#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 1.69 -3.55 3.45 -2.24 -1.26 -4.84 114.28 107.53 2aff n THR 4 Ca 0.00 -0.70 -0.37 0.00 -2.27 0.00 0.00 64.05 60.72 2aff n THR 4 Cb 0.00 -1.46 -0.08 0.00 -2.10 0.00 0.00 70.33 66.69 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 -2.56 4.17 -0.03 -0.78 0.52 -1.26 -0.62 118.95 118.39 2aff s ARG 5 Ca -0.18 -0.02 0.03 0.00 -0.52 0.00 0.00 55.73 55.04 2aff s ARG 5 Cb 0.07 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 32.05 2aff s ARG 5 CO 0.77 0.11 -0.12 1.03 0.02 0.00 0.00 175.30 177.11 2aff s ARG 6 N 0.87 1.31 -0.12 3.54 0.52 -0.34 -2.14 118.95 122.58 2aff s ARG 6 Ca 0.14 -0.43 -0.02 0.00 -0.52 0.00 0.00 55.73 54.89 2aff s ARG 6 Cb -0.13 -1.18 -0.03 0.00 0.52 0.00 0.00 34.95 34.13 2aff s ARG 6 CO 0.04 0.16 -0.03 -1.17 0.02 0.00 0.00 175.30 174.32 2aff s LEU 7 N 0.14 3.31 -0.12 2.53 2.96 -0.68 -1.92 118.68 124.91 2aff s LEU 7 Ca -0.04 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 2aff s LEU 7 Cb -0.10 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 2aff s LEU 7 CO 0.01 0.25 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.46 2aff s VAL 8 N -0.14 2.90 0.29 1.68 1.01 -0.81 0.14 120.40 125.46 2aff s VAL 8 Ca 0.03 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 61.01 2aff s VAL 8 Cb -0.13 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 2aff s VAL 8 CO 0.02 0.53 0.95 -0.89 0.00 0.00 0.00 175.10 175.72 2aff s THR 9 N 0.27 4.09 -0.11 3.92 2.01 -0.94 -1.28 115.64 123.60 2aff s THR 9 Ca -0.11 1.90 -0.02 0.00 0.31 0.00 0.00 61.69 63.78 2aff s THR 9 Cb -0.16 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 2aff s THR 9 CO 0.06 0.30 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.62 2aff s ILE 10 N -1.40 3.88 0.36 1.82 1.01 -0.62 -1.57 121.20 124.68 2aff s ILE 10 Ca 0.46 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 2aff s ILE 10 Cb -0.23 -2.64 -0.07 0.00 0.01 0.00 0.00 42.46 39.54 2aff s ILE 10 CO 0.28 0.55 0.72 -0.54 0.00 0.00 0.00 174.94 175.96 2aff s LYS 11 N -0.30 3.80 0.61 2.79 1.02 0.18 -4.39 119.74 123.45 2aff s LYS 11 Ca 0.05 0.43 0.33 0.00 0.02 0.00 0.00 55.97 56.79 2aff s LYS 11 Cb -0.13 -2.45 1.87 0.00 -0.52 0.00 0.00 37.83 36.61 2aff s LYS 11 CO 0.02 0.05 2.19 0.00 -0.92 0.00 0.00 175.35 176.70 2aff h ARG 12 N 1.56 0.00 0.00 1.68 3.08 -1.87 0.57 114.38 119.40 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 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2aff h ARG 12 CO 0.65 0.00 -0.02 0.43 -1.07 0.00 0.00 179.97 179.96 2aff n SER 13 N -3.58 0.14 -0.00 7.04 7.64 -1.26 -4.90 113.62 118.70 2aff n SER 13 Ca -0.01 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2aff n SER 13 Cb 0.20 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aff n GLY 14 N 1.47 1.47 3.21 0.23 0.00 0.20 -5.09 105.19 106.68 2aff n GLY 14 Ca 0.07 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.01 1.93 0.29 1.61 1.01 -1.23 -4.84 120.40 117.16 2aff s VAL 15 Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 2aff s VAL 15 Cb 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 36.38 34.62 2aff s VAL 15 CO 0.00 0.53 1.12 -1.81 0.00 0.00 0.00 175.10 174.94 2aff s ASP 16 N 0.18 7.22 0.00 3.32 1.01 -1.26 0.50 116.67 127.63 2aff s ASP 16 Ca -0.12 2.31 0.00 0.00 0.71 0.00 0.00 52.55 55.45 2aff s ASP 16 Cb -0.16 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.14 2aff s ASP 16 CO 0.06 -0.18 0.00 0.61 0.21 0.00 0.00 175.17 175.87 2aff n GLY 17 N 1.15 2.15 3.78 0.21 0.00 -0.61 -4.89 105.19 106.98 2aff n GLY 17 Ca -0.01 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 3.15 3.58 -0.06 1.61 0.04 -1.26 -4.71 135.00 137.34 2aff s PRO 18 Ca 0.00 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.56 2aff s PRO 18 Cb 0.00 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2aff s PRO 18 CO 0.00 -0.64 -0.06 -3.38 0.04 0.00 0.00 177.00 172.96 2aff s HIS 19 N -1.84 2.97 -0.37 0.56 -3.43 -1.26 -2.22 115.29 109.70 2aff s HIS 19 Ca 0.70 0.04 -0.03 0.00 -0.80 0.00 0.00 55.06 54.97 2aff s HIS 19 Cb -0.21 -1.71 0.08 0.00 -1.43 0.00 0.00 32.58 29.31 2aff s HIS 19 CO 0.24 0.36 0.13 0.12 -2.00 0.00 0.00 174.74 173.59 2aff s PHE 20 N -0.84 3.43 0.11 0.38 5.36 0.12 -4.96 117.98 121.57 2aff s PHE 20 Ca 0.13 -2.07 -0.31 0.00 -0.96 0.00 0.00 56.93 53.72 2aff s PHE 20 Cb -0.11 -2.73 -0.07 0.00 -0.34 0.00 0.00 43.02 39.77 2aff s PHE 20 CO 0.02 -0.88 1.24 -1.25 -1.46 0.00 0.00 175.22 172.89 2aff s PRO 21 N 1.22 4.42 -0.26 10.12 0.04 -1.26 -1.68 135.00 147.61 2aff s PRO 21 Ca 0.02 1.87 -0.04 0.00 0.04 0.00 0.00 61.00 62.89 2aff s PRO 21 Cb -0.21 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 30.98 2aff s PRO 21 CO -0.02 -0.25 2.99 1.28 0.04 0.00 0.00 177.00 181.03 2aff n LEU 22 N 3.55 5.97 0.28 -3.56 4.77 -0.91 -4.43 117.00 122.68 2aff n LEU 22 Ca 0.08 -3.60 0.16 0.00 -0.03 0.00 0.00 56.01 52.62 2aff n LEU 22 Cb 0.45 -1.28 0.83 0.00 -2.33 0.00 0.00 43.42 41.09 2aff n LEU 22 CO 0.56 1.64 1.03 0.77 -1.33 0.00 0.00 177.39 180.06 2aff h SER 23 N 2.78 0.00 -3.78 -1.43 4.64 -1.91 -3.42 113.55 110.42 2aff h SER 23 Ca 0.29 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.13 2aff h SER 23 Cb 1.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 2aff h SER 23 CO 0.59 0.06 0.34 -0.76 -0.87 0.00 0.00 176.83 176.19 2aff s LEU 24 N -6.69 4.54 0.61 5.97 1.43 -1.26 -4.94 118.68 118.35 2aff s LEU 24 Ca -0.02 1.89 0.38 0.00 -1.03 0.00 0.00 54.13 55.35 2aff s LEU 24 Cb 0.12 -3.72 2.01 0.00 0.03 0.00 0.00 46.19 44.63 2aff s LEU 24 CO 0.53 0.09 2.25 0.28 0.23 0.00 0.00 176.35 179.73 2aff h SER 25 N 3.83 0.00 -3.68 2.29 0.02 -1.91 -3.42 113.55 110.68 2aff h SER 25 Ca -0.46 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.19 2aff h SER 25 Cb 1.20 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.43 2aff h SER 25 CO 0.67 0.02 -0.74 -0.89 -1.14 0.00 0.00 176.83 174.75 2aff s THR 26 N -4.15 0.17 -0.12 -2.27 2.01 -1.26 -0.78 115.64 109.24 2aff s THR 26 Ca -0.04 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2aff s THR 26 Cb 0.13 -0.20 0.02 0.00 0.01 0.00 0.00 72.50 72.46 2aff s THR 26 CO 0.48 0.09 -0.12 0.00 -0.69 0.00 0.00 174.62 174.38 2aff s LEU 28 N 1.38 2.31 -0.15 0.00 2.96 -1.26 -0.07 118.68 123.83 2aff s LEU 28 Ca 0.01 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.35 2aff s LEU 28 Cb -0.13 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2aff s LEU 28 CO -0.07 0.12 0.03 -0.36 -1.32 0.00 0.00 176.35 174.75 2aff s PHE 29 N 0.61 3.20 -4.30 5.38 0.40 0.14 0.63 117.98 124.04 2aff s PHE 29 Ca -0.11 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 2aff s PHE 29 Cb -0.16 -1.99 0.00 0.00 0.51 0.00 0.00 43.02 41.38 2aff s PHE 29 CO 0.03 0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.57 2aff n GLY 30 N 3.17 -2.16 0.08 4.36 0.00 -0.87 -2.47 105.19 107.30 2aff n GLY 30 Ca -0.17 -1.24 -0.06 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 0.01 -6.58 1.61 3.08 -1.18 -3.20 114.38 108.11 2aff h ARG 31 Ca 0.00 -0.01 -0.58 0.00 0.07 0.00 0.00 59.98 59.46 2aff h ARG 31 Cb 0.00 0.00 0.16 0.00 0.08 0.00 0.00 29.97 30.22 2aff h ARG 31 CO 0.00 0.89 -0.23 0.41 -1.07 0.00 0.00 179.97 179.97 2aff n GLY 32 N 1.03 -1.12 0.28 0.04 0.00 -0.97 -4.89 105.19 99.55 2aff n GLY 32 Ca -0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 0.42 1.27 -0.15 -0.61 6.09 -1.90 -2.05 117.51 120.58 2aff h ILE 33 Ca -0.46 -1.23 0.04 0.00 -1.37 0.00 0.00 64.86 61.84 2aff h ILE 33 Cb 1.39 0.98 -0.01 0.00 0.47 0.00 0.00 36.82 39.65 2aff h ILE 33 CO 0.49 0.43 0.17 -0.33 -3.07 0.00 0.00 178.15 175.85 2aff h GLU 34 N 0.87 0.00 -6.20 2.19 5.08 -1.95 -3.41 114.58 111.15 2aff h GLU 34 Ca 0.14 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.86 2aff h GLU 34 Cb 0.65 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.91 2aff h GLU 34 CO 0.04 0.00 1.12 0.00 -1.00 0.00 0.00 179.01 179.18 2aff h ASP 36 N 9.52 0.00 -3.29 0.00 3.32 -0.05 -3.37 116.42 122.56 2aff h ASP 36 Ca -0.45 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.07 2aff h ASP 36 Cb 1.28 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.48 2aff h ASP 36 CO 0.96 0.00 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.04 2aff s ILE 37 N -4.90 1.09 -0.11 0.35 1.01 -0.39 -4.95 121.20 113.32 2aff s ILE 37 Ca -0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 2aff s ILE 37 Cb 0.17 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 2aff s ILE 37 CO 0.63 0.36 -0.01 -0.13 0.00 0.00 0.00 174.94 175.79 2aff s ARG 38 N 1.22 3.21 -0.11 2.79 0.52 -1.26 -2.06 118.95 123.26 2aff s ARG 38 Ca -0.04 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 54.75 2aff s ARG 38 Cb -0.14 -2.83 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 2aff s ARG 38 CO -0.03 0.55 -0.20 0.42 0.02 0.00 0.00 175.30 176.05 2aff s ILE 39 N -0.45 2.40 0.00 1.52 1.01 -1.21 -4.98 121.20 119.49 2aff s ILE 39 Ca 0.08 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2aff s ILE 39 Cb -0.12 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.40 2aff s ILE 39 CO 0.02 0.55 0.71 0.00 0.00 0.00 0.00 174.94 176.22 2aff n GLN 40 N 3.49 0.67 -3.75 2.79 6.02 -1.26 -4.65 117.38 120.69 2aff n GLN 40 Ca -0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.45 2aff n GLN 40 Cb 0.53 -1.16 -0.09 0.00 1.02 0.00 0.00 30.24 30.53 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 4.08 0.00 1.08 1.43 -1.26 -4.96 118.68 119.05 2aff s LEU 41 Ca 0.00 0.15 0.21 0.00 -1.03 0.00 0.00 54.13 53.46 2aff s LEU 41 Cb 0.00 -2.07 0.97 0.00 0.03 0.00 0.00 46.19 45.13 2aff s LEU 41 CO 0.00 0.13 1.68 -0.81 0.23 0.00 0.00 176.35 177.58 2aff n PRO 42 N 3.85 0.14 -0.24 1.29 -0.04 -1.26 -2.38 135.00 136.35 2aff n PRO 42 Ca -0.16 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 2aff n PRO 42 Cb 0.52 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.64 -3.70 0.52 0.24 -1.26 -4.92 118.33 108.45 2aff n VAL 43 Ca 0.07 -0.82 -0.37 0.00 -2.04 0.00 0.00 64.34 61.18 2aff n VAL 43 Cb 0.21 0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 33.38 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 -1.36 5.32 0.92 3.34 1.01 -1.00 -4.97 120.40 123.65 2aff s VAL 44 Ca 0.42 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.74 2aff s VAL 44 Cb 0.24 -3.54 0.14 0.00 0.00 0.00 0.00 36.38 33.22 2aff s VAL 44 CO 0.32 0.56 1.09 -0.44 0.00 0.00 0.00 175.10 176.64 2aff s SER 45 N -0.75 3.27 0.23 3.32 0.01 -1.26 -4.52 113.70 114.00 2aff s SER 45 Ca 0.18 1.52 -0.07 0.00 1.31 0.00 0.00 55.95 58.88 2aff s SER 45 Cb -0.14 -2.19 0.20 0.00 0.21 0.00 0.00 66.02 64.10 2aff s SER 45 CO 0.07 -2.77 1.84 0.11 0.41 0.00 0.00 173.24 172.89 2aff h LYS 46 N -1.64 1.25 0.00 12.44 1.57 -1.93 -1.87 116.57 126.39 2aff h LYS 46 Ca -0.50 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.12 2aff h LYS 46 Cb 1.29 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 2aff h LYS 46 CO 0.54 0.93 -1.10 1.04 -0.57 0.00 0.00 179.45 180.29 2aff n GLN 47 N -4.32 0.16 0.00 3.15 6.02 -1.26 -2.30 117.38 118.84 2aff n GLN 47 Ca 0.09 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2aff n GLN 47 Cb 0.12 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.59 0.00 -4.88 1.08 -0.00 -1.12 -3.82 115.22 104.89 2aff n HIS 48 Ca -0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 2aff n HIS 48 Cb 0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.89 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 0.37 1.98 -0.12 0.00 2.20 -0.19 0.27 119.74 124.25 2aff s LYS 50 Ca -0.13 -0.49 -0.00 0.00 -0.36 0.00 0.00 55.97 54.99 2aff s LYS 50 Cb -0.15 -1.66 -0.02 0.00 -1.51 0.00 0.00 37.83 34.49 2aff s LYS 50 CO 0.05 -0.01 -0.12 0.42 -0.36 0.00 0.00 175.35 175.34 2aff s ILE 51 N 0.80 3.16 -0.12 5.43 1.01 0.89 0.74 121.20 133.11 2aff s ILE 51 Ca -0.11 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.93 2aff s ILE 51 Cb -0.16 -2.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 2aff s ILE 51 CO 0.02 0.53 -0.20 -0.70 0.00 0.00 0.00 174.94 174.59 2aff s GLU 52 N 0.22 3.13 -0.28 2.79 2.12 -0.33 -1.23 118.70 125.12 2aff s GLU 52 Ca -0.08 -0.82 -0.07 0.00 0.36 0.00 0.00 54.97 54.36 2aff s GLU 52 Cb -0.15 -2.44 -0.01 0.00 0.26 0.00 0.00 34.13 31.79 2aff s GLU 52 CO 0.05 0.11 0.09 0.42 -0.54 0.00 0.00 175.26 175.39 2aff s ILE 53 N 0.53 4.20 -0.04 -3.70 1.01 0.04 -1.13 121.20 122.12 2aff s ILE 53 Ca -0.13 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2aff s ILE 53 Cb -0.17 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2aff s ILE 53 CO 0.04 0.19 -0.10 -1.00 0.00 0.00 0.00 174.94 174.07 2aff s HIS 54 N 1.56 2.82 0.56 3.97 3.76 0.73 -4.92 115.29 123.77 2aff s HIS 54 Ca 0.05 -0.07 0.50 0.00 -0.15 0.00 0.00 55.06 55.38 2aff s HIS 54 Cb -0.16 -1.65 1.73 0.00 1.11 0.00 0.00 32.58 33.61 2aff s HIS 54 CO 0.03 0.28 1.58 0.93 -0.85 0.00 0.00 174.74 176.71 2aff h GLU 55 N 5.10 0.00 0.19 1.40 5.08 -2.02 0.46 114.58 124.79 2aff h GLU 55 Ca -0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2aff h GLU 55 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2aff h GLU 55 CO 0.51 0.00 -0.09 1.96 -1.00 0.00 0.00 179.01 180.39 2aff h GLN 56 N 0.00 -0.24 0.00 2.33 4.20 -2.01 -3.49 115.11 115.90 2aff h GLN 56 Ca 0.92 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 59.55 2aff h GLN 56 Cb 3.72 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 31.54 2aff h GLN 56 CO -0.01 -0.16 0.08 0.39 -0.67 0.00 0.00 178.83 178.46 2aff n GLU 57 N -2.97 0.72 -3.75 1.46 -0.58 0.16 -5.14 120.64 110.54 2aff n GLU 57 Ca -0.03 -1.83 -0.37 0.00 -0.42 0.00 0.00 57.16 54.51 2aff n GLU 57 Cb 0.10 2.05 -0.12 0.00 -0.57 0.00 0.00 31.44 32.89 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aff s ALA 58 N -2.07 3.15 -0.13 0.62 0.00 -1.26 -0.19 121.76 121.87 2aff s ALA 58 Ca 0.16 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 2aff s ALA 58 Cb -0.02 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 2aff s ALA 58 CO 0.12 -0.59 -0.07 0.42 0.00 0.00 0.00 175.76 175.64 2aff s ILE 59 N 1.60 3.64 -0.20 0.00 1.01 -0.28 0.87 121.20 127.83 2aff s ILE 59 Ca 0.06 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 2aff s ILE 59 Cb -0.16 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 2aff s ILE 59 CO 0.04 0.52 0.18 -0.22 0.00 0.00 0.00 174.94 175.45 2aff s LEU 60 N 0.17 4.19 -0.08 2.97 2.96 0.07 -1.19 118.68 127.77 2aff s LEU 60 Ca -0.03 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 2aff s LEU 60 Cb -0.14 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2aff s LEU 60 CO 0.03 0.13 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.03 2aff s HIS 61 N 0.58 2.68 -0.44 5.38 3.76 0.23 -1.85 115.29 125.63 2aff s HIS 61 Ca 0.10 -0.42 -0.17 0.00 -0.15 0.00 0.00 55.06 54.42 2aff s HIS 61 Cb -0.12 -1.69 0.04 0.00 1.11 0.00 0.00 32.58 31.91 2aff s HIS 61 CO 0.01 -0.02 0.42 1.21 -0.85 0.00 0.00 174.74 175.51 2aff s ASN 62 N -0.27 6.17 0.00 1.40 3.04 -1.26 -1.02 114.94 123.00 2aff s ASN 62 Ca 0.01 -0.88 0.23 0.00 0.04 0.00 0.00 52.86 52.26 2aff s ASN 62 Cb -0.13 -2.21 0.09 0.00 -1.54 0.00 0.00 41.25 37.46 2aff s ASN 62 CO 0.03 -0.61 1.13 0.49 -3.04 0.00 0.00 177.10 175.10 2aff n PHE 63 N 5.50 0.00 -2.11 0.43 3.01 0.25 -4.83 117.46 119.70 2aff n PHE 63 Ca -0.09 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.00 2aff n PHE 63 Cb 0.46 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.84 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 -2.81 5.38 0.04 4.37 0.15 -0.17 -4.58 113.70 116.08 2aff s SER 64 Ca 0.13 0.01 -0.18 0.00 0.70 0.00 0.00 55.95 56.61 2aff s SER 64 Cb 0.17 -2.54 -0.19 0.00 -1.71 0.00 0.00 66.02 61.75 2aff s SER 64 CO 0.72 -2.36 1.20 0.28 1.20 0.00 0.00 173.24 174.27 2aff h SER 65 N 13.60 0.64 -0.47 5.45 0.02 -1.91 -3.07 113.55 127.81 2aff h SER 65 Ca -0.18 -0.68 -0.05 0.00 -0.84 0.00 0.00 61.79 60.04 2aff h SER 65 Cb 1.12 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 2aff h SER 65 CO 1.23 1.21 0.09 0.74 -1.14 0.00 0.00 176.83 178.96 2aff h THR 66 N 0.11 1.24 -2.77 -2.27 2.02 -2.00 -3.40 112.91 105.83 2aff h THR 66 Ca -0.05 -0.89 -0.53 0.00 0.77 0.00 0.00 66.41 65.71 2aff h THR 66 Cb 1.24 0.92 -0.40 0.00 -1.74 0.00 0.00 68.15 68.17 2aff h THR 66 CO 0.12 0.31 -0.78 0.20 0.37 0.00 0.00 175.52 175.74 2aff s ASN 67 N -6.16 3.50 0.52 4.18 0.01 -1.24 -5.14 114.94 110.61 2aff s ASN 67 Ca -0.13 -1.28 -0.22 0.00 -0.71 0.00 0.00 52.86 50.52 2aff s ASN 67 Cb 0.11 -0.33 -0.06 0.00 0.41 0.00 0.00 41.25 41.37 2aff s ASN 67 CO 0.79 -0.44 1.17 -2.65 -1.51 0.00 0.00 177.10 174.47 2aff n PRO 68 N 5.25 1.43 -2.53 -0.60 -0.02 -1.16 -4.62 135.00 132.75 2aff n PRO 68 Ca -0.06 0.53 -0.39 0.00 -2.02 0.00 0.00 63.50 61.56 2aff n PRO 68 Cb 0.42 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.34 3.64 -0.11 3.45 2.01 -1.26 -4.85 115.64 117.18 2aff s THR 69 Ca 0.70 1.48 -0.04 0.00 0.31 0.00 0.00 61.69 64.14 2aff s THR 69 Cb -0.45 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 2aff s THR 69 CO 0.51 0.22 0.05 -1.10 -0.69 0.00 0.00 174.62 173.61 2aff s GLN 70 N -1.88 3.25 -0.04 4.92 -0.21 -0.60 -1.21 119.66 123.89 2aff s GLN 70 Ca 0.50 -0.33 0.03 0.00 0.02 0.00 0.00 55.36 55.59 2aff s GLN 70 Cb -0.27 -2.96 0.00 0.00 1.00 0.00 0.00 33.01 30.78 2aff s GLN 70 CO 0.34 0.66 -0.13 0.08 -2.12 0.00 0.00 175.29 174.12 2aff s VAL 71 N -0.73 1.14 -1.33 1.09 1.01 0.47 0.20 120.40 122.25 2aff s VAL 71 Ca 0.12 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 2aff s VAL 71 Cb -0.12 -1.01 0.05 0.00 0.00 0.00 0.00 36.38 35.30 2aff s VAL 71 CO 0.02 0.34 0.47 0.59 0.00 0.00 0.00 175.10 176.53 2aff n ASN 72 N 3.36 -4.36 -0.65 3.32 3.02 -0.10 -0.25 115.26 119.59 2aff n ASN 72 Ca -0.19 -0.30 -0.06 0.00 -0.03 0.00 0.00 54.58 53.99 2aff n ASN 72 Cb 0.53 -3.59 -0.01 0.00 -0.61 0.00 0.00 39.78 36.10 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 -1.23 0.38 3.12 7.41 0.00 -1.26 -5.03 105.19 108.57 2aff n GLY 73 Ca -0.05 -0.67 -0.13 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 -2.79 -0.22 0.28 1.61 0.01 0.66 -5.10 113.70 108.15 2aff s SER 74 Ca 0.00 0.39 -0.29 0.00 1.31 0.00 0.00 55.95 57.36 2aff s SER 74 Cb 0.00 0.44 -0.10 0.00 0.21 0.00 0.00 66.02 66.58 2aff s SER 74 CO 0.00 -0.12 1.29 -0.69 0.41 0.00 0.00 173.24 174.13 2aff s VAL 75 N -0.07 2.95 -0.64 3.43 1.01 -1.26 0.18 120.40 126.00 2aff s VAL 75 Ca -0.02 0.89 -0.02 0.00 0.00 0.00 0.00 61.98 62.84 2aff s VAL 75 Cb -0.02 -3.57 0.16 0.00 0.00 0.00 0.00 36.38 32.95 2aff s VAL 75 CO 0.01 0.19 0.45 0.27 0.00 0.00 0.00 175.10 176.01 2aff s ILE 76 N -0.72 3.61 0.40 2.22 -4.36 -0.35 -4.87 121.20 117.13 2aff s ILE 76 Ca 0.51 -3.14 0.21 0.00 -0.26 0.00 0.00 60.65 57.97 2aff s ILE 76 Cb -0.38 -3.36 0.22 0.00 1.25 0.00 0.00 42.46 40.19 2aff s ILE 76 CO 0.47 -0.89 1.98 -0.78 0.24 0.00 0.00 174.94 175.95 2aff h ASP 77 N 6.81 0.00 -1.88 4.36 3.58 -1.95 -3.42 116.42 123.92 2aff h ASP 77 Ca -0.00 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.83 2aff h ASP 77 Cb 0.93 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 41.84 2aff h ASP 77 CO 0.72 0.20 -0.66 -1.61 -2.88 0.00 0.00 179.24 175.00 2aff s GLU 78 N -4.27 1.85 0.49 0.28 2.02 -1.26 -4.90 118.70 112.91 2aff s GLU 78 Ca -0.03 -1.98 -0.24 0.00 0.02 0.00 0.00 54.97 52.75 2aff s GLU 78 Cb 0.14 -1.69 -0.07 0.00 0.10 0.00 0.00 34.13 32.61 2aff s GLU 78 CO 0.65 0.10 1.40 -2.30 0.02 0.00 0.00 175.26 175.13 2aff n PRO 79 N -0.83 2.00 -4.07 0.39 -0.02 -1.26 -4.77 135.00 126.43 2aff n PRO 79 Ca -0.05 0.72 -0.15 0.00 -2.02 0.00 0.00 63.50 62.00 2aff n PRO 79 Cb 0.64 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 2aff n PRO 79 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2aff s VAL 80 N -1.23 0.31 0.13 -1.45 -7.23 -0.77 -4.98 120.40 105.17 2aff s VAL 80 Ca 0.66 -0.14 -0.30 0.00 -1.81 0.00 0.00 61.98 60.39 2aff s VAL 80 Cb -0.43 -0.28 -0.07 0.00 0.56 0.00 0.00 36.38 36.15 2aff s VAL 80 CO 0.54 0.10 1.20 -0.13 -0.31 0.00 0.00 175.10 176.50 2aff s ARG 81 N 0.09 4.46 0.07 4.82 0.52 -1.26 -0.75 118.95 126.90 2aff s ARG 81 Ca -0.01 1.84 -0.28 0.00 -0.52 0.00 0.00 55.73 56.76 2aff s ARG 81 Cb -0.04 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 2aff s ARG 81 CO -0.00 -0.17 0.90 -0.51 0.02 0.00 0.00 175.30 175.54 2aff s LEU 82 N 0.37 4.46 0.09 2.53 1.43 0.25 -4.90 118.68 122.91 2aff s LEU 82 Ca 0.56 1.66 0.08 0.00 -1.03 0.00 0.00 54.13 55.40 2aff s LEU 82 Cb -0.31 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 2aff s LEU 82 CO 0.33 -0.07 -0.20 -0.54 0.23 0.00 0.00 176.35 176.10 2aff s LYS 83 N 0.15 1.10 -0.28 1.70 1.02 -1.26 -4.58 119.74 117.58 2aff s LYS 83 Ca 0.45 -1.11 -0.35 0.00 0.02 0.00 0.00 55.97 54.98 2aff s LYS 83 Cb -0.22 -1.31 -0.11 0.00 -0.52 0.00 0.00 37.83 35.67 2aff s LYS 83 CO 0.27 0.31 2.11 1.58 -0.92 0.00 0.00 175.35 178.70 2aff n HIS 84 N 1.18 1.81 0.00 3.18 -0.00 -1.26 -0.34 115.22 119.78 2aff n HIS 84 Ca -0.20 0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 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 5.90 1.20 3.73 1.57 0.00 -0.32 -4.98 105.19 112.28 2aff n GLY 85 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.95 6.92 -0.14 1.61 1.01 0.53 -4.76 116.67 119.89 2aff s ASP 86 Ca 0.00 2.31 -0.03 0.00 0.71 0.00 0.00 52.55 55.54 2aff s ASP 86 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2aff s ASP 86 CO 0.00 -0.54 -0.02 -0.69 0.21 0.00 0.00 175.17 174.13 2aff s VAL 87 N 0.54 4.06 -0.17 -1.27 1.01 -1.26 -0.96 120.40 122.34 2aff s VAL 87 Ca 0.59 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 2aff s VAL 87 Cb -0.35 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2aff s VAL 87 CO 0.34 0.52 0.05 -0.63 0.00 0.00 0.00 175.10 175.38 2aff s ILE 88 N 0.03 4.69 -0.13 2.22 1.01 0.17 -0.93 121.20 128.26 2aff s ILE 88 Ca 0.01 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.61 2aff s ILE 88 Cb -0.13 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.26 2aff s ILE 88 CO 0.02 0.48 -0.18 -0.89 0.00 0.00 0.00 174.94 174.38 2aff s THR 89 N 0.24 1.76 -0.19 2.92 2.01 0.55 0.13 115.64 123.05 2aff s THR 89 Ca 0.03 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 2aff s THR 89 Cb -0.12 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 2aff s THR 89 CO 0.01 0.49 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.76 2aff s ILE 90 N 1.07 3.55 0.00 1.82 1.01 0.94 -1.56 121.20 128.03 2aff s ILE 90 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2aff s ILE 90 Cb -0.14 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.73 2aff s ILE 90 CO -0.05 0.45 0.00 -0.38 0.00 0.00 0.00 174.94 174.96 2aff n ILE 91 N 4.31 0.00 -0.01 2.92 5.41 -1.26 0.36 119.36 131.09 2aff n ILE 91 Ca -0.18 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.61 2aff n ILE 91 Cb 0.52 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.52 2aff n ILE 91 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2aff n ASP 92 N 1.25 2.32 -4.30 4.38 5.75 -1.26 -4.98 116.55 119.71 2aff n ASP 92 Ca 0.00 -1.82 -0.31 0.00 -0.01 0.00 0.00 54.79 52.64 2aff n ASP 92 Cb 0.00 -0.11 -0.16 0.00 -1.03 0.00 0.00 41.12 39.82 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2aff s ARG 93 N -0.89 2.41 0.03 0.11 1.81 1.14 -4.63 118.95 118.93 2aff s ARG 93 Ca 0.13 -0.89 0.01 0.00 -1.72 0.00 0.00 55.73 53.25 2aff s ARG 93 Cb 0.07 -2.15 -0.02 0.00 -0.45 0.00 0.00 34.95 32.40 2aff s ARG 93 CO 0.09 0.46 -0.05 0.45 -0.68 0.00 0.00 175.30 175.57 2aff s SER 94 N -0.35 0.51 -0.04 0.23 0.15 -1.26 0.32 113.70 113.25 2aff s SER 94 Ca 0.02 -0.53 0.03 0.00 0.70 0.00 0.00 55.95 56.17 2aff s SER 94 Cb -0.12 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2aff s SER 94 CO 0.02 -0.26 -0.13 -0.36 1.20 0.00 0.00 173.24 173.71 2aff s PHE 95 N -1.47 1.34 -0.10 3.44 0.40 0.12 -1.58 117.98 120.12 2aff s PHE 95 Ca -0.13 -0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 55.66 2aff s PHE 95 Cb -0.10 -0.94 -0.05 0.00 0.51 0.00 0.00 43.02 42.45 2aff s PHE 95 CO -0.01 -0.17 0.34 0.50 0.70 0.00 0.00 175.22 176.59 2aff s ARG 96 N 0.26 4.08 -0.24 0.44 3.52 -0.40 -0.65 118.95 125.96 2aff s ARG 96 Ca -0.06 0.22 -0.17 0.00 -0.13 0.00 0.00 55.73 55.59 2aff s ARG 96 Cb -0.11 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 2aff s ARG 96 CO 0.02 0.42 0.46 -0.47 -0.81 0.00 0.00 175.30 174.91 2aff s TYR 97 N -0.12 3.29 -0.05 5.12 5.04 -0.13 -1.93 117.35 128.56 2aff s TYR 97 Ca 0.20 0.59 0.01 0.00 -2.44 0.00 0.00 57.07 55.43 2aff s TYR 97 Cb -0.14 -2.64 0.02 0.00 0.35 0.00 0.00 41.96 39.55 2aff s TYR 97 CO 0.08 -0.19 -0.04 -1.21 -1.34 0.00 0.00 175.55 172.85 2aff s GLU 98 N 1.97 0.81 0.54 4.97 2.02 -0.81 -1.18 118.70 127.03 2aff s GLU 98 Ca 0.20 -0.07 0.02 0.00 0.02 0.00 0.00 54.97 55.14 2aff s GLU 98 Cb -0.15 -0.89 0.03 0.00 0.10 0.00 0.00 34.13 33.22 2aff s GLU 98 CO 0.09 -0.13 0.75 -0.80 0.02 0.00 0.00 175.26 175.19 2aff s ASN 99 N 1.15 5.29 0.00 -0.19 0.01 -1.26 -1.20 114.94 118.74 2aff s ASN 99 Ca -0.07 -0.09 0.02 0.00 -0.71 0.00 0.00 52.86 52.01 2aff s ASN 99 Cb -0.14 -0.80 0.13 0.00 0.41 0.00 0.00 41.25 40.86 2aff s ASN 99 CO -0.01 -1.12 0.62 1.21 -1.51 0.00 0.00 177.10 176.29