#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 0.76 -3.27 0.52 -2.24 -1.26 -4.91 114.28 103.88 2aff n THR 4 Ca 0.00 -0.37 -0.40 0.00 -2.27 0.00 0.00 64.05 61.02 2aff n THR 4 Cb 0.00 -0.86 -0.08 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 -2.27 4.06 -0.01 -0.78 0.52 -1.26 -0.37 118.95 118.83 2aff s ARG 5 Ca -0.12 0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.38 2aff s ARG 5 Cb 0.04 -3.65 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 2aff s ARG 5 CO 0.37 -0.34 -0.11 1.03 0.02 0.00 0.00 175.30 176.27 2aff s ARG 6 N 2.26 0.96 -0.11 3.54 0.52 -0.50 -1.72 118.95 123.90 2aff s ARG 6 Ca 0.20 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 55.02 2aff s ARG 6 Cb -0.16 -0.92 -0.01 0.00 0.52 0.00 0.00 34.95 34.38 2aff s ARG 6 CO 0.09 0.23 -0.15 -1.17 0.02 0.00 0.00 175.30 174.32 2aff s LEU 7 N -0.19 2.60 -0.12 2.53 2.96 -0.98 -1.49 118.68 123.98 2aff s LEU 7 Ca 0.03 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 2aff s LEU 7 Cb -0.05 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2aff s LEU 7 CO -0.00 0.20 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.47 2aff s VAL 8 N 0.15 3.64 0.22 1.68 1.01 -0.66 0.94 120.40 127.38 2aff s VAL 8 Ca -0.08 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 2aff s VAL 8 Cb -0.15 -2.55 -0.08 0.00 0.00 0.00 0.00 36.38 33.60 2aff s VAL 8 CO 0.05 0.53 0.77 -0.89 0.00 0.00 0.00 175.10 175.57 2aff s THR 9 N -0.01 4.46 -0.10 3.92 2.01 -0.92 -1.37 115.64 123.64 2aff s THR 9 Ca -0.01 1.48 -0.01 0.00 0.31 0.00 0.00 61.69 63.46 2aff s THR 9 Cb -0.14 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 2aff s THR 9 CO 0.03 0.29 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.57 2aff s ILE 10 N -1.43 3.87 0.42 1.82 -1.09 -0.71 -2.34 121.20 121.73 2aff s ILE 10 Ca 0.42 -0.40 -0.02 0.00 -2.23 0.00 0.00 60.65 58.42 2aff s ILE 10 Cb -0.19 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 38.04 2aff s ILE 10 CO 0.23 0.57 0.66 -0.54 -1.23 0.00 0.00 174.94 174.63 2aff s LYS 11 N -0.49 3.42 0.48 2.79 1.02 0.11 -4.45 119.74 122.62 2aff s LYS 11 Ca 0.08 -0.17 0.21 0.00 0.02 0.00 0.00 55.97 56.10 2aff s LYS 11 Cb -0.12 -2.54 1.22 0.00 -0.52 0.00 0.00 37.83 35.87 2aff s LYS 11 CO 0.02 -0.06 1.94 0.00 -0.92 0.00 0.00 175.35 176.33 2aff h ARG 12 N 0.49 0.22 -0.00 1.68 3.08 -1.87 0.50 114.38 118.48 2aff h ARG 12 Ca -0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2aff h ARG 12 Cb 1.22 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2aff h ARG 12 CO 0.61 0.14 -0.05 -1.13 -1.07 0.00 0.00 179.97 178.47 2aff n SER 13 N -4.42 0.14 -0.22 7.04 3.41 -1.26 -4.89 113.62 113.41 2aff n SER 13 Ca 0.13 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2aff n SER 13 Cb 0.60 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 1.32 1.00 3.17 5.00 0.00 0.18 -5.09 105.19 110.78 2aff n GLY 14 Ca 0.13 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.45 1.66 0.16 1.61 1.01 -1.24 -4.85 120.40 116.31 2aff s VAL 15 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 2aff s VAL 15 Cb 0.00 -1.43 -0.07 0.00 0.00 0.00 0.00 36.38 34.88 2aff s VAL 15 CO 0.00 0.47 0.94 1.51 0.00 0.00 0.00 175.10 178.03 2aff s ASP 16 N 0.12 7.55 0.00 3.32 -4.77 -1.26 0.04 116.67 121.67 2aff s ASP 16 Ca -0.08 1.85 0.00 0.00 -3.30 0.00 0.00 52.55 51.02 2aff s ASP 16 Cb -0.14 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.10 2aff s ASP 16 CO 0.04 0.03 0.00 0.61 0.70 0.00 0.00 175.17 176.55 2aff n GLY 17 N 1.93 2.50 3.77 2.12 0.00 -0.99 -4.96 105.19 109.56 2aff n GLY 17 Ca 0.00 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 2.06 4.15 0.07 1.61 0.04 -1.26 -4.77 135.00 136.90 2aff s PRO 18 Ca 0.00 1.75 0.04 0.00 0.04 0.00 0.00 61.00 62.83 2aff s PRO 18 Cb 0.00 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 2aff s PRO 18 CO 0.00 -0.21 -0.01 -3.38 0.04 0.00 0.00 177.00 173.44 2aff s HIS 19 N -1.45 2.98 -0.46 0.56 -3.43 -1.26 -2.16 115.29 110.07 2aff s HIS 19 Ca 0.56 -0.02 0.03 0.00 -0.80 0.00 0.00 55.06 54.82 2aff s HIS 19 Cb -0.29 -1.55 0.12 0.00 -1.43 0.00 0.00 32.58 29.43 2aff s HIS 19 CO 0.36 0.47 0.20 0.12 -2.00 0.00 0.00 174.74 173.88 2aff s PHE 20 N -1.25 3.46 0.14 0.38 5.36 0.27 -4.97 117.98 121.37 2aff s PHE 20 Ca 0.24 -2.99 -0.31 0.00 -0.96 0.00 0.00 56.93 52.91 2aff s PHE 20 Cb -0.12 -2.94 -0.11 0.00 -0.34 0.00 0.00 43.02 39.51 2aff s PHE 20 CO 0.16 -0.85 1.79 -2.14 -1.46 0.00 0.00 175.22 172.72 2aff s PRO 21 N 0.31 4.14 -0.45 10.12 0.02 -1.26 -2.33 135.00 145.54 2aff s PRO 21 Ca 0.14 2.58 -0.03 0.00 0.02 0.00 0.00 61.00 63.71 2aff s PRO 21 Cb -0.22 -3.45 0.11 0.00 0.02 0.00 0.00 34.50 30.96 2aff s PRO 21 CO -0.04 -0.81 2.58 1.28 -0.33 0.00 0.00 177.00 179.68 2aff n LEU 22 N 5.20 6.56 0.20 -5.54 4.77 -0.70 -4.53 117.00 122.96 2aff n LEU 22 Ca 0.17 -3.97 0.15 0.00 -0.03 0.00 0.00 56.01 52.33 2aff n LEU 22 Cb 0.37 -1.19 0.67 0.00 -2.33 0.00 0.00 43.42 40.95 2aff n LEU 22 CO 0.65 1.63 0.93 0.28 -1.33 0.00 0.00 177.39 179.55 2aff h SER 23 N 2.69 0.00 -3.80 -1.43 0.02 -1.91 -3.43 113.55 105.69 2aff h SER 23 Ca 0.39 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.85 2aff h SER 23 Cb 0.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2aff h SER 23 CO 0.90 0.00 0.38 -0.76 -1.14 0.00 0.00 176.83 176.21 2aff s LEU 24 N -5.15 4.53 0.62 5.07 1.43 -1.26 -4.93 118.68 119.00 2aff s LEU 24 Ca 0.01 2.00 0.38 0.00 -1.03 0.00 0.00 54.13 55.49 2aff s LEU 24 Cb 0.09 -3.74 2.10 0.00 0.03 0.00 0.00 46.19 44.67 2aff s LEU 24 CO 0.39 0.00 2.29 0.77 0.23 0.00 0.00 176.35 180.03 2aff h SER 25 N 3.76 0.00 -3.72 2.29 4.64 -1.92 -3.42 113.55 115.18 2aff h SER 25 Ca -0.46 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.55 2aff h SER 25 Cb 1.20 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.99 2aff h SER 25 CO 0.67 0.01 -0.74 -0.89 -0.87 0.00 0.00 176.83 175.00 2aff s THR 26 N -4.26 0.25 -0.10 2.95 2.01 -1.26 -1.37 115.64 113.86 2aff s THR 26 Ca -0.04 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.89 2aff s THR 26 Cb 0.13 -0.25 0.02 0.00 0.01 0.00 0.00 72.50 72.41 2aff s THR 26 CO 0.48 0.10 -0.09 0.00 -0.69 0.00 0.00 174.62 174.42 2aff s LEU 28 N 1.44 2.40 -0.20 0.00 2.96 -1.26 -0.28 118.68 123.74 2aff s LEU 28 Ca -0.00 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.42 2aff s LEU 28 Cb -0.13 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 2aff s LEU 28 CO -0.05 0.17 0.02 -0.36 -1.32 0.00 0.00 176.35 174.81 2aff s PHE 29 N 0.28 3.08 0.00 5.38 0.40 0.18 -0.35 117.98 126.95 2aff s PHE 29 Ca -0.13 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 2aff s PHE 29 Cb -0.17 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.28 2aff s PHE 29 CO 0.07 -0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.24 2aff n GLY 30 N 4.12 -0.77 0.10 4.36 0.00 -0.81 -2.41 105.19 109.78 2aff n GLY 30 Ca -0.17 -1.10 -0.08 0.00 0.00 0.00 0.00 46.02 44.67 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 0.10 -6.70 1.61 3.08 -1.60 -2.99 114.38 107.88 2aff h ARG 31 Ca 0.00 -0.12 -0.57 0.00 0.07 0.00 0.00 59.98 59.35 2aff h ARG 31 Cb 0.00 0.04 0.17 0.00 0.08 0.00 0.00 29.97 30.26 2aff h ARG 31 CO 0.00 0.95 -0.12 0.41 -1.07 0.00 0.00 179.97 180.15 2aff n GLY 32 N 1.05 -0.87 0.23 0.04 0.00 -1.25 -4.83 105.19 99.57 2aff n GLY 32 Ca -0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 0.29 1.27 0.00 -0.61 6.09 -1.93 -2.32 117.51 120.30 2aff h ILE 33 Ca -0.47 -1.11 0.00 0.00 -1.37 0.00 0.00 64.86 61.91 2aff h ILE 33 Cb 1.38 1.14 0.00 0.00 0.47 0.00 0.00 36.82 39.81 2aff h ILE 33 CO 0.49 0.37 0.30 -0.08 -3.07 0.00 0.00 178.15 176.16 2aff h GLU 34 N 0.60 0.00 -6.54 2.19 4.81 -1.97 -3.41 114.58 110.26 2aff h GLU 34 Ca 0.11 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.82 2aff h GLU 34 Cb 0.55 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.97 2aff h GLU 34 CO 0.03 0.00 1.01 0.00 -0.73 0.00 0.00 179.01 179.33 2aff h ASP 36 N 7.82 0.19 -3.16 0.00 3.32 -0.93 -3.37 116.42 120.28 2aff h ASP 36 Ca -0.44 -0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.02 2aff h ASP 36 Cb 1.21 -0.05 -0.36 0.00 0.22 0.00 0.00 39.33 40.35 2aff h ASP 36 CO 0.94 0.19 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.19 2aff s ILE 37 N -5.10 1.40 -0.21 0.35 1.01 -0.23 -4.95 121.20 113.46 2aff s ILE 37 Ca -0.06 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 2aff s ILE 37 Cb 0.17 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 2aff s ILE 37 CO 0.70 0.43 0.13 -0.13 0.00 0.00 0.00 174.94 176.07 2aff s ARG 38 N 1.46 4.13 -0.15 2.79 0.52 -1.26 -1.93 118.95 124.52 2aff s ARG 38 Ca 0.03 -0.25 -0.01 0.00 -0.52 0.00 0.00 55.73 54.98 2aff s ARG 38 Cb -0.13 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 2aff s ARG 38 CO -0.08 0.23 -0.10 0.42 0.02 0.00 0.00 175.30 175.78 2aff s ILE 39 N 0.56 3.24 -0.33 1.52 1.01 -1.13 -4.98 121.20 121.10 2aff s ILE 39 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2aff s ILE 39 Cb -0.12 -2.39 0.03 0.00 0.01 0.00 0.00 42.46 39.99 2aff s ILE 39 CO 0.00 0.50 0.89 0.00 0.00 0.00 0.00 174.94 176.33 2aff n GLN 40 N 3.76 1.10 -3.50 2.79 6.02 -1.26 -4.47 117.38 121.83 2aff n GLN 40 Ca -0.18 -0.14 -0.37 0.00 -0.01 0.00 0.00 57.00 56.30 2aff n GLN 40 Cb 0.52 -1.21 -0.07 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 -0.15 4.29 0.12 1.08 1.43 -1.26 -4.96 118.68 119.22 2aff s LEU 41 Ca 0.03 0.63 0.19 0.00 -1.03 0.00 0.00 54.13 53.94 2aff s LEU 41 Cb 0.02 -2.46 0.78 0.00 0.03 0.00 0.00 46.19 44.56 2aff s LEU 41 CO 0.01 0.12 1.57 -0.81 0.23 0.00 0.00 176.35 177.47 2aff n PRO 42 N 3.31 0.09 -0.48 1.29 -0.04 -1.26 -2.32 135.00 135.59 2aff n PRO 42 Ca -0.11 0.33 0.10 0.00 -0.04 0.00 0.00 63.50 63.77 2aff n PRO 42 Cb 0.52 -1.67 0.32 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.83 1.35 -3.81 0.52 0.24 -1.26 -4.89 118.33 108.64 2aff n VAL 43 Ca 0.03 -1.01 -0.35 0.00 -2.04 0.00 0.00 64.34 60.96 2aff n VAL 43 Cb 0.20 0.26 -0.08 0.00 -1.47 0.00 0.00 33.84 32.74 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 -1.50 5.27 1.06 3.34 1.01 -0.98 -4.93 120.40 123.68 2aff s VAL 44 Ca 0.47 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 62.43 2aff s VAL 44 Cb 0.28 -3.39 0.22 0.00 0.00 0.00 0.00 36.38 33.49 2aff s VAL 44 CO 0.27 0.46 1.12 -0.55 0.00 0.00 0.00 175.10 176.40 2aff s SER 45 N 0.24 2.13 0.18 3.32 0.15 -1.26 -4.48 113.70 113.98 2aff s SER 45 Ca 0.07 0.87 -0.10 0.00 0.70 0.00 0.00 55.95 57.49 2aff s SER 45 Cb -0.11 -1.32 0.08 0.00 -1.71 0.00 0.00 66.02 62.96 2aff s SER 45 CO -0.01 -3.40 1.69 0.11 1.20 0.00 0.00 173.24 172.83 2aff h LYS 46 N -2.08 0.99 -0.00 5.44 1.57 -1.94 -2.68 116.57 117.87 2aff h LYS 46 Ca -0.50 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.05 2aff h LYS 46 Cb 1.31 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2aff h LYS 46 CO 0.48 0.90 -0.13 1.04 -0.57 0.00 0.00 179.45 181.17 2aff n GLN 47 N -4.34 4.10 0.00 3.15 6.02 -1.26 -3.90 117.38 121.16 2aff n GLN 47 Ca 0.04 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 2aff n GLN 47 Cb 0.24 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 30.71 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 -0.73 0.00 -4.58 1.08 -0.00 -1.16 -3.89 115.22 105.94 2aff n HIS 48 Ca 0.01 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.96 2aff n HIS 48 Cb 0.07 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.78 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 0.35 1.68 -0.08 0.00 2.20 -0.68 0.50 119.74 123.71 2aff s LYS 50 Ca -0.08 -0.44 0.04 0.00 -0.36 0.00 0.00 55.97 55.13 2aff s LYS 50 Cb -0.12 -1.40 -0.01 0.00 -1.51 0.00 0.00 37.83 34.78 2aff s LYS 50 CO 0.02 0.07 -0.20 0.42 -0.36 0.00 0.00 175.35 175.30 2aff s ILE 51 N 0.54 2.51 -0.11 5.43 1.01 0.62 0.55 121.20 131.74 2aff s ILE 51 Ca -0.12 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.64 2aff s ILE 51 Cb -0.15 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 2aff s ILE 51 CO 0.03 0.56 -0.10 -0.70 0.00 0.00 0.00 174.94 174.73 2aff s GLU 52 N -0.03 3.20 -0.24 2.79 2.12 -0.62 -1.48 118.70 124.45 2aff s GLU 52 Ca -0.06 -0.63 -0.09 0.00 0.36 0.00 0.00 54.97 54.55 2aff s GLU 52 Cb -0.15 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 2aff s GLU 52 CO 0.05 0.36 0.13 0.42 -0.54 0.00 0.00 175.26 175.68 2aff s ILE 53 N -0.02 5.03 -0.06 -3.70 -1.09 -0.47 -2.07 121.20 118.82 2aff s ILE 53 Ca -0.02 0.07 0.04 0.00 -2.23 0.00 0.00 60.65 58.50 2aff s ILE 53 Cb -0.14 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 2aff s ILE 53 CO 0.04 0.35 -0.18 -1.00 -1.23 0.00 0.00 174.94 172.92 2aff s HIS 54 N 1.13 1.90 0.60 3.97 3.76 -0.00 -4.93 115.29 121.72 2aff s HIS 54 Ca 0.06 -0.66 0.27 0.00 -0.15 0.00 0.00 55.06 54.58 2aff s HIS 54 Cb -0.14 -1.30 0.92 0.00 1.11 0.00 0.00 32.58 33.18 2aff s HIS 54 CO 0.05 -0.27 1.29 -1.91 -0.85 0.00 0.00 174.74 173.05 2aff n GLU 55 N 3.43 0.01 0.06 1.40 2.13 -1.26 0.77 120.64 127.18 2aff n GLU 55 Ca -0.20 1.01 -0.02 0.00 0.66 0.00 0.00 57.16 58.61 2aff n GLU 55 Cb 0.52 -2.52 -0.01 0.00 0.27 0.00 0.00 31.44 29.71 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2aff h GLN 56 N 0.00 -0.15 0.00 5.31 4.20 -2.01 -3.49 115.11 118.97 2aff h GLN 56 Ca 0.50 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.22 2aff h GLN 56 Cb 2.94 0.03 0.00 0.00 0.30 0.00 0.00 27.48 30.75 2aff h GLN 56 CO -0.01 -0.10 0.00 -1.91 -0.67 0.00 0.00 178.83 176.15 2aff n GLU 57 N -2.56 0.00 -4.90 1.46 4.07 0.23 -5.16 120.64 113.78 2aff n GLU 57 Ca -0.02 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.76 2aff n GLU 57 Cb 0.06 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.28 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 -1.06 2.30 -0.13 4.31 0.00 -1.26 -0.82 121.76 125.10 2aff s ALA 58 Ca 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2aff s ALA 58 Cb 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 2aff s ALA 58 CO 0.00 0.15 -0.16 0.42 0.00 0.00 0.00 175.76 176.17 2aff s ILE 59 N 0.55 2.79 -0.18 0.00 1.01 -0.88 0.16 121.20 124.65 2aff s ILE 59 Ca -0.13 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.64 2aff s ILE 59 Cb -0.17 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 2aff s ILE 59 CO 0.04 0.53 0.28 -0.22 0.00 0.00 0.00 174.94 175.57 2aff s LEU 60 N 0.39 4.21 -0.12 2.97 2.96 0.35 -1.59 118.68 127.85 2aff s LEU 60 Ca -0.12 0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 54.22 2aff s LEU 60 Cb -0.16 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 2aff s LEU 60 CO 0.06 0.08 -0.07 -1.00 -1.32 0.00 0.00 176.35 174.10 2aff s HIS 61 N 0.64 2.95 -0.53 5.38 3.76 0.19 -1.96 115.29 125.72 2aff s HIS 61 Ca 0.15 -0.28 -0.19 0.00 -0.15 0.00 0.00 55.06 54.59 2aff s HIS 61 Cb -0.13 -1.86 0.07 0.00 1.11 0.00 0.00 32.58 31.77 2aff s HIS 61 CO 0.04 0.03 0.64 1.21 -0.85 0.00 0.00 174.74 175.81 2aff s ASN 62 N 0.02 6.21 0.00 1.40 2.47 -1.26 -1.68 114.94 122.09 2aff s ASN 62 Ca -0.01 -1.07 0.23 0.00 0.42 0.00 0.00 52.86 52.43 2aff s ASN 62 Cb -0.14 -2.29 0.08 0.00 -1.45 0.00 0.00 41.25 37.45 2aff s ASN 62 CO 0.03 -0.95 1.12 0.49 -3.72 0.00 0.00 177.10 174.08 2aff n PHE 63 N 6.20 0.00 -2.16 0.43 3.01 0.31 -4.84 117.46 120.41 2aff n PHE 63 Ca -0.07 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.99 2aff n PHE 63 Cb 0.44 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.83 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 -2.79 5.54 0.14 4.37 0.15 -0.08 -4.51 113.70 116.51 2aff s SER 64 Ca 0.14 0.23 0.26 0.00 0.70 0.00 0.00 55.95 57.28 2aff s SER 64 Cb 0.17 -2.54 0.72 0.00 -1.71 0.00 0.00 66.02 62.67 2aff s SER 64 CO 0.71 -2.19 1.65 -1.54 1.20 0.00 0.00 173.24 173.07 2aff n SER 65 N 11.74 0.65 -0.08 5.45 3.41 -1.26 -3.60 113.62 129.93 2aff n SER 65 Ca 0.17 0.39 -0.18 0.00 -0.26 0.00 0.00 58.87 58.98 2aff n SER 65 Cb 0.51 -0.42 -0.13 0.00 -0.26 0.00 0.00 64.21 63.91 2aff n SER 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2aff n THR 66 N -2.07 1.58 -3.49 6.66 -1.04 -1.26 -4.87 114.28 109.79 2aff n THR 66 Ca 0.05 -0.64 -0.24 0.00 -2.04 0.00 0.00 64.05 61.18 2aff n THR 66 Cb 0.41 -1.40 -0.13 0.00 -1.82 0.00 0.00 70.33 67.40 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 -6.55 2.61 0.54 8.00 0.01 -1.25 -5.14 114.94 113.16 2aff s ASN 67 Ca -0.26 -0.98 -0.22 0.00 -0.71 0.00 0.00 52.86 50.69 2aff s ASN 67 Cb 0.08 0.04 -0.06 0.00 0.41 0.00 0.00 41.25 41.72 2aff s ASN 67 CO 0.69 -0.41 1.25 -2.65 -1.51 0.00 0.00 177.10 174.47 2aff n PRO 68 N 5.28 1.53 -2.45 -0.60 -0.02 -1.24 -4.63 135.00 132.87 2aff n PRO 68 Ca -0.05 0.56 -0.38 0.00 -2.02 0.00 0.00 63.50 61.62 2aff n PRO 68 Cb 0.45 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 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 -1.32 3.49 -0.08 3.45 2.01 -1.26 -4.86 115.64 117.06 2aff s THR 69 Ca 0.71 1.28 -0.03 0.00 0.31 0.00 0.00 61.69 63.96 2aff s THR 69 Cb -0.44 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2aff s THR 69 CO 0.50 0.14 0.06 -1.10 -0.69 0.00 0.00 174.62 173.53 2aff s GLN 70 N -2.10 3.13 -0.03 4.92 -0.21 -0.63 -2.13 119.66 122.61 2aff s GLN 70 Ca 0.53 -0.34 0.02 0.00 0.02 0.00 0.00 55.36 55.60 2aff s GLN 70 Cb -0.28 -2.92 0.00 0.00 1.00 0.00 0.00 33.01 30.81 2aff s GLN 70 CO 0.35 0.72 -0.09 0.08 -2.12 0.00 0.00 175.29 174.23 2aff s VAL 71 N -0.98 0.78 -1.24 1.09 1.01 0.40 0.14 120.40 121.60 2aff s VAL 71 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2aff s VAL 71 Cb -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.57 2aff s VAL 71 CO 0.05 0.25 0.00 0.59 0.00 0.00 0.00 175.10 175.98 2aff n ASN 72 N 3.32 -3.98 -0.67 3.32 5.03 -0.91 0.10 115.26 121.48 2aff n ASN 72 Ca -0.18 0.22 -0.06 0.00 0.87 0.00 0.00 54.58 55.42 2aff n ASN 72 Cb 0.54 -3.46 -0.00 0.00 -1.02 0.00 0.00 39.78 35.83 2aff n ASN 72 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2aff n GLY 73 N -0.65 0.19 2.97 7.41 0.00 -1.26 -5.04 105.19 108.80 2aff n GLY 73 Ca -0.15 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.75 -0.08 0.35 1.61 0.01 0.29 -5.09 113.70 108.03 2aff s SER 74 Ca 0.00 0.15 -0.27 0.00 1.31 0.00 0.00 55.95 57.15 2aff s SER 74 Cb 0.00 0.18 -0.09 0.00 0.21 0.00 0.00 66.02 66.32 2aff s SER 74 CO 0.00 -0.05 1.11 0.54 0.41 0.00 0.00 173.24 175.26 2aff s VAL 75 N -0.02 3.43 -0.62 3.43 0.11 -1.26 0.15 120.40 125.62 2aff s VAL 75 Ca -0.01 1.27 -0.05 0.00 -2.93 0.00 0.00 61.98 60.26 2aff s VAL 75 Cb -0.01 -3.75 0.16 0.00 -1.53 0.00 0.00 36.38 31.25 2aff s VAL 75 CO 0.00 0.18 0.46 0.27 -3.33 0.00 0.00 175.10 172.68 2aff s ILE 76 N -1.37 4.03 0.42 7.04 -4.36 -0.91 -4.89 121.20 121.16 2aff s ILE 76 Ca 0.52 -2.64 0.12 0.00 -0.26 0.00 0.00 60.65 58.38 2aff s ILE 76 Cb -0.29 -3.61 0.17 0.00 1.25 0.00 0.00 42.46 39.98 2aff s ILE 76 CO 0.37 -0.87 1.96 0.44 0.24 0.00 0.00 174.94 177.08 2aff h ASP 77 N 7.43 0.11 -1.94 4.36 3.32 -1.95 -3.44 116.42 124.31 2aff h ASP 77 Ca -0.03 -0.02 -0.60 0.00 0.02 0.00 0.00 57.03 56.39 2aff h ASP 77 Cb 0.99 -0.03 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 2aff h ASP 77 CO 0.74 0.28 -0.61 -1.61 -1.72 0.00 0.00 179.24 176.31 2aff s GLU 78 N -4.68 1.89 0.50 3.56 2.02 -1.26 -4.94 118.70 115.80 2aff s GLU 78 Ca -0.05 -2.06 -0.23 0.00 0.02 0.00 0.00 54.97 52.65 2aff s GLU 78 Cb 0.16 -1.52 -0.07 0.00 0.10 0.00 0.00 34.13 32.80 2aff s GLU 78 CO 0.71 -0.05 1.35 -2.30 0.02 0.00 0.00 175.26 174.99 2aff n PRO 79 N -0.91 1.84 -4.20 0.39 -0.02 -1.26 -4.78 135.00 126.06 2aff n PRO 79 Ca -0.05 0.67 -0.16 0.00 -2.02 0.00 0.00 63.50 61.94 2aff n PRO 79 Cb 0.67 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.46 2aff n PRO 79 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2aff s VAL 80 N -1.26 0.50 0.08 -1.45 0.11 -0.83 -4.98 120.40 112.57 2aff s VAL 80 Ca 0.67 -0.35 -0.30 0.00 -2.93 0.00 0.00 61.98 59.08 2aff s VAL 80 Cb -0.44 -0.44 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 2aff s VAL 80 CO 0.53 0.09 1.03 -0.60 -3.33 0.00 0.00 175.10 172.82 2aff s ARG 81 N -0.28 4.59 0.05 1.54 3.52 -1.26 -0.50 118.95 126.61 2aff s ARG 81 Ca 0.01 1.54 -0.22 0.00 -0.13 0.00 0.00 55.73 56.94 2aff s ARG 81 Cb -0.03 -3.38 -0.06 0.00 -1.56 0.00 0.00 34.95 29.92 2aff s ARG 81 CO -0.00 0.03 0.64 -0.51 -0.81 0.00 0.00 175.30 174.65 2aff s LEU 82 N 0.42 4.48 0.12 -0.88 1.43 0.42 -4.92 118.68 119.75 2aff s LEU 82 Ca 0.51 1.30 0.08 0.00 -1.03 0.00 0.00 54.13 55.00 2aff s LEU 82 Cb -0.25 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 2aff s LEU 82 CO 0.30 0.16 -0.21 -0.54 0.23 0.00 0.00 176.35 176.29 2aff s LYS 83 N -0.58 1.17 -0.07 1.70 1.02 -1.26 -4.30 119.74 117.41 2aff s LYS 83 Ca 0.32 -1.23 -0.35 0.00 0.02 0.00 0.00 55.97 54.74 2aff s LYS 83 Cb -0.20 -1.40 -0.12 0.00 -0.52 0.00 0.00 37.83 35.60 2aff s LYS 83 CO 0.20 0.32 1.84 1.58 -0.92 0.00 0.00 175.35 178.36 2aff n HIS 84 N 0.89 2.30 0.00 3.18 -0.00 -1.26 -0.64 115.22 119.69 2aff n HIS 84 Ca -0.18 0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 2aff n HIS 84 Cb 0.54 -2.64 0.00 0.00 -0.00 0.00 0.00 29.99 27.90 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 4.27 2.78 3.75 1.57 0.00 -1.00 -4.96 105.19 111.60 2aff n GLY 85 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.43 6.89 -0.11 1.61 1.11 0.19 -4.83 116.67 120.10 2aff s ASP 86 Ca 0.00 2.49 0.01 0.00 0.18 0.00 0.00 52.55 55.22 2aff s ASP 86 Cb 0.00 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.35 2aff s ASP 86 CO 0.00 -0.50 -0.12 -0.69 1.18 0.00 0.00 175.17 175.04 2aff s VAL 87 N -0.40 3.20 -0.15 -1.27 1.01 -1.26 -2.04 120.40 119.49 2aff s VAL 87 Ca 0.53 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 2aff s VAL 87 Cb -0.37 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 2aff s VAL 87 CO 0.43 0.55 0.20 -0.63 0.00 0.00 0.00 175.10 175.65 2aff s ILE 88 N -0.04 5.37 -0.10 2.22 1.01 -0.72 -2.14 121.20 126.80 2aff s ILE 88 Ca -0.02 0.35 0.03 0.00 0.00 0.00 0.00 60.65 61.01 2aff s ILE 88 Cb -0.14 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.82 2aff s ILE 88 CO 0.04 0.49 -0.19 -0.89 0.00 0.00 0.00 174.94 174.39 2aff s THR 89 N -0.13 1.72 -0.12 2.92 2.01 0.38 -0.28 115.64 122.14 2aff s THR 89 Ca 0.14 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.35 2aff s THR 89 Cb -0.12 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 2aff s THR 89 CO 0.03 0.48 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.64 2aff s ILE 90 N 0.68 2.65 0.00 1.82 1.01 0.82 -1.61 121.20 126.58 2aff s ILE 90 Ca -0.12 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2aff s ILE 90 Cb -0.16 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.23 2aff s ILE 90 CO 0.03 0.54 0.00 -0.38 0.00 0.00 0.00 174.94 175.12 2aff n ILE 91 N 3.56 0.00 0.00 2.92 5.41 -1.26 0.40 119.36 130.39 2aff n ILE 91 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2aff n ILE 91 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.46 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 0.00 0.00 -4.12 4.38 8.00 -1.26 -4.98 116.55 118.57 2aff n ASP 92 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 2aff n ASP 92 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 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 -0.02 1.07 0.04 -1.24 0.52 1.30 -4.65 118.95 115.97 2aff s ARG 93 Ca 0.00 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 54.65 2aff s ARG 93 Cb 0.00 -1.05 -0.03 0.00 0.52 0.00 0.00 34.95 34.39 2aff s ARG 93 CO 0.00 0.28 -0.05 -1.54 0.02 0.00 0.00 175.30 174.01 2aff s SER 94 N -0.55 0.58 -0.11 0.23 1.04 -1.26 0.28 113.70 113.91 2aff s SER 94 Ca 0.04 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2aff s SER 94 Cb -0.06 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.18 2aff s SER 94 CO -0.00 -0.34 -0.09 -0.36 0.98 0.00 0.00 173.24 173.43 2aff s PHE 95 N -2.10 1.56 -0.03 5.02 0.40 0.61 -1.75 117.98 121.70 2aff s PHE 95 Ca -0.07 -0.76 -0.29 0.00 -0.60 0.00 0.00 56.93 55.21 2aff s PHE 95 Cb -0.05 -1.24 -0.03 0.00 0.51 0.00 0.00 43.02 42.21 2aff s PHE 95 CO -0.03 -0.49 0.97 0.50 0.70 0.00 0.00 175.22 176.87 2aff s ARG 96 N 1.48 4.51 -0.21 0.44 3.52 -0.47 -1.76 118.95 126.47 2aff s ARG 96 Ca 0.01 1.37 -0.16 0.00 -0.13 0.00 0.00 55.73 56.83 2aff s ARG 96 Cb -0.13 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 2aff s ARG 96 CO -0.06 -0.11 0.39 -0.47 -0.81 0.00 0.00 175.30 174.24 2aff s TYR 97 N 1.26 3.36 -0.11 5.12 5.04 -0.87 -1.65 117.35 129.51 2aff s TYR 97 Ca 0.50 0.59 0.01 0.00 -2.44 0.00 0.00 57.07 55.73 2aff s TYR 97 Cb -0.20 -2.52 0.02 0.00 0.35 0.00 0.00 41.96 39.61 2aff s TYR 97 CO 0.25 -0.02 -0.11 -1.21 -1.34 0.00 0.00 175.55 173.12 2aff s GLU 98 N 1.35 1.83 -0.39 4.97 2.02 -0.56 -2.38 118.70 125.55 2aff s GLU 98 Ca 0.18 -0.40 -0.09 0.00 0.02 0.00 0.00 54.97 54.69 2aff s GLU 98 Cb -0.15 -1.71 0.06 0.00 0.10 0.00 0.00 34.13 32.43 2aff s GLU 98 CO 0.08 -0.17 0.21 1.21 0.02 0.00 0.00 175.26 176.60 2aff s ASN 99 N 1.34 5.58 0.00 -0.19 3.84 -1.26 -1.40 114.94 122.84 2aff s ASN 99 Ca -0.01 -1.28 0.29 0.00 0.21 0.00 0.00 52.86 52.07 2aff s ASN 99 Cb -0.14 -1.96 1.25 0.00 -0.55 0.00 0.00 41.25 39.85 2aff s ASN 99 CO -0.05 -0.44 1.86 -0.62 -2.79 0.00 0.00 177.10 175.05