#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 0.31 -3.22 3.45 -2.24 -1.26 -4.97 114.28 106.35 2aff n THR 4 Ca 0.00 -0.09 -0.39 0.00 -2.27 0.00 0.00 64.05 61.30 2aff n THR 4 Cb 0.00 -1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 66.93 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 -2.10 4.28 0.03 -0.78 0.52 -1.26 -2.22 118.95 117.41 2aff s ARG 5 Ca -0.08 0.52 0.02 0.00 -0.52 0.00 0.00 55.73 55.67 2aff s ARG 5 Cb 0.03 -3.51 -0.02 0.00 0.52 0.00 0.00 34.95 31.97 2aff s ARG 5 CO 0.11 -0.03 -0.07 1.03 0.02 0.00 0.00 175.30 176.36 2aff s ARG 6 N 1.22 0.49 -0.00 3.54 0.52 -0.66 -2.12 118.95 121.95 2aff s ARG 6 Ca 0.27 -0.56 0.05 0.00 -0.52 0.00 0.00 55.73 54.98 2aff s ARG 6 Cb -0.16 -0.34 -0.03 0.00 0.52 0.00 0.00 34.95 34.95 2aff s ARG 6 CO 0.11 0.07 -0.14 -0.51 0.02 0.00 0.00 175.30 174.85 2aff s LEU 7 N -1.06 2.76 -0.11 2.53 1.43 -0.92 -1.56 118.68 121.75 2aff s LEU 7 Ca -0.06 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2aff s LEU 7 Cb -0.07 -1.59 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 2aff s LEU 7 CO 0.00 0.30 -0.21 -0.69 0.23 0.00 0.00 176.35 175.98 2aff s VAL 8 N -0.86 2.34 0.14 -1.59 1.01 -0.88 -0.04 120.40 120.53 2aff s VAL 8 Ca 0.14 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 2aff s VAL 8 Cb -0.11 -1.92 -0.06 0.00 0.00 0.00 0.00 36.38 34.29 2aff s VAL 8 CO 0.04 0.55 0.98 -0.89 0.00 0.00 0.00 175.10 175.78 2aff s THR 9 N 0.31 4.34 -0.07 3.92 2.01 -0.92 -1.86 115.64 123.37 2aff s THR 9 Ca -0.16 2.00 0.02 0.00 0.31 0.00 0.00 61.69 63.85 2aff s THR 9 Cb -0.17 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 2aff s THR 9 CO 0.08 0.33 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.60 2aff s ILE 10 N -0.18 3.34 0.35 1.82 1.01 -0.63 -2.14 121.20 124.76 2aff s ILE 10 Ca 0.47 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 2aff s ILE 10 Cb -0.25 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2aff s ILE 10 CO 0.31 0.58 0.60 -0.54 0.00 0.00 0.00 174.94 175.89 2aff s LYS 11 N -0.56 3.58 0.60 2.79 1.02 0.64 -4.04 119.74 123.78 2aff s LYS 11 Ca 0.08 -0.04 0.31 0.00 0.02 0.00 0.00 55.97 56.35 2aff s LYS 11 Cb -0.12 -2.59 1.83 0.00 -0.52 0.00 0.00 37.83 36.43 2aff s LYS 11 CO 0.02 0.11 2.19 0.00 -0.92 0.00 0.00 175.35 176.74 2aff h ARG 12 N 1.13 0.00 -0.00 1.68 3.08 -1.89 0.71 114.38 119.09 2aff h ARG 12 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2aff h ARG 12 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2aff h ARG 12 CO 0.64 0.00 -0.19 -1.13 -1.07 0.00 0.00 179.97 178.22 2aff n SER 13 N -3.67 0.34 -0.23 7.04 3.41 -1.26 -4.91 113.62 114.33 2aff n SER 13 Ca -0.01 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2aff n SER 13 Cb 0.20 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aff n GLY 14 N 1.41 1.00 3.21 5.00 0.00 0.25 -5.09 105.19 110.97 2aff n GLY 14 Ca 0.09 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.46 1.83 -0.13 1.61 1.01 -1.23 -4.83 120.40 116.18 2aff s VAL 15 Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 2aff s VAL 15 Cb 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2aff s VAL 15 CO 0.00 0.51 1.15 -0.62 0.00 0.00 0.00 175.10 176.15 2aff s ASP 16 N -0.02 7.06 0.00 3.32 -1.08 -1.26 -0.26 116.67 124.43 2aff s ASP 16 Ca -0.06 1.64 0.00 0.00 -0.52 0.00 0.00 52.55 53.61 2aff s ASP 16 Cb -0.14 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2aff s ASP 16 CO 0.04 -0.64 0.00 0.61 0.52 0.00 0.00 175.17 175.70 2aff n GLY 17 N 3.39 1.49 3.79 2.66 0.00 -0.91 -4.99 105.19 110.63 2aff n GLY 17 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 3.29 3.92 0.14 1.61 0.04 -1.26 -4.76 135.00 137.98 2aff s PRO 18 Ca 0.00 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.46 2aff s PRO 18 Cb 0.00 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2aff s PRO 18 CO 0.00 -0.33 0.17 -3.38 0.04 0.00 0.00 177.00 173.50 2aff s HIS 19 N -1.91 3.26 -0.47 0.56 -3.43 -1.26 -2.15 115.29 109.88 2aff s HIS 19 Ca 0.65 0.05 0.03 0.00 -0.80 0.00 0.00 55.06 54.98 2aff s HIS 19 Cb -0.17 -1.58 0.13 0.00 -1.43 0.00 0.00 32.58 29.52 2aff s HIS 19 CO 0.21 0.52 0.23 0.12 -2.00 0.00 0.00 174.74 173.82 2aff s PHE 20 N -1.67 2.70 0.30 0.38 5.36 0.95 -4.95 117.98 121.04 2aff s PHE 20 Ca 0.32 -2.82 -0.29 0.00 -0.96 0.00 0.00 56.93 53.18 2aff s PHE 20 Cb -0.11 -2.42 -0.10 0.00 -0.34 0.00 0.00 43.02 40.05 2aff s PHE 20 CO 0.25 -0.78 1.20 -1.25 -1.46 0.00 0.00 175.22 173.17 2aff s PRO 21 N 0.12 4.51 -0.25 10.12 0.04 -1.26 -2.17 135.00 146.11 2aff s PRO 21 Ca 0.16 1.99 -0.10 0.00 0.04 0.00 0.00 61.00 63.09 2aff s PRO 21 Cb -0.25 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 2aff s PRO 21 CO -0.01 0.02 0.15 -0.51 0.04 0.00 0.00 177.00 176.69 2aff s LEU 22 N -1.53 3.95 0.00 -3.56 1.43 -0.90 -4.88 118.68 113.19 2aff s LEU 22 Ca 0.47 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 2aff s LEU 22 Cb -0.35 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 2aff s LEU 22 CO 0.46 0.01 0.26 -1.54 0.23 0.00 0.00 176.35 175.77 2aff n SER 23 N 4.65 0.47 -4.84 2.29 3.41 -1.26 -4.51 113.62 113.84 2aff n SER 23 Ca -0.15 -0.74 -0.32 0.00 -0.26 0.00 0.00 58.87 57.41 2aff n SER 23 Cb 0.52 0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 65.09 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 -1.50 4.07 0.24 1.04 1.43 -1.26 -5.00 118.68 117.70 2aff s LEU 24 Ca 0.02 0.16 0.24 0.00 -1.03 0.00 0.00 54.13 53.52 2aff s LEU 24 Cb 0.02 -2.59 0.93 0.00 0.03 0.00 0.00 46.19 44.58 2aff s LEU 24 CO 0.08 0.21 1.72 -1.20 0.23 0.00 0.00 176.35 177.39 2aff n SER 25 N 0.66 0.68 -4.04 2.29 7.64 -1.26 -4.67 113.62 114.91 2aff n SER 25 Ca -0.09 0.64 -0.25 0.00 1.01 0.00 0.00 58.87 60.17 2aff n SER 25 Cb 0.52 -0.79 -0.17 0.00 -1.01 0.00 0.00 64.21 62.76 2aff n SER 25 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2aff s THR 26 N -3.25 1.22 -0.16 0.44 2.01 -1.26 -0.62 115.64 114.02 2aff s THR 26 Ca 0.06 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2aff s THR 26 Cb 0.10 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.52 2aff s THR 26 CO 0.44 0.38 -0.14 0.00 -0.69 0.00 0.00 174.62 174.60 2aff s LEU 28 N 1.45 2.48 -0.08 0.00 2.96 -1.26 -0.44 118.68 123.79 2aff s LEU 28 Ca 0.04 -0.41 -0.00 0.00 -0.22 0.00 0.00 54.13 53.54 2aff s LEU 28 Cb -0.13 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2aff s LEU 28 CO -0.11 0.17 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.68 2aff s PHE 29 N 0.32 3.00 -5.00 5.38 0.40 0.21 0.93 117.98 123.23 2aff s PHE 29 Ca -0.13 0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 2aff s PHE 29 Cb -0.17 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.61 2aff s PHE 29 CO 0.07 0.33 0.00 0.41 0.70 0.00 0.00 175.22 176.73 2aff n GLY 30 N 2.33 -0.08 0.09 4.36 0.00 -0.93 -2.36 105.19 108.61 2aff n GLY 30 Ca -0.18 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 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 4.55 0.16 -6.29 1.61 3.08 -1.05 -3.19 114.38 113.26 2aff h ARG 31 Ca 0.00 -0.25 -0.60 0.00 0.07 0.00 0.00 59.98 59.20 2aff h ARG 31 Cb 0.00 0.09 0.16 0.00 0.08 0.00 0.00 29.97 30.30 2aff h ARG 31 CO 0.00 1.08 -0.58 0.41 -1.07 0.00 0.00 179.97 179.81 2aff n GLY 32 N 1.32 -1.91 0.23 0.04 0.00 -0.79 -4.85 105.19 99.23 2aff n GLY 32 Ca -0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2aff n GLY 32 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2aff h ILE 33 N 0.47 1.23 -0.04 -0.61 1.08 -1.90 -1.70 117.51 116.04 2aff h ILE 33 Ca -0.41 -0.75 0.01 0.00 -0.39 0.00 0.00 64.86 63.32 2aff h ILE 33 Cb 1.41 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 35.94 2aff h ILE 33 CO 0.48 0.27 0.16 -0.33 -0.69 0.00 0.00 178.15 178.05 2aff h GLU 34 N 0.67 0.00 -6.11 2.37 5.08 -1.95 -3.42 114.58 111.21 2aff h GLU 34 Ca 0.16 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.87 2aff h GLU 34 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2aff h GLU 34 CO -0.01 0.00 1.23 0.00 -1.00 0.00 0.00 179.01 179.24 2aff h ASP 36 N 10.73 0.00 -3.27 0.00 3.32 0.31 -3.35 116.42 124.16 2aff h ASP 36 Ca -0.39 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.18 2aff h ASP 36 Cb 1.29 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.48 2aff h ASP 36 CO 0.98 0.00 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.08 2aff s ILE 37 N -4.27 0.74 -0.13 0.35 1.01 -0.34 -4.94 121.20 113.62 2aff s ILE 37 Ca -0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 2aff s ILE 37 Cb 0.12 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 2aff s ILE 37 CO 0.41 0.31 0.04 -0.13 0.00 0.00 0.00 174.94 175.57 2aff s ARG 38 N 1.60 3.45 -0.14 2.79 0.52 -1.26 -2.19 118.95 123.72 2aff s ARG 38 Ca 0.01 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 2aff s ARG 38 Cb -0.13 -3.01 -0.01 0.00 0.52 0.00 0.00 34.95 32.32 2aff s ARG 38 CO -0.05 0.54 -0.14 0.42 0.02 0.00 0.00 175.30 176.09 2aff s ILE 39 N -0.41 2.85 0.00 1.52 1.01 -1.20 -4.98 121.20 119.98 2aff s ILE 39 Ca 0.09 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 2aff s ILE 39 Cb -0.12 -2.20 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 2aff s ILE 39 CO 0.02 0.52 1.00 0.00 0.00 0.00 0.00 174.94 176.48 2aff n GLN 40 N 3.79 0.50 -4.94 2.79 6.02 -1.26 -4.73 117.38 119.56 2aff n GLN 40 Ca -0.19 -0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.52 2aff n GLN 40 Cb 0.52 -1.26 -0.17 0.00 1.02 0.00 0.00 30.24 30.36 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 1.91 0.00 1.08 1.43 -1.26 -5.01 118.68 116.83 2aff s LEU 41 Ca 0.00 -0.42 0.21 0.00 -1.03 0.00 0.00 54.13 52.89 2aff s LEU 41 Cb 0.00 -1.11 1.01 0.00 0.03 0.00 0.00 46.19 46.11 2aff s LEU 41 CO 0.00 0.14 1.67 -0.81 0.23 0.00 0.00 176.35 177.58 2aff n PRO 42 N 3.41 0.20 -0.08 1.29 -0.04 -1.26 -2.49 135.00 136.02 2aff n PRO 42 Ca -0.20 0.11 0.12 0.00 -0.04 0.00 0.00 63.50 63.49 2aff n PRO 42 Cb 0.52 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.36 0.22 -3.17 0.52 0.24 -1.26 -4.92 118.33 108.60 2aff n VAL 43 Ca 0.08 -0.61 -0.39 0.00 -2.04 0.00 0.00 64.34 61.39 2aff n VAL 43 Cb 0.19 1.26 -0.06 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.78 4.79 0.76 3.34 1.01 -1.04 -4.97 120.40 122.52 2aff s VAL 44 Ca 0.33 1.33 -0.13 0.00 0.00 0.00 0.00 61.98 63.52 2aff s VAL 44 Cb 0.21 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.68 2aff s VAL 44 CO 0.31 0.45 1.14 -0.44 0.00 0.00 0.00 175.10 176.56 2aff s SER 45 N -0.47 4.24 0.16 3.32 0.01 -1.26 -4.49 113.70 115.21 2aff s SER 45 Ca 0.32 2.08 -0.13 0.00 1.31 0.00 0.00 55.95 59.53 2aff s SER 45 Cb -0.19 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.53 2aff s SER 45 CO 0.19 -2.22 1.73 0.11 0.41 0.00 0.00 173.24 173.46 2aff h LYS 46 N -0.78 0.78 0.00 12.44 1.57 -1.92 -1.45 116.57 127.21 2aff h LYS 46 Ca -0.45 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 2aff h LYS 46 Cb 1.26 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2aff h LYS 46 CO 0.49 0.66 -0.80 1.04 -0.57 0.00 0.00 179.45 180.27 2aff n GLN 47 N -4.56 2.55 0.00 3.15 6.02 -1.26 -1.88 117.38 121.40 2aff n GLN 47 Ca 0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2aff n GLN 47 Cb 0.14 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.42 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 -1.44 0.00 -4.66 1.08 -0.00 -1.08 -3.98 115.22 105.14 2aff n HIS 48 Ca -0.00 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.94 2aff n HIS 48 Cb 0.14 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.84 2aff n HIS 48 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2aff s LYS 50 N 0.25 1.81 -0.09 0.00 2.20 -0.01 0.66 119.74 124.55 2aff s LYS 50 Ca -0.07 -0.48 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 2aff s LYS 50 Cb -0.12 -1.49 -0.02 0.00 -1.51 0.00 0.00 37.83 34.69 2aff s LYS 50 CO 0.02 0.08 -0.16 0.42 -0.36 0.00 0.00 175.35 175.35 2aff s ILE 51 N 0.52 2.84 -0.19 5.43 1.01 0.41 0.14 121.20 131.37 2aff s ILE 51 Ca -0.13 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 2aff s ILE 51 Cb -0.15 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 2aff s ILE 51 CO 0.04 0.55 -0.09 -1.61 0.00 0.00 0.00 174.94 173.83 2aff s GLU 52 N -0.04 3.32 -0.32 2.79 2.02 0.43 -2.09 118.70 124.81 2aff s GLU 52 Ca -0.04 -0.67 -0.09 0.00 0.02 0.00 0.00 54.97 54.18 2aff s GLU 52 Cb -0.14 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.27 2aff s GLU 52 CO 0.04 -0.07 0.15 0.42 0.02 0.00 0.00 175.26 175.81 2aff s ILE 53 N 1.11 4.39 0.02 -1.63 1.01 0.21 -0.84 121.20 125.47 2aff s ILE 53 Ca 0.01 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.08 2aff s ILE 53 Cb -0.15 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 2aff s ILE 53 CO -0.02 -0.02 -0.15 -1.00 0.00 0.00 0.00 174.94 173.75 2aff s HIS 54 N 1.56 2.66 0.56 3.97 3.76 0.05 -4.86 115.29 122.99 2aff s HIS 54 Ca 0.03 -0.19 0.47 0.00 -0.15 0.00 0.00 55.06 55.22 2aff s HIS 54 Cb -0.18 -1.52 1.64 0.00 1.11 0.00 0.00 32.58 33.64 2aff s HIS 54 CO 0.05 0.28 1.57 0.93 -0.85 0.00 0.00 174.74 176.72 2aff h GLU 55 N 4.60 0.00 0.08 1.40 4.39 -2.02 0.17 114.58 123.21 2aff h GLU 55 Ca -0.48 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.22 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 -0.04 1.96 -1.16 0.00 0.00 179.01 180.27 2aff h GLN 56 N 0.00 -0.11 0.00 2.33 4.20 -2.01 -3.49 115.11 116.03 2aff h GLN 56 Ca 0.85 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.57 2aff h GLN 56 Cb 3.53 0.02 0.00 0.00 0.30 0.00 0.00 27.48 31.33 2aff h GLN 56 CO -0.01 -0.07 0.00 -0.85 -0.67 0.00 0.00 178.83 177.23 2aff n GLU 57 N -2.37 0.00 -4.56 1.46 -0.00 0.59 -5.16 120.64 110.61 2aff n GLU 57 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.16 56.81 2aff n GLU 57 Cb 0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 31.44 31.34 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2aff s ALA 58 N -1.15 2.69 -0.14 -1.84 0.00 -1.26 -0.77 121.76 119.29 2aff s ALA 58 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2aff s ALA 58 Cb 0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 2aff s ALA 58 CO 0.00 0.11 -0.15 0.42 0.00 0.00 0.00 175.76 176.14 2aff s ILE 59 N 0.58 2.81 -0.20 0.00 1.01 -0.02 0.12 121.20 125.49 2aff s ILE 59 Ca -0.07 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 2aff s ILE 59 Cb -0.15 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 2aff s ILE 59 CO 0.03 0.52 0.26 -0.22 0.00 0.00 0.00 174.94 175.53 2aff s LEU 60 N 0.57 4.17 -0.10 2.97 2.96 -0.07 -0.43 118.68 128.75 2aff s LEU 60 Ca -0.09 0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 54.16 2aff s LEU 60 Cb -0.16 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 2aff s LEU 60 CO 0.04 0.05 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.03 2aff s HIS 61 N 0.90 2.91 -0.46 5.38 3.76 0.38 -1.83 115.29 126.34 2aff s HIS 61 Ca 0.13 -0.21 -0.16 0.00 -0.15 0.00 0.00 55.06 54.67 2aff s HIS 61 Cb -0.13 -1.79 0.05 0.00 1.11 0.00 0.00 32.58 31.82 2aff s HIS 61 CO 0.04 0.11 0.41 1.21 -0.85 0.00 0.00 174.74 175.67 2aff s ASN 62 N -0.26 6.16 0.00 1.40 3.84 -1.26 -0.83 114.94 123.98 2aff s ASN 62 Ca 0.03 -1.10 0.24 0.00 0.21 0.00 0.00 52.86 52.24 2aff s ASN 62 Cb -0.13 -2.20 0.29 0.00 -0.55 0.00 0.00 41.25 38.67 2aff s ASN 62 CO 0.03 -0.63 1.27 0.49 -2.79 0.00 0.00 177.10 175.47 2aff n PHE 63 N 5.37 0.00 -2.13 0.43 3.01 0.26 -4.82 117.46 119.58 2aff n PHE 63 Ca -0.11 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.97 2aff n PHE 63 Cb 0.45 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 39.81 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 -2.66 5.43 0.18 4.37 0.15 -0.38 -4.58 113.70 116.20 2aff s SER 64 Ca 0.17 0.18 0.24 0.00 0.70 0.00 0.00 55.95 57.24 2aff s SER 64 Cb 0.18 -2.54 0.31 0.00 -1.71 0.00 0.00 66.02 62.26 2aff s SER 64 CO 0.63 -2.29 1.33 0.77 1.20 0.00 0.00 173.24 174.88 2aff h SER 65 N 14.02 0.00 0.09 5.45 4.64 -1.91 -3.26 113.55 132.58 2aff h SER 65 Ca -0.26 -0.13 -0.33 0.00 -0.47 0.00 0.00 61.79 60.60 2aff h SER 65 Cb 1.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 2aff h SER 65 CO 1.23 0.06 -1.84 0.41 -0.87 0.00 0.00 176.83 175.83 2aff n THR 66 N -2.35 1.71 -3.54 2.95 -1.04 -1.26 -4.82 114.28 105.93 2aff n THR 66 Ca 0.03 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.05 61.26 2aff n THR 66 Cb 0.47 -1.81 -0.14 0.00 -1.82 0.00 0.00 70.33 67.03 2aff n THR 66 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2aff s ASN 67 N -6.99 3.47 0.51 8.00 0.01 -1.26 -5.14 114.94 113.55 2aff s ASN 67 Ca -0.25 -1.50 -0.22 0.00 -0.71 0.00 0.00 52.86 50.18 2aff s ASN 67 Cb 0.07 -0.41 -0.07 0.00 0.41 0.00 0.00 41.25 41.25 2aff s ASN 67 CO 0.71 -0.41 1.17 -2.65 -1.51 0.00 0.00 177.10 174.41 2aff n PRO 68 N 4.97 1.46 -2.64 -0.60 -0.02 -1.23 -4.69 135.00 132.25 2aff n PRO 68 Ca -0.02 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.66 2aff n PRO 68 Cb 0.41 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.33 3.99 -0.07 3.45 2.01 -1.26 -4.85 115.64 117.59 2aff s THR 69 Ca 0.69 1.25 0.01 0.00 0.31 0.00 0.00 61.69 63.95 2aff s THR 69 Cb -0.46 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 2aff s THR 69 CO 0.52 -0.26 -0.08 -1.10 -0.69 0.00 0.00 174.62 173.01 2aff s GLN 70 N -3.20 2.72 -0.03 4.92 -0.21 -0.51 -0.86 119.66 122.49 2aff s GLN 70 Ca 0.65 -0.56 0.03 0.00 0.02 0.00 0.00 55.36 55.50 2aff s GLN 70 Cb -0.14 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.30 2aff s GLN 70 CO 0.18 0.66 -0.10 0.08 -2.12 0.00 0.00 175.29 173.98 2aff s VAL 71 N -0.81 0.90 -1.22 1.09 1.01 0.53 0.16 120.40 122.05 2aff s VAL 71 Ca 0.12 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 2aff s VAL 71 Cb -0.11 -0.80 0.04 0.00 0.00 0.00 0.00 36.38 35.51 2aff s VAL 71 CO 0.01 0.28 0.32 0.59 0.00 0.00 0.00 175.10 176.30 2aff n ASN 72 N 3.31 -4.08 -0.70 3.32 3.02 -0.79 0.67 115.26 120.02 2aff n ASN 72 Ca -0.19 -0.15 -0.07 0.00 -0.03 0.00 0.00 54.58 54.14 2aff n ASN 72 Cb 0.54 -3.40 -0.01 0.00 -0.61 0.00 0.00 39.78 36.30 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 -1.07 0.42 2.95 7.41 0.00 -1.26 -5.03 105.19 108.60 2aff n GLY 73 Ca -0.08 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.78 -0.08 0.42 1.61 0.01 0.21 -5.10 113.70 107.99 2aff s SER 74 Ca 0.00 0.16 -0.25 0.00 1.31 0.00 0.00 55.95 57.17 2aff s SER 74 Cb 0.00 0.16 -0.08 0.00 0.21 0.00 0.00 66.02 66.31 2aff s SER 74 CO 0.00 -0.03 1.23 0.54 0.41 0.00 0.00 173.24 175.39 2aff s VAL 75 N 0.05 2.89 -0.49 3.43 0.11 -1.26 0.20 120.40 125.33 2aff s VAL 75 Ca -0.00 0.75 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 2aff s VAL 75 Cb -0.01 -3.42 0.13 0.00 -1.53 0.00 0.00 36.38 31.55 2aff s VAL 75 CO 0.00 0.07 0.26 0.27 -3.33 0.00 0.00 175.10 172.38 2aff s ILE 76 N -1.36 3.04 0.33 7.04 -4.36 -0.04 -4.84 121.20 121.01 2aff s ILE 76 Ca 0.58 -2.73 0.23 0.00 -0.26 0.00 0.00 60.65 58.47 2aff s ILE 76 Cb -0.34 -3.08 0.23 0.00 1.25 0.00 0.00 42.46 40.52 2aff s ILE 76 CO 0.42 -0.76 1.95 0.44 0.24 0.00 0.00 174.94 177.23 2aff h ASP 77 N 7.23 0.00 -3.03 4.36 3.32 -1.95 -3.42 116.42 122.93 2aff h ASP 77 Ca -0.06 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.40 2aff h ASP 77 Cb 0.97 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.39 2aff h ASP 77 CO 0.67 0.21 -0.49 -1.61 -1.72 0.00 0.00 179.24 176.29 2aff s GLU 78 N -4.05 2.01 0.54 3.56 8.01 -1.26 -4.91 118.70 122.60 2aff s GLU 78 Ca -0.02 -2.24 -0.21 0.00 0.01 0.00 0.00 54.97 52.50 2aff s GLU 78 Cb 0.13 -0.59 -0.05 0.00 -4.31 0.00 0.00 34.13 29.30 2aff s GLU 78 CO 0.63 -0.54 1.32 -2.14 0.01 0.00 0.00 175.26 174.55 2aff s PRO 79 N -3.66 3.17 -0.04 0.39 0.02 -1.26 -4.67 135.00 128.96 2aff s PRO 79 Ca 0.21 2.14 -0.03 0.00 0.02 0.00 0.00 61.00 63.34 2aff s PRO 79 Cb 0.01 -2.23 0.01 0.00 0.02 0.00 0.00 34.50 32.32 2aff s PRO 79 CO 0.14 -1.14 0.09 0.14 -0.33 0.00 0.00 177.00 175.91 2aff s VAL 80 N -1.36 -0.01 0.06 3.83 -7.23 -0.76 -4.99 120.40 109.94 2aff s VAL 80 Ca 0.72 0.04 -0.31 0.00 -1.81 0.00 0.00 61.98 60.62 2aff s VAL 80 Cb -0.38 -0.14 -0.06 0.00 0.56 0.00 0.00 36.38 36.36 2aff s VAL 80 CO 0.45 0.02 1.24 -0.13 -0.31 0.00 0.00 175.10 176.36 2aff s ARG 81 N 0.27 4.40 0.13 4.82 0.52 -1.26 -0.89 118.95 126.94 2aff s ARG 81 Ca -0.02 1.82 -0.26 0.00 -0.52 0.00 0.00 55.73 56.74 2aff s ARG 81 Cb -0.03 -3.36 -0.07 0.00 0.52 0.00 0.00 34.95 32.01 2aff s ARG 81 CO -0.01 -0.32 0.82 -0.51 0.02 0.00 0.00 175.30 175.31 2aff s LEU 82 N 1.23 4.55 0.12 2.53 1.43 0.32 -4.91 118.68 123.95 2aff s LEU 82 Ca 0.60 1.65 0.05 0.00 -1.03 0.00 0.00 54.13 55.39 2aff s LEU 82 Cb -0.30 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 2aff s LEU 82 CO 0.29 0.11 -0.11 -0.54 0.23 0.00 0.00 176.35 176.32 2aff s LYS 83 N -0.66 0.97 -0.02 1.70 1.02 -1.26 -4.35 119.74 117.14 2aff s LYS 83 Ca 0.39 -1.28 -0.31 0.00 0.02 0.00 0.00 55.97 54.79 2aff s LYS 83 Cb -0.23 -0.67 -0.09 0.00 -0.52 0.00 0.00 37.83 36.32 2aff s LYS 83 CO 0.27 0.11 2.00 1.58 -0.92 0.00 0.00 175.35 178.38 2aff n HIS 84 N 0.30 2.41 0.00 3.18 -0.00 -1.26 -0.23 115.22 119.61 2aff n HIS 84 Ca -0.14 -0.29 0.00 0.00 -0.00 0.00 0.00 57.72 57.29 2aff n HIS 84 Cb 0.58 -2.77 0.00 0.00 -0.00 0.00 0.00 29.99 27.80 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 4.71 0.63 3.70 1.57 0.00 -1.01 -4.99 105.19 109.80 2aff n GLY 85 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.96 7.16 -0.10 1.61 -1.08 0.68 -4.87 116.67 118.11 2aff s ASP 86 Ca 0.00 1.75 -0.02 0.00 -0.52 0.00 0.00 52.55 53.76 2aff s ASP 86 Cb 0.00 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.86 2aff s ASP 86 CO 0.00 -0.47 -0.00 0.54 0.52 0.00 0.00 175.17 175.76 2aff s VAL 87 N 1.74 4.26 -0.19 1.11 0.11 -1.26 -1.68 120.40 124.48 2aff s VAL 87 Ca 0.54 -0.26 -0.08 0.00 -2.93 0.00 0.00 61.98 59.25 2aff s VAL 87 Cb -0.23 -2.81 -0.04 0.00 -1.53 0.00 0.00 36.38 31.77 2aff s VAL 87 CO 0.23 0.57 0.07 -0.63 -3.33 0.00 0.00 175.10 172.02 2aff s ILE 88 N -0.57 4.74 -0.11 7.04 1.01 -0.37 -1.88 121.20 131.06 2aff s ILE 88 Ca 0.09 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.72 2aff s ILE 88 Cb -0.12 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.21 2aff s ILE 88 CO 0.02 0.44 -0.18 -0.89 0.00 0.00 0.00 174.94 174.32 2aff s THR 89 N 0.59 1.72 -0.14 2.92 2.01 0.42 0.29 115.64 123.46 2aff s THR 89 Ca 0.03 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.26 2aff s THR 89 Cb -0.13 -1.54 -0.00 0.00 0.01 0.00 0.00 72.50 70.84 2aff s THR 89 CO 0.01 0.48 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.62 2aff s ILE 90 N 0.79 2.47 0.00 1.82 1.01 0.68 -1.42 121.20 126.55 2aff s ILE 90 Ca -0.10 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.70 2aff s ILE 90 Cb -0.16 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.30 2aff s ILE 90 CO 0.01 0.53 0.00 -0.38 0.00 0.00 0.00 174.94 175.10 2aff n ILE 91 N 3.88 0.00 -0.33 2.92 5.41 -1.26 0.30 119.36 130.28 2aff n ILE 91 Ca -0.19 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.61 2aff n ILE 91 Cb 0.52 0.00 0.15 0.00 -0.71 0.00 0.00 39.64 39.60 2aff n ILE 91 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2aff n ASP 92 N 1.76 2.98 -4.20 4.38 8.00 -1.26 -4.99 116.55 123.22 2aff n ASP 92 Ca 0.00 -2.22 -0.25 0.00 0.71 0.00 0.00 54.79 53.04 2aff n ASP 92 Cb 0.00 -0.27 -0.15 0.00 -0.02 0.00 0.00 41.12 40.69 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2aff s ARG 93 N -1.39 1.36 0.03 -1.24 0.52 0.88 -3.94 118.95 115.17 2aff s ARG 93 Ca 0.24 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 2aff s ARG 93 Cb 0.15 -1.38 -0.02 0.00 0.52 0.00 0.00 34.95 34.22 2aff s ARG 93 CO 0.12 0.36 -0.05 0.45 0.02 0.00 0.00 175.30 176.21 2aff s SER 94 N -0.79 0.45 -0.16 0.23 0.15 -1.26 0.25 113.70 112.57 2aff s SER 94 Ca 0.06 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2aff s SER 94 Cb -0.08 0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 2aff s SER 94 CO 0.00 -0.25 -0.19 -0.36 1.20 0.00 0.00 173.24 173.64 2aff s PHE 95 N -1.37 2.62 -0.02 3.44 0.08 0.15 -1.61 117.98 121.26 2aff s PHE 95 Ca -0.13 -1.49 -0.25 0.00 0.12 0.00 0.00 56.93 55.18 2aff s PHE 95 Cb -0.10 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 2aff s PHE 95 CO -0.00 -0.73 0.79 0.50 -0.10 0.00 0.00 175.22 175.67 2aff s ARG 96 N 1.22 4.48 -0.22 0.44 3.52 -0.78 -1.23 118.95 126.38 2aff s ARG 96 Ca 0.02 1.06 -0.20 0.00 -0.13 0.00 0.00 55.73 56.49 2aff s ARG 96 Cb -0.14 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 2aff s ARG 96 CO -0.10 0.08 0.58 -0.47 -0.81 0.00 0.00 175.30 174.59 2aff s TYR 97 N 0.66 3.34 -0.15 5.12 5.04 -0.68 -2.07 117.35 128.62 2aff s TYR 97 Ca 0.41 0.82 0.01 0.00 -2.44 0.00 0.00 57.07 55.87 2aff s TYR 97 Cb -0.19 -2.76 0.02 0.00 0.35 0.00 0.00 41.96 39.38 2aff s TYR 97 CO 0.22 -0.20 -0.15 -1.21 -1.34 0.00 0.00 175.55 172.87 2aff s GLU 98 N 2.00 2.34 -0.30 4.97 2.02 -0.60 -2.41 118.70 126.72 2aff s GLU 98 Ca 0.26 -0.58 -0.05 0.00 0.02 0.00 0.00 54.97 54.62 2aff s GLU 98 Cb -0.16 -2.12 0.03 0.00 0.10 0.00 0.00 34.13 31.99 2aff s GLU 98 CO 0.10 -0.21 0.06 1.21 0.02 0.00 0.00 175.26 176.43 2aff s ASN 99 N 1.41 5.04 0.00 -0.19 3.84 -1.26 -1.65 114.94 122.14 2aff s ASN 99 Ca 0.04 -0.97 0.20 0.00 0.21 0.00 0.00 52.86 52.34 2aff s ASN 99 Cb -0.13 -1.82 0.16 0.00 -0.55 0.00 0.00 41.25 38.91 2aff s ASN 99 CO -0.10 -0.24 1.13 1.21 -2.79 0.00 0.00 177.10 176.31