#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 1.20 -3.63 0.52 -2.24 -1.26 -4.95 114.28 103.92 2aff n THR 4 Ca 0.00 -0.33 -0.36 0.00 -2.27 0.00 0.00 64.05 61.09 2aff n THR 4 Cb 0.00 -1.71 -0.07 0.00 -2.10 0.00 0.00 70.33 66.45 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 -2.40 4.09 0.02 -0.78 0.52 -1.26 -0.84 118.95 118.30 2aff s ARG 5 Ca -0.30 0.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 2aff s ARG 5 Cb 0.11 -3.37 -0.02 0.00 0.52 0.00 0.00 34.95 32.19 2aff s ARG 5 CO 0.40 0.37 -0.09 1.03 0.02 0.00 0.00 175.30 177.04 2aff s ARG 6 N 0.08 0.61 -0.00 3.54 0.52 -0.52 -2.19 118.95 120.99 2aff s ARG 6 Ca 0.15 -0.56 0.05 0.00 -0.52 0.00 0.00 55.73 54.85 2aff s ARG 6 Cb -0.13 -0.51 -0.03 0.00 0.52 0.00 0.00 34.95 34.80 2aff s ARG 6 CO 0.03 0.12 -0.14 -0.51 0.02 0.00 0.00 175.30 174.83 2aff s LEU 7 N -0.95 2.80 -0.12 2.53 1.43 -0.89 -1.71 118.68 121.77 2aff s LEU 7 Ca -0.03 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2aff s LEU 7 Cb -0.07 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 2aff s LEU 7 CO 0.00 0.30 -0.16 -0.69 0.23 0.00 0.00 176.35 176.03 2aff s VAL 8 N -0.87 2.76 -0.27 -1.59 1.01 -0.97 -0.40 120.40 120.07 2aff s VAL 8 Ca 0.14 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 2aff s VAL 8 Cb -0.11 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 2aff s VAL 8 CO 0.04 0.53 0.59 -0.89 0.00 0.00 0.00 175.10 175.38 2aff s THR 9 N 0.35 5.00 0.11 3.92 2.01 -0.86 -2.13 115.64 124.05 2aff s THR 9 Ca -0.13 0.98 -0.29 0.00 0.31 0.00 0.00 61.69 62.56 2aff s THR 9 Cb -0.17 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.37 2aff s THR 9 CO 0.07 0.00 0.90 -0.63 -0.69 0.00 0.00 174.62 174.27 2aff s ILE 10 N 2.46 4.50 0.44 1.82 -1.09 -0.93 -2.43 121.20 125.97 2aff s ILE 10 Ca 0.24 1.95 -0.09 0.00 -2.23 0.00 0.00 60.65 60.52 2aff s ILE 10 Cb -0.15 -4.27 -0.06 0.00 -1.58 0.00 0.00 42.46 36.40 2aff s ILE 10 CO 0.09 0.36 0.80 -0.54 -1.23 0.00 0.00 174.94 174.42 2aff s LYS 11 N -0.20 3.72 0.40 2.79 1.02 0.17 -4.54 119.74 123.09 2aff s LYS 11 Ca 0.44 0.44 0.08 0.00 0.02 0.00 0.00 55.97 56.95 2aff s LYS 11 Cb -0.23 -2.36 0.87 0.00 -0.52 0.00 0.00 37.83 35.59 2aff s LYS 11 CO 0.28 -0.12 2.01 0.00 -0.92 0.00 0.00 175.35 176.61 2aff h ARG 12 N 0.91 0.56 0.00 1.68 3.08 -1.87 0.42 114.38 119.16 2aff h ARG 12 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2aff h ARG 12 Cb 1.19 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2aff h ARG 12 CO 0.63 0.37 0.00 0.66 -1.07 0.00 0.00 179.97 180.56 2aff h SER 13 N 0.58 0.00 -0.07 7.04 4.64 -1.95 -3.46 113.55 120.32 2aff h SER 13 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2aff h SER 13 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2aff h SER 13 CO -0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 2aff n GLY 14 N 0.04 1.41 3.22 -0.77 0.00 0.15 -5.10 105.19 104.13 2aff n GLY 14 Ca 0.01 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.07 1.94 0.21 1.61 1.01 -1.24 -4.84 120.40 117.01 2aff s VAL 15 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 2aff s VAL 15 Cb 0.00 -1.66 -0.08 0.00 0.00 0.00 0.00 36.38 34.64 2aff s VAL 15 CO 0.00 0.54 1.17 -1.81 0.00 0.00 0.00 175.10 174.99 2aff s ASP 16 N 0.09 7.14 0.00 3.32 1.01 -1.26 -0.66 116.67 126.31 2aff s ASP 16 Ca -0.10 2.24 0.00 0.00 0.71 0.00 0.00 52.55 55.40 2aff s ASP 16 Cb -0.15 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.17 2aff s ASP 16 CO 0.05 -0.31 0.00 0.61 0.21 0.00 0.00 175.17 175.74 2aff n GLY 17 N 1.91 3.23 3.77 0.21 0.00 -1.02 -4.94 105.19 108.35 2aff n GLY 17 Ca 0.03 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 2.46 4.12 -0.10 1.61 0.04 -1.26 -4.78 135.00 137.09 2aff s PRO 18 Ca 0.00 1.78 -0.02 0.00 0.04 0.00 0.00 61.00 62.80 2aff s PRO 18 Cb 0.00 -2.69 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 2aff s PRO 18 CO 0.00 -0.24 -0.02 -1.01 0.04 0.00 0.00 177.00 175.77 2aff s HIS 19 N -1.44 3.09 -0.57 0.56 3.76 -1.26 -2.02 115.29 117.42 2aff s HIS 19 Ca 0.56 0.07 -0.09 0.00 -0.15 0.00 0.00 55.06 55.45 2aff s HIS 19 Cb -0.29 -1.81 0.15 0.00 1.11 0.00 0.00 32.58 31.73 2aff s HIS 19 CO 0.37 0.35 0.45 0.12 -0.85 0.00 0.00 174.74 175.17 2aff s PHE 20 N -0.61 3.47 0.18 1.40 5.36 0.46 -4.95 117.98 123.29 2aff s PHE 20 Ca 0.10 -2.01 -0.30 0.00 -0.96 0.00 0.00 56.93 53.76 2aff s PHE 20 Cb -0.12 -3.53 -0.08 0.00 -0.34 0.00 0.00 43.02 38.96 2aff s PHE 20 CO 0.02 -0.97 1.21 -1.25 -1.46 0.00 0.00 175.22 172.77 2aff s PRO 21 N 0.91 4.48 -1.30 10.12 0.04 -1.26 -2.10 135.00 145.88 2aff s PRO 21 Ca 0.10 1.88 -0.13 0.00 0.04 0.00 0.00 61.00 62.89 2aff s PRO 21 Cb -0.23 -3.25 0.13 0.00 0.04 0.00 0.00 34.50 31.20 2aff s PRO 21 CO -0.02 -0.11 1.82 1.28 0.04 0.00 0.00 177.00 180.00 2aff n LEU 22 N 2.63 6.07 0.01 -3.56 4.77 -0.93 -4.63 117.00 121.36 2aff n LEU 22 Ca 0.05 -4.38 0.14 0.00 -0.03 0.00 0.00 56.01 51.78 2aff n LEU 22 Cb 0.45 -1.59 0.60 0.00 -2.33 0.00 0.00 43.42 40.54 2aff n LEU 22 CO 0.56 0.97 0.95 -1.54 -1.33 0.00 0.00 177.39 176.99 2aff n SER 23 N 5.48 0.04 -4.75 -1.43 3.41 -1.26 -4.75 113.62 110.36 2aff n SER 23 Ca 0.43 0.50 -0.31 0.00 -0.26 0.00 0.00 58.87 59.23 2aff n SER 23 Cb 0.40 -0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 2aff n SER 23 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2aff s LEU 24 N -3.08 3.75 0.35 1.04 1.43 -1.26 -5.00 118.68 115.92 2aff s LEU 24 Ca 0.14 0.02 0.27 0.00 -1.03 0.00 0.00 54.13 53.52 2aff s LEU 24 Cb 0.18 -2.33 1.17 0.00 0.03 0.00 0.00 46.19 45.24 2aff s LEU 24 CO 0.52 0.22 1.80 -1.28 0.23 0.00 0.00 176.35 177.84 2aff h SER 25 N 3.68 0.00 -3.82 2.29 0.87 -1.90 -3.43 113.55 111.24 2aff h SER 25 Ca -0.48 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 59.71 2aff h SER 25 Cb 1.17 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.83 2aff h SER 25 CO 0.63 0.00 -0.77 -0.89 -0.53 0.00 0.00 176.83 175.27 2aff s THR 26 N -3.47 0.56 -0.08 2.23 2.01 -1.26 -0.42 115.64 115.21 2aff s THR 26 Ca 0.02 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.77 2aff s THR 26 Cb 0.09 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 72.12 2aff s THR 26 CO 0.40 0.18 -0.06 0.00 -0.69 0.00 0.00 174.62 174.45 2aff s LEU 28 N 1.34 2.26 -0.13 0.00 2.96 -1.26 0.27 118.68 124.13 2aff s LEU 28 Ca -0.03 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 2aff s LEU 28 Cb -0.14 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2aff s LEU 28 CO -0.03 0.16 0.02 -0.36 -1.32 0.00 0.00 176.35 174.81 2aff s PHE 29 N 0.38 3.18 -5.00 5.38 0.40 0.17 0.27 117.98 122.77 2aff s PHE 29 Ca -0.16 0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 2aff s PHE 29 Cb -0.17 -1.92 0.00 0.00 0.51 0.00 0.00 43.02 41.44 2aff s PHE 29 CO 0.07 0.28 0.00 0.41 0.70 0.00 0.00 175.22 176.68 2aff n GLY 30 N 2.86 -1.99 0.13 4.36 0.00 -0.84 -2.42 105.19 107.30 2aff n GLY 30 Ca -0.18 -1.42 -0.07 0.00 0.00 0.00 0.00 46.02 44.35 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 1.12 0.18 -6.58 1.61 3.08 -1.38 -3.17 114.38 109.24 2aff h ARG 31 Ca 0.00 -0.18 -0.58 0.00 0.07 0.00 0.00 59.98 59.30 2aff h ARG 31 Cb 0.00 0.05 0.17 0.00 0.08 0.00 0.00 29.97 30.27 2aff h ARG 31 CO 0.00 0.89 -0.33 0.41 -1.07 0.00 0.00 179.97 179.87 2aff n GLY 32 N 0.72 -1.36 0.27 0.04 0.00 -1.05 -4.85 105.19 98.96 2aff n GLY 32 Ca -0.03 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 0.13 1.26 -0.17 -0.61 6.09 -1.91 -2.17 117.51 120.13 2aff h ILE 33 Ca -0.46 -1.08 0.05 0.00 -1.37 0.00 0.00 64.86 62.00 2aff h ILE 33 Cb 1.38 0.93 -0.01 0.00 0.47 0.00 0.00 36.82 39.60 2aff h ILE 33 CO 0.46 0.38 0.23 -0.33 -3.07 0.00 0.00 178.15 175.83 2aff h GLU 34 N 0.78 0.00 -6.20 2.19 5.08 -1.96 -3.41 114.58 111.06 2aff h GLU 34 Ca 0.15 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.90 2aff h GLU 34 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 2aff h GLU 34 CO 0.02 0.00 1.22 0.00 -1.00 0.00 0.00 179.01 179.25 2aff h ASP 36 N 10.69 0.00 -3.20 0.00 3.32 -0.43 -3.35 116.42 123.46 2aff h ASP 36 Ca -0.45 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.01 2aff h ASP 36 Cb 1.27 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.46 2aff h ASP 36 CO 0.96 0.00 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.03 2aff s ILE 37 N -4.97 1.46 -0.13 0.35 1.01 -0.30 -4.95 121.20 113.68 2aff s ILE 37 Ca -0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 2aff s ILE 37 Cb 0.18 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2aff s ILE 37 CO 0.67 0.37 0.06 -0.13 0.00 0.00 0.00 174.94 175.90 2aff s ARG 38 N 1.52 3.43 -0.11 2.79 0.52 -1.26 -1.98 118.95 123.86 2aff s ARG 38 Ca 0.04 -0.31 0.03 0.00 -0.52 0.00 0.00 55.73 54.96 2aff s ARG 38 Cb -0.14 -3.03 -0.00 0.00 0.52 0.00 0.00 34.95 32.30 2aff s ARG 38 CO -0.10 0.59 -0.20 0.42 0.02 0.00 0.00 175.30 176.02 2aff s ILE 39 N -0.52 2.38 0.00 1.52 1.01 -1.20 -4.97 121.20 119.42 2aff s ILE 39 Ca 0.10 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.85 2aff s ILE 39 Cb -0.12 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.41 2aff s ILE 39 CO 0.02 0.55 1.14 0.00 0.00 0.00 0.00 174.94 176.64 2aff n GLN 40 N 3.54 0.75 -5.15 2.79 6.02 -1.26 -4.63 117.38 119.44 2aff n GLN 40 Ca -0.19 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.48 2aff n GLN 40 Cb 0.53 -1.13 -0.16 0.00 1.02 0.00 0.00 30.24 30.50 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 2.20 0.52 1.08 1.43 -1.26 -5.01 118.68 117.64 2aff s LEU 41 Ca 0.00 -0.51 0.34 0.00 -1.03 0.00 0.00 54.13 52.93 2aff s LEU 41 Cb 0.00 -1.44 1.51 0.00 0.03 0.00 0.00 46.19 46.29 2aff s LEU 41 CO 0.00 0.18 2.00 1.55 0.23 0.00 0.00 176.35 180.31 2aff h PRO 42 N 6.59 0.00 -0.01 1.29 0.13 -2.03 -2.30 132.00 135.68 2aff h PRO 42 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2aff h PRO 42 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2aff h PRO 42 CO 0.48 0.00 -0.00 1.33 -0.23 0.00 0.00 178.00 179.58 2aff n VAL 43 N -2.92 0.00 -3.15 1.56 0.24 -1.26 -4.80 118.33 107.99 2aff n VAL 43 Ca 0.00 -0.10 -0.39 0.00 -2.04 0.00 0.00 64.34 61.81 2aff n VAL 43 Cb 0.24 -0.11 -0.05 0.00 -1.47 0.00 0.00 33.84 32.44 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 -2.01 4.96 0.86 3.34 1.01 -0.87 -4.99 120.40 122.70 2aff s VAL 44 Ca 0.44 1.31 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 2aff s VAL 44 Cb 0.22 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.74 2aff s VAL 44 CO 0.36 0.36 1.10 -0.44 0.00 0.00 0.00 175.10 176.47 2aff s SER 45 N 0.19 3.66 0.22 3.32 0.01 -1.26 -4.53 113.70 115.30 2aff s SER 45 Ca 0.33 1.73 -0.09 0.00 1.31 0.00 0.00 55.95 59.23 2aff s SER 45 Cb -0.18 -2.38 0.17 0.00 0.21 0.00 0.00 66.02 63.85 2aff s SER 45 CO 0.17 -2.56 1.86 0.11 0.41 0.00 0.00 173.24 173.24 2aff h LYS 46 N -1.49 1.10 0.00 12.44 1.57 -1.94 -2.16 116.57 126.09 2aff h LYS 46 Ca -0.47 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.17 2aff h LYS 46 Cb 1.26 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2aff h LYS 46 CO 0.51 0.77 -1.28 1.04 -0.57 0.00 0.00 179.45 179.92 2aff n GLN 47 N -4.46 1.79 0.00 3.15 1.13 -1.26 -2.54 117.38 115.19 2aff n GLN 47 Ca 0.08 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 2aff n GLN 47 Cb 0.06 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.29 2aff n GLN 47 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2aff n HIS 48 N -1.94 0.00 -4.49 1.08 -0.00 -1.21 -4.07 115.22 104.58 2aff n HIS 48 Ca -0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.45 2aff n HIS 48 Cb 0.41 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.24 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 0.32 1.90 -0.10 0.00 2.20 -0.46 0.46 119.74 124.07 2aff s LYS 50 Ca -0.06 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.04 2aff s LYS 50 Cb -0.11 -1.56 -0.02 0.00 -1.51 0.00 0.00 37.83 34.63 2aff s LYS 50 CO 0.01 0.11 -0.16 0.42 -0.36 0.00 0.00 175.35 175.38 2aff s ILE 51 N 0.43 2.83 -0.13 5.43 1.01 0.14 0.10 121.20 131.02 2aff s ILE 51 Ca -0.12 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.79 2aff s ILE 51 Cb -0.15 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.19 2aff s ILE 51 CO 0.04 0.55 -0.21 -1.61 0.00 0.00 0.00 174.94 173.71 2aff s GLU 52 N -0.00 3.06 -0.27 2.79 2.02 -0.01 -1.35 118.70 124.95 2aff s GLU 52 Ca -0.05 -0.84 -0.08 0.00 0.02 0.00 0.00 54.97 54.02 2aff s GLU 52 Cb -0.14 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 2aff s GLU 52 CO 0.04 0.05 0.08 0.42 0.02 0.00 0.00 175.26 175.88 2aff s ILE 53 N 0.67 4.27 -0.01 -1.63 1.01 0.43 -1.07 121.20 124.89 2aff s ILE 53 Ca -0.10 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.27 2aff s ILE 53 Cb -0.16 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 2aff s ILE 53 CO 0.01 0.24 -0.13 -1.00 0.00 0.00 0.00 174.94 174.06 2aff s HIS 54 N 1.59 2.71 0.57 3.97 3.76 0.16 -4.87 115.29 123.17 2aff s HIS 54 Ca 0.05 -0.15 0.48 0.00 -0.15 0.00 0.00 55.06 55.29 2aff s HIS 54 Cb -0.16 -1.57 1.65 0.00 1.11 0.00 0.00 32.58 33.61 2aff s HIS 54 CO 0.04 0.26 1.55 0.93 -0.85 0.00 0.00 174.74 176.66 2aff h GLU 55 N 4.88 0.00 0.25 1.40 4.39 -2.01 0.38 114.58 123.87 2aff h GLU 55 Ca -0.47 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.21 2aff h GLU 55 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2aff h GLU 55 CO 0.50 0.00 -0.12 1.96 -1.16 0.00 0.00 179.01 180.19 2aff h GLN 56 N 0.00 -0.32 0.00 2.33 4.20 -2.01 -3.49 115.11 115.81 2aff h GLN 56 Ca 0.89 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.62 2aff h GLN 56 Cb 3.68 0.07 0.00 0.00 0.30 0.00 0.00 27.48 31.54 2aff h GLN 56 CO -0.01 -0.22 0.00 -1.91 -0.67 0.00 0.00 178.83 176.02 2aff n GLU 57 N -3.06 0.00 -4.62 1.46 4.07 0.13 -5.16 120.64 113.46 2aff n GLU 57 Ca -0.04 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.73 2aff n GLU 57 Cb 0.13 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.37 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2aff s ALA 58 N -1.08 2.72 -0.11 4.31 0.00 -1.26 -0.67 121.76 125.67 2aff s ALA 58 Ca 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.10 2aff s ALA 58 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.79 2aff s ALA 58 CO 0.00 0.19 -0.22 0.42 0.00 0.00 0.00 175.76 176.15 2aff s ILE 59 N 0.44 2.18 -0.21 0.00 1.01 -0.23 0.14 121.20 124.53 2aff s ILE 59 Ca -0.08 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 59.48 2aff s ILE 59 Cb -0.15 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 2aff s ILE 59 CO 0.04 0.55 0.24 -0.22 0.00 0.00 0.00 174.94 175.56 2aff s LEU 60 N 0.45 4.16 -0.09 2.97 2.96 0.02 -0.83 118.68 128.32 2aff s LEU 60 Ca -0.15 0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2aff s LEU 60 Cb -0.17 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 2aff s LEU 60 CO 0.06 0.05 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.06 2aff s HIS 61 N 0.94 2.92 -0.50 5.38 3.76 0.29 -2.17 115.29 125.91 2aff s HIS 61 Ca 0.12 -0.16 -0.17 0.00 -0.15 0.00 0.00 55.06 54.70 2aff s HIS 61 Cb -0.13 -1.78 0.07 0.00 1.11 0.00 0.00 32.58 31.85 2aff s HIS 61 CO 0.04 0.16 0.52 1.21 -0.85 0.00 0.00 174.74 175.83 2aff s ASN 62 N -0.38 6.18 -0.00 1.40 2.47 -1.26 -1.35 114.94 122.00 2aff s ASN 62 Ca 0.05 -1.21 0.21 0.00 0.42 0.00 0.00 52.86 52.33 2aff s ASN 62 Cb -0.12 -2.24 -0.16 0.00 -1.45 0.00 0.00 41.25 37.28 2aff s ASN 62 CO 0.02 -0.80 0.95 0.49 -3.72 0.00 0.00 177.10 174.04 2aff n PHE 63 N 5.68 0.00 -2.28 0.43 3.01 0.03 -4.84 117.46 119.49 2aff n PHE 63 Ca -0.10 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.97 2aff n PHE 63 Cb 0.44 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.85 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 -3.01 5.69 0.10 4.37 0.15 0.38 -4.53 113.70 116.85 2aff s SER 64 Ca 0.08 -0.13 -0.12 0.00 0.70 0.00 0.00 55.95 56.48 2aff s SER 64 Cb 0.16 -2.55 -0.15 0.00 -1.71 0.00 0.00 66.02 61.77 2aff s SER 64 CO 0.85 -2.13 1.30 0.28 1.20 0.00 0.00 173.24 174.75 2aff h SER 65 N 12.48 0.94 -0.20 5.45 0.02 -1.90 -3.01 113.55 127.34 2aff h SER 65 Ca -0.23 -0.62 -0.01 0.00 -0.84 0.00 0.00 61.79 60.09 2aff h SER 65 Cb 1.10 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 2aff h SER 65 CO 1.25 1.42 0.07 0.74 -1.14 0.00 0.00 176.83 179.18 2aff h THR 66 N 0.53 1.18 -2.51 -2.27 2.02 -2.01 -3.41 112.91 106.45 2aff h THR 66 Ca -0.06 -0.54 -0.45 0.00 0.77 0.00 0.00 66.41 66.13 2aff h THR 66 Cb 1.42 1.17 -0.37 0.00 -1.74 0.00 0.00 68.15 68.63 2aff h THR 66 CO 0.16 0.17 -0.73 0.20 0.37 0.00 0.00 175.52 175.70 2aff s ASN 67 N -5.64 2.74 0.55 4.18 0.01 -1.24 -5.14 114.94 110.41 2aff s ASN 67 Ca -0.14 -1.16 -0.20 0.00 -0.71 0.00 0.00 52.86 50.65 2aff s ASN 67 Cb 0.07 -0.01 -0.07 0.00 0.41 0.00 0.00 41.25 41.66 2aff s ASN 67 CO 0.71 -0.41 0.89 -2.65 -1.51 0.00 0.00 177.10 174.13 2aff n PRO 68 N 5.16 0.92 -2.23 -0.60 -0.02 -1.14 -4.71 135.00 132.39 2aff n PRO 68 Ca -0.03 0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 2aff n PRO 68 Cb 0.43 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 2aff n PRO 68 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2aff s THR 69 N -1.50 2.98 -0.08 3.45 2.01 -1.26 -4.85 115.64 116.38 2aff s THR 69 Ca 0.71 0.97 -0.05 0.00 0.31 0.00 0.00 61.69 63.63 2aff s THR 69 Cb -0.45 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2aff s THR 69 CO 0.51 0.23 0.15 -1.10 -0.69 0.00 0.00 174.62 173.71 2aff s GLN 70 N -1.55 3.42 -0.03 4.92 -0.21 -0.98 -1.94 119.66 123.29 2aff s GLN 70 Ca 0.48 -0.20 0.03 0.00 0.02 0.00 0.00 55.36 55.69 2aff s GLN 70 Cb -0.37 -3.14 0.00 0.00 1.00 0.00 0.00 33.01 30.50 2aff s GLN 70 CO 0.48 0.74 -0.11 0.54 -2.12 0.00 0.00 175.29 174.83 2aff s VAL 71 N -1.12 0.93 -0.93 1.09 0.11 0.61 0.72 120.40 121.81 2aff s VAL 71 Ca 0.19 -0.43 -0.08 0.00 -2.93 0.00 0.00 61.98 58.73 2aff s VAL 71 Cb -0.12 -0.82 0.07 0.00 -1.53 0.00 0.00 36.38 33.97 2aff s VAL 71 CO 0.08 0.29 0.28 0.59 -3.33 0.00 0.00 175.10 173.01 2aff n ASN 72 N 3.32 -2.51 -0.70 3.54 3.02 0.11 0.23 115.26 122.26 2aff n ASN 72 Ca -0.19 -0.17 -0.06 0.00 -0.03 0.00 0.00 54.58 54.14 2aff n ASN 72 Cb 0.54 -2.16 -0.00 0.00 -0.61 0.00 0.00 39.78 37.54 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 -0.88 0.17 2.89 7.41 0.00 -1.26 -5.04 105.19 108.48 2aff n GLY 73 Ca -0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 2aff n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aff s SER 74 N -2.73 -0.02 0.25 1.61 0.01 0.61 -5.10 113.70 108.33 2aff s SER 74 Ca 0.00 0.05 -0.30 0.00 1.31 0.00 0.00 55.95 57.01 2aff s SER 74 Cb 0.00 0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.18 2aff s SER 74 CO 0.00 -0.02 1.17 -0.69 0.41 0.00 0.00 173.24 174.11 2aff s VAL 75 N 0.07 3.41 -0.64 3.43 1.01 -1.26 0.22 120.40 126.65 2aff s VAL 75 Ca -0.01 1.31 -0.06 0.00 0.00 0.00 0.00 61.98 63.23 2aff s VAL 75 Cb -0.01 -3.84 0.17 0.00 0.00 0.00 0.00 36.38 32.70 2aff s VAL 75 CO -0.00 0.27 0.48 0.27 0.00 0.00 0.00 175.10 176.12 2aff s ILE 76 N -0.70 4.13 0.41 2.22 -4.36 -0.82 -4.88 121.20 117.20 2aff s ILE 76 Ca 0.49 -2.68 0.13 0.00 -0.26 0.00 0.00 60.65 58.32 2aff s ILE 76 Cb -0.33 -3.66 0.14 0.00 1.25 0.00 0.00 42.46 39.85 2aff s ILE 76 CO 0.41 -0.89 1.91 0.44 0.24 0.00 0.00 174.94 177.05 2aff h ASP 77 N 7.39 0.03 -2.28 4.36 3.32 -1.94 -3.43 116.42 123.87 2aff h ASP 77 Ca -0.02 -0.01 -0.57 0.00 0.02 0.00 0.00 57.03 56.45 2aff h ASP 77 Cb 0.99 -0.01 -0.13 0.00 0.22 0.00 0.00 39.33 40.40 2aff h ASP 77 CO 0.74 0.29 -0.62 -1.61 -1.72 0.00 0.00 179.24 176.32 2aff s GLU 78 N -4.45 1.81 0.61 3.56 8.01 -1.26 -4.91 118.70 122.07 2aff s GLU 78 Ca -0.04 -2.00 -0.19 0.00 0.01 0.00 0.00 54.97 52.76 2aff s GLU 78 Cb 0.15 -1.38 -0.02 0.00 -4.31 0.00 0.00 34.13 28.56 2aff s GLU 78 CO 0.71 -0.05 1.31 -2.14 0.01 0.00 0.00 175.26 175.10 2aff s PRO 79 N -3.75 2.76 -0.02 0.39 0.02 -1.26 -4.78 135.00 128.36 2aff s PRO 79 Ca 0.34 2.10 -0.04 0.00 0.02 0.00 0.00 61.00 63.43 2aff s PRO 79 Cb 0.08 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.63 2aff s PRO 79 CO 0.16 -1.45 0.09 0.54 -0.33 0.00 0.00 177.00 176.02 2aff s VAL 80 N -1.38 0.03 0.08 3.83 0.11 -0.92 -4.98 120.40 117.16 2aff s VAL 80 Ca 0.79 -0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 59.31 2aff s VAL 80 Cb -0.38 -0.21 -0.06 0.00 -1.53 0.00 0.00 36.38 34.21 2aff s VAL 80 CO 0.42 -0.12 1.13 -0.13 -3.33 0.00 0.00 175.10 173.07 2aff s ARG 81 N -0.37 4.50 0.26 1.54 0.52 -1.26 -0.80 118.95 123.33 2aff s ARG 81 Ca -0.04 1.69 -0.30 0.00 -0.52 0.00 0.00 55.73 56.56 2aff s ARG 81 Cb -0.03 -3.35 -0.09 0.00 0.52 0.00 0.00 34.95 32.00 2aff s ARG 81 CO 0.00 -0.14 0.98 -0.51 0.02 0.00 0.00 175.30 175.66 2aff s LEU 82 N 0.70 4.60 0.07 2.53 1.43 0.37 -4.92 118.68 123.46 2aff s LEU 82 Ca 0.55 2.03 0.06 0.00 -1.03 0.00 0.00 54.13 55.74 2aff s LEU 82 Cb -0.28 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.27 2aff s LEU 82 CO 0.30 0.06 -0.17 -0.54 0.23 0.00 0.00 176.35 176.24 2aff s LYS 83 N -1.32 0.99 -0.14 1.70 1.02 -1.26 -4.53 119.74 116.21 2aff s LYS 83 Ca 0.43 -0.95 -0.33 0.00 0.02 0.00 0.00 55.97 55.14 2aff s LYS 83 Cb -0.27 -1.08 -0.11 0.00 -0.52 0.00 0.00 37.83 35.85 2aff s LYS 83 CO 0.34 0.26 1.98 1.58 -0.92 0.00 0.00 175.35 178.59 2aff n HIS 84 N 1.48 2.18 0.00 3.18 -0.00 -1.26 -0.28 115.22 120.52 2aff n HIS 84 Ca -0.19 -0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.52 2aff n HIS 84 Cb 0.54 -2.66 0.00 0.00 -0.00 0.00 0.00 29.99 27.87 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 4.92 0.75 3.70 1.57 0.00 -0.99 -4.98 105.19 110.17 2aff n GLY 85 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2aff n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aff s ASP 86 N -1.93 7.03 -0.13 1.61 -1.08 0.61 -4.87 116.67 117.90 2aff s ASP 86 Ca 0.00 2.00 -0.02 0.00 -0.52 0.00 0.00 52.55 54.01 2aff s ASP 86 Cb 0.00 -2.57 -0.03 0.00 -1.46 0.00 0.00 42.92 38.86 2aff s ASP 86 CO 0.00 -0.54 -0.05 -0.69 0.52 0.00 0.00 175.17 174.40 2aff s VAL 87 N 1.53 3.76 -0.14 1.11 1.01 -1.26 -2.03 120.40 124.38 2aff s VAL 87 Ca 0.59 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 2aff s VAL 87 Cb -0.29 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2aff s VAL 87 CO 0.27 0.53 0.03 -0.63 0.00 0.00 0.00 175.10 175.30 2aff s ILE 88 N 0.04 4.54 -0.12 2.22 1.01 -0.99 0.05 121.20 127.94 2aff s ILE 88 Ca -0.01 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.53 2aff s ILE 88 Cb -0.14 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.36 2aff s ILE 88 CO 0.03 0.53 -0.21 -0.89 0.00 0.00 0.00 174.94 174.40 2aff s THR 89 N -0.16 1.90 -0.16 2.92 2.01 0.22 -0.82 115.64 121.55 2aff s THR 89 Ca 0.06 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 61.16 2aff s THR 89 Cb -0.12 -1.68 -0.00 0.00 0.01 0.00 0.00 72.50 70.71 2aff s THR 89 CO 0.02 0.52 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.70 2aff s ILE 90 N 0.72 2.77 0.00 1.82 1.01 0.57 -2.30 121.20 125.78 2aff s ILE 90 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 90 Cb -0.16 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.13 2aff s ILE 90 CO 0.01 0.51 0.00 -0.38 0.00 0.00 0.00 174.94 175.08 2aff n ILE 91 N 4.14 0.00 -1.24 2.92 2.08 -1.26 0.23 119.36 126.23 2aff n ILE 91 Ca -0.19 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.20 2aff n ILE 91 Cb 0.52 0.00 0.18 0.00 -0.75 0.00 0.00 39.64 39.58 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2aff n ASP 92 N 3.39 2.36 -4.19 4.38 2.03 -1.26 -5.01 116.55 118.25 2aff n ASP 92 Ca 0.00 -3.37 -0.22 0.00 0.52 0.00 0.00 54.79 51.73 2aff n ASP 92 Cb 0.00 -0.49 -0.13 0.00 -0.72 0.00 0.00 41.12 39.78 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 -3.00 1.06 0.03 -0.67 0.52 0.64 -4.79 118.95 112.73 2aff s ARG 93 Ca 0.36 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 2aff s ARG 93 Cb 0.32 -1.12 -0.02 0.00 0.52 0.00 0.00 34.95 34.65 2aff s ARG 93 CO 0.01 0.27 -0.06 0.45 0.02 0.00 0.00 175.30 175.99 2aff s SER 94 N -1.30 0.62 -0.17 0.23 0.15 -1.26 0.21 113.70 112.18 2aff s SER 94 Ca 0.03 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.29 2aff s SER 94 Cb -0.09 0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.27 2aff s SER 94 CO 0.02 -0.15 -0.20 -0.36 1.20 0.00 0.00 173.24 173.75 2aff s PHE 95 N -1.03 2.74 0.05 3.44 0.40 0.00 -2.18 117.98 121.41 2aff s PHE 95 Ca -0.08 -1.58 -0.25 0.00 -0.60 0.00 0.00 56.93 54.43 2aff s PHE 95 Cb -0.08 -1.89 -0.06 0.00 0.51 0.00 0.00 43.02 41.51 2aff s PHE 95 CO -0.00 -0.77 0.76 1.03 0.70 0.00 0.00 175.22 176.94 2aff s ARG 96 N 1.20 4.49 -0.26 0.44 0.52 -0.91 -2.36 118.95 122.07 2aff s ARG 96 Ca 0.03 1.06 -0.15 0.00 -0.52 0.00 0.00 55.73 56.14 2aff s ARG 96 Cb -0.13 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 2aff s ARG 96 CO -0.11 0.31 0.39 -0.47 0.02 0.00 0.00 175.30 175.45 2aff s TYR 97 N -0.16 3.26 -0.14 -0.53 5.04 -0.86 -2.30 117.35 121.66 2aff s TYR 97 Ca 0.38 0.45 0.02 0.00 -2.44 0.00 0.00 57.07 55.48 2aff s TYR 97 Cb -0.21 -2.59 0.01 0.00 0.35 0.00 0.00 41.96 39.53 2aff s TYR 97 CO 0.23 -0.22 -0.19 -2.00 -1.34 0.00 0.00 175.55 172.03 2aff s GLU 98 N 2.05 2.67 -0.30 4.97 2.12 -0.69 -2.34 118.70 127.18 2aff s GLU 98 Ca 0.16 -0.72 -0.08 0.00 0.36 0.00 0.00 54.97 54.69 2aff s GLU 98 Cb -0.16 -2.24 -0.00 0.00 0.26 0.00 0.00 34.13 31.99 2aff s GLU 98 CO 0.10 -0.09 0.12 1.21 -0.54 0.00 0.00 175.26 176.06 2aff s ASN 99 N 1.02 5.36 0.00 -1.70 3.84 -1.26 -1.44 114.94 120.76 2aff s ASN 99 Ca -0.04 -0.56 0.04 0.00 0.21 0.00 0.00 52.86 52.51 2aff s ASN 99 Cb -0.15 -1.95 0.23 0.00 -0.55 0.00 0.00 41.25 38.83 2aff s ASN 99 CO -0.04 -0.18 0.71 1.21 -2.79 0.00 0.00 177.10 176.00