59 0.43 3.01 -0.35 -4.84 117.46 118.58 2aff n PHE 63 Ca -0.10 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.94 2aff n PHE 63 Cb 0.45 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.86 2aff n PHE 63 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2aff s SER 64 N -2.86 6.20 0.06 4.37 0.15 -0.23 -4.71 113.70 116.68 2aff s SER 64 Ca 0.11 -0.64 -0.14 0.00 0.70 0.00 0.00 55.95 55.99 2aff s SER 64 Cb 0.17 -2.54 -0.28 0.00 -1.71 0.00 0.00 66.02 61.65 2aff s SER 64 CO 0.77 -1.75 1.11 -1.28 1.20 0.00 0.00 173.24 173.29 2aff h SER 65 N 9.94 0.86 -0.30 5.45 0.87 -1.91 -2.77 113.55 125.69 2aff h SER 65 Ca -0.23 -0.79 -0.02 0.00 -1.23 0.00 0.00 61.79 59.52 2aff h SER 65 Cb 1.05 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 2aff h SER 65 CO 1.28 1.60 0.12 0.74 -0.53 0.00 0.00 176.83 180.04 2aff h THR 66 N 0.27 1.17 -2.78 2.23 2.02 -1.99 -3.39 112.91 110.45 2aff h THR 66 Ca -0.19 -0.53 -0.57 0.00 0.77 0.00 0.00 66.41 65.89 2aff h THR 66 Cb 1.92 0.97 -0.40 0.00 -1.74 0.00 0.00 68.15 68.90 2aff h THR 66 CO 0.24 0.18 -0.80 0.20 0.37 0.00 0.00 175.52 175.71 2aff s ASN 67 N -5.72 3.36 0.57 4.18 0.01 -1.25 -5.14 114.94 110.96 2aff s ASN 67 Ca -0.13 -1.95 -0.20 0.00 -0.71 0.00 0.00 52.86 49.86 2aff s ASN 67 Cb 0.09 -0.55 -0.04 0.00 0.41 0.00 0.00 41.25 41.16 2aff s ASN 67 CO 0.73 -0.35 1.24 -2.16 -1.51 0.00 0.00 177.10 175.05 2aff s PRO 68 N 1.29 3.09 0.56 -0.60 0.04 -1.04 -4.64 135.00 133.69 2aff s PRO 68 Ca 0.15 1.92 -0.17 0.00 0.04 0.00 0.00 61.00 62.94 2aff s PRO 68 Cb -0.21 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 2aff s PRO 68 CO -0.12 -1.14 1.04 0.99 0.04 0.00 0.00 177.00 177.81 2aff s THR 69 N -1.51 3.93 -0.03 1.26 2.01 -1.26 -4.87 115.64 115.17 2aff s THR 69 Ca 0.75 0.98 0.05 0.00 0.31 0.00 0.00 61.69 63.77 2aff s THR 69 Cb -0.33 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2aff s THR 69 CO 0.37 -0.48 -0.17 -1.10 -0.69 0.00 0.00 174.62 172.55 2aff s GLN 70 N -3.89 2.38 -0.03 4.92 -0.21 -0.95 -1.06 119.66 120.83 2aff s GLN 70 Ca 0.64 -0.77 0.03 0.00 0.02 0.00 0.00 55.36 55.28 2aff s GLN 70 Cb -0.15 -2.29 -0.00 0.00 1.00 0.00 0.00 33.01 31.57 2aff s GLN 70 CO 0.32 0.60 -0.13 0.08 -2.12 0.00 0.00 175.29 174.05 2aff s VAL 71 N -0.73 1.07 -1.23 1.09 1.01 0.33 0.14 120.40 122.09 2aff s VAL 71 Ca 0.12 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 2aff s VAL 71 Cb -0.10 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.37 2aff s VAL 71 CO 0.01 0.32 0.25 0.59 0.00 0.00 0.00 175.10 176.26 2aff n ASN 72 N 3.16 -4.21 -0.70 3.32 3.02 -0.08 0.18 115.26 119.96 2aff n ASN 72 Ca -0.18 -0.07 -0.07 0.00 -0.03 0.00 0.00 54.58 54.23 2aff n ASN 72 Cb 0.54 -3.51 -0.02 0.00 -0.61 0.00 0.00 39.78 36.18 2aff n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aff n GLY 73 N -1.03 0.50 2.90 7.41 0.00 -1.26 -5.03 105.19 108.68 2aff n GLY 73 Ca -0.10 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 2aff n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aff s SER 74 N -2.80 0.14 0.26 1.61 0.15 0.13 -5.10 113.70 108.09 2aff s SER 74 Ca 0.00 -0.08 -0.30 0.00 0.70 0.00 0.00 55.95 56.27 2aff s SER 74 Cb 0.00 0.00 -0.10 0.00 -1.71 0.00 0.00 66.02 64.21 2aff s SER 74 CO 0.00 -0.03 1.38 -0.69 1.20 0.00 0.00 173.24 175.10 2aff s VAL 75 N -0.22 2.76 -0.95 4.45 1.01 -1.26 0.12 120.40 126.31 2aff s VAL 75 Ca -0.02 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 2aff s VAL 75 Cb -0.02 -3.42 0.23 0.00 0.00 0.00 0.00 36.38 33.17 2aff s VAL 75 CO -0.00 0.12 0.86 0.27 0.00 0.00 0.00 175.10 176.35 2aff s ILE 76 N -0.31 4.72 0.40 2.22 -4.36 -0.22 -4.86 121.20 118.81 2aff s ILE 76 Ca 0.56 -3.80 0.11 0.00 -0.26 0.00 0.00 60.65 57.25 2aff s ILE 76 Cb -0.40 -3.90 0.17 0.00 1.25 0.00 0.00 42.46 39.57 2aff s ILE 76 CO 0.45 -1.11 1.94 0.44 0.24 0.00 0.00 174.94 176.90 2aff h ASP 77 N 6.12 0.18 -2.73 4.36 3.32 -1.94 -3.43 116.42 122.30 2aff h ASP 77 Ca 0.17 -0.03 -0.59 0.00 0.02 0.00 0.00 57.03 56.59 2aff h ASP 77 Cb 0.82 -0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.22 2aff h ASP 77 CO 0.89 0.33 -0.66 -1.83 -1.72 0.00 0.00 179.24 176.26 2aff s GLU 78 N -4.74 2.38 0.55 3.56 -1.05 -1.26 -4.91 118.70 113.21 2aff s GLU 78 Ca -0.05 -1.18 -0.21 0.00 -0.15 0.00 0.00 54.97 53.38 2aff s GLU 78 Cb 0.16 -2.31 -0.05 0.00 -0.44 0.00 0.00 34.13 31.49 2aff s GLU 78 CO 0.72 0.43 1.28 -1.25 0.95 0.00 0.00 175.26 177.40 2aff s PRO 79 N -3.10 3.19 0.01 -4.83 0.04 -1.26 -4.85 135.00 124.19 2aff s PRO 79 Ca 0.28 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.36 2aff s PRO 79 Cb -0.09 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2aff s PRO 79 CO 0.19 -1.09 -0.01 0.14 0.04 0.00 0.00 177.00 176.27 2aff s VAL 80 N -1.42 0.06 0.18 -0.36 -7.23 -0.96 -5.01 120.40 105.66 2aff s VAL 80 Ca 0.72 -0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 60.12 2aff s VAL 80 Cb -0.36 -0.15 -0.08 0.00 0.56 0.00 0.00 36.38 36.35 2aff s VAL 80 CO 0.41 -0.26 1.14 -0.13 -0.31 0.00 0.00 175.10 175.95 2aff s ARG 81 N -0.76 4.55 0.09 4.82 0.52 -1.26 -1.37 118.95 125.53 2aff s ARG 81 Ca -0.08 1.78 -0.29 0.00 -0.52 0.00 0.00 55.73 56.62 2aff s ARG 81 Cb -0.05 -3.26 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 2aff s ARG 81 CO -0.00 0.01 0.92 -0.51 0.02 0.00 0.00 175.30 175.74 2aff s LEU 82 N -0.35 4.48 0.08 2.53 1.43 0.33 -4.89 118.68 122.27 2aff s LEU 82 Ca 0.50 1.71 0.06 0.00 -1.03 0.00 0.00 54.13 55.37 2aff s LEU 82 Cb -0.31 -3.51 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 2aff s LEU 82 CO 0.36 -0.07 -0.17 -0.54 0.23 0.00 0.00 176.35 176.17 2aff s LYS 83 N 0.08 0.96 -0.20 1.70 1.02 -1.26 -4.51 119.74 117.52 2aff s LYS 83 Ca 0.46 -1.00 -0.36 0.00 0.02 0.00 0.00 55.97 55.08 2aff s LYS 83 Cb -0.23 -1.06 -0.13 0.00 -0.52 0.00 0.00 37.83 35.90 2aff s LYS 83 CO 0.28 0.24 1.89 1.58 -0.92 0.00 0.00 175.35 178.43 2aff n HIS 84 N 1.31 2.12 0.00 3.18 -0.00 -1.26 -0.39 115.22 120.18 2aff n HIS 84 Ca -0.20 0.23 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 2aff n HIS 84 Cb 0.54 -2.57 0.00 0.00 -0.00 0.00 0.00 29.99 27.95 2aff n HIS 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2aff n GLY 85 N 4.70 1.86 3.72 1.57 0.00 -1.01 -4.98 105.19 111.06 2aff n GLY 85 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 2aff n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aff s ASP 86 N -1.75 6.87 -0.10 1.61 1.01 0.48 -4.82 116.67 119.97 2aff s ASP 86 Ca 0.00 2.34 0.01 0.00 0.71 0.00 0.00 52.55 55.61 2aff s ASP 86 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 2aff s ASP 86 CO 0.00 -0.59 -0.13 -0.69 0.21 0.00 0.00 175.17 173.97 2aff s VAL 87 N 0.66 3.11 -0.16 -1.27 1.01 -1.26 -1.49 120.40 121.00 2aff s VAL 87 Ca 0.61 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 2aff s VAL 87 Cb -0.36 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2aff s VAL 87 CO 0.34 0.55 0.08 -0.63 0.00 0.00 0.00 175.10 175.43 2aff s ILE 88 N -0.07 4.95 -0.12 2.22 1.01 -0.33 -0.91 121.20 127.95 2aff s ILE 88 Ca -0.02 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.67 2aff s ILE 88 Cb -0.14 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.13 2aff s ILE 88 CO 0.04 0.50 -0.22 -0.89 0.00 0.00 0.00 174.94 174.37 2aff s THR 89 N -0.02 2.02 -0.12 2.92 2.01 0.38 0.11 115.64 122.95 2aff s THR 89 Ca 0.07 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.11 2aff s THR 89 Cb -0.12 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 2aff s THR 89 CO 0.01 0.55 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.68 2aff s ILE 90 N 0.65 2.72 -0.05 1.82 1.01 0.86 -2.23 121.20 125.98 2aff s ILE 90 Ca -0.11 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 2aff s ILE 90 Cb -0.16 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2aff s ILE 90 CO 0.02 0.54 0.11 -0.38 0.00 0.00 0.00 174.94 175.23 2aff n ILE 91 N 3.48 0.00 0.00 2.92 5.41 -1.26 0.34 119.36 130.24 2aff n ILE 91 Ca -0.18 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2aff n ILE 91 Cb 0.53 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.45 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2aff n ASP 92 N 0.37 0.00 -4.13 4.38 2.03 -1.26 -5.02 116.55 112.92 2aff n ASP 92 Ca 0.03 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.15 2aff n ASP 92 Cb 0.00 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.28 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2aff s ARG 93 N -0.38 0.83 0.04 -0.67 0.52 1.03 -4.27 118.95 116.06 2aff s ARG 93 Ca 0.00 -0.76 -0.01 0.00 -0.52 0.00 0.00 55.73 54.44 2aff s ARG 93 Cb 0.00 -0.81 -0.03 0.00 0.52 0.00 0.00 34.95 34.62 2aff s ARG 93 CO 0.00 0.19 -0.03 -1.54 0.02 0.00 0.00 175.30 173.95 2aff s SER 94 N -1.24 0.39 -0.07 0.23 1.04 -1.26 0.30 113.70 113.10 2aff s SER 94 Ca -0.00 -0.81 0.01 0.00 0.48 0.00 0.00 55.95 55.63 2aff s SER 94 Cb -0.08 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.22 2aff s SER 94 CO 0.01 -0.49 -0.09 -0.36 0.98 0.00 0.00 173.24 173.29 2aff s PHE 95 N -3.00 1.24 -0.02 5.02 0.40 0.12 -1.42 117.98 120.31 2aff s PHE 95 Ca -0.02 -0.46 -0.20 0.00 -0.60 0.00 0.00 56.93 55.66 2aff s PHE 95 Cb 0.01 -0.97 -0.05 0.00 0.51 0.00 0.00 43.02 42.52 2aff s PHE 95 CO -0.07 -0.29 0.57 1.03 0.70 0.00 0.00 175.22 177.17 2aff s ARG 96 N 0.92 4.29 -0.22 0.44 0.52 -0.85 -1.18 118.95 122.87 2aff s ARG 96 Ca -0.10 0.68 -0.15 0.00 -0.52 0.00 0.00 55.73 55.64 2aff s ARG 96 Cb -0.15 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 2aff s ARG 96 CO 0.01 0.36 0.36 -0.47 0.02 0.00 0.00 175.30 175.58 2aff s TYR 97 N -0.15 3.35 -0.09 -0.53 5.04 -0.56 -2.35 117.35 122.06 2aff s TYR 97 Ca 0.30 0.53 0.02 0.00 -2.44 0.00 0.00 57.07 55.48 2aff s TYR 97 Cb -0.18 -2.49 0.01 0.00 0.35 0.00 0.00 41.96 39.65 2aff s TYR 97 CO 0.16 -0.03 -0.16 -1.21 -1.34 0.00 0.00 175.55 172.97 2aff s GLU 98 N 1.37 2.23 -0.19 4.97 2.02 -0.75 -2.40 118.70 125.95 2aff s GLU 98 Ca 0.17 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.58 2aff s GLU 98 Cb -0.15 -1.82 0.04 0.00 0.10 0.00 0.00 34.13 32.30 2aff s GLU 98 CO 0.08 0.02 -0.09 1.21 0.02 0.00 0.00 175.26 176.49 2aff s ASN 99 N 0.75 3.26 0.00 -0.19 3.84 -1.26 -0.80 114.94 120.54 2aff s ASN 99 Ca -0.12 -0.84 0.18 0.00 0.21 0.00 0.00 52.86 52.30 2aff s ASN 99 Cb -0.16 -1.14 1.10 0.00 -0.55 0.00 0.00 41.25 40.50 2aff s ASN 99 CO 0.02 -0.16 1.50 1.21 -2.79 0.00 0.00 177.10 176.88