#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 1.43 -2.81 0.52 -1.04 -1.26 -4.96 114.28 106.16 2aff n THR 4 Ca 0.00 0.11 -0.41 0.00 -2.04 0.00 0.00 64.05 61.72 2aff n THR 4 Cb 0.00 -2.16 -0.04 0.00 -1.82 0.00 0.00 70.33 66.30 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2aff s ARG 5 N -2.71 4.58 -0.06 -2.82 0.52 -1.26 -3.11 118.95 114.09 2aff s ARG 5 Ca -0.25 1.30 0.03 0.00 -0.52 0.00 0.00 55.73 56.28 2aff s ARG 5 Cb 0.05 -3.41 0.01 0.00 0.52 0.00 0.00 34.95 32.11 2aff s ARG 5 CO 0.36 0.13 -0.15 1.03 0.02 0.00 0.00 175.30 176.69 2aff s ARG 6 N 0.40 1.87 -0.14 3.54 0.52 -0.39 -1.82 118.95 122.92 2aff s ARG 6 Ca 0.46 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 55.16 2aff s ARG 6 Cb -0.21 -1.54 -0.00 0.00 0.52 0.00 0.00 34.95 33.72 2aff s ARG 6 CO 0.27 0.10 -0.17 -1.17 0.02 0.00 0.00 175.30 174.34 2aff s LEU 7 N 0.46 2.39 -0.16 2.53 2.96 -0.83 -1.52 118.68 124.51 2aff s LEU 7 Ca -0.12 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.21 2aff s LEU 7 Cb -0.15 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 2aff s LEU 7 CO 0.04 0.10 0.11 0.68 -1.32 0.00 0.00 176.35 175.96 2aff s VAL 8 N 0.72 5.23 -0.37 1.68 -7.23 -1.01 0.94 120.40 120.37 2aff s VAL 8 Ca -0.08 0.12 -0.20 0.00 -1.81 0.00 0.00 61.98 60.02 2aff s VAL 8 Cb -0.16 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.45 2aff s VAL 8 CO 0.01 0.51 0.59 -0.89 -0.31 0.00 0.00 175.10 175.01 2aff s THR 9 N -0.14 4.93 0.29 5.32 2.01 -0.94 -2.57 115.64 124.54 2aff s THR 9 Ca 0.09 0.39 -0.24 0.00 0.31 0.00 0.00 61.69 62.25 2aff s THR 9 Cb -0.12 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 2aff s THR 9 CO 0.01 -0.33 0.88 -0.63 -0.69 0.00 0.00 174.62 173.85 2aff s ILE 10 N 2.60 4.33 0.31 1.82 1.01 -0.96 -2.58 121.20 127.72 2aff s ILE 10 Ca 0.22 1.65 0.06 0.00 0.00 0.00 0.00 60.65 62.58 2aff s ILE 10 Cb -0.15 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 2aff s ILE 10 CO 0.15 0.15 0.42 -0.54 0.00 0.00 0.00 174.94 175.12 2aff s LYS 11 N -2.05 3.12 0.48 2.79 1.02 -0.68 -4.42 119.74 120.00 2aff s LYS 11 Ca 0.48 -1.00 0.14 0.00 0.02 0.00 0.00 55.97 55.61 2aff s LYS 11 Cb -0.18 -2.78 1.13 0.00 -0.52 0.00 0.00 37.83 35.48 2aff s LYS 11 CO 0.23 0.15 2.10 0.00 -0.92 0.00 0.00 175.35 176.90 2aff h ARG 12 N 1.01 0.20 0.00 1.68 3.08 -1.88 0.15 114.38 118.62 2aff h ARG 12 Ca -0.47 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 2aff h ARG 12 Cb 1.25 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 2aff h ARG 12 CO 0.55 0.13 -0.03 1.03 -1.07 0.00 0.00 179.97 180.58 2aff h SER 13 N 0.21 0.00 0.00 7.04 0.87 -1.94 -3.46 113.55 116.27 2aff h SER 13 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2aff h SER 13 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2aff h SER 13 CO -0.02 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.92 2aff n GLY 14 N 0.04 1.10 3.53 5.77 0.00 0.51 -5.10 105.19 111.05 2aff n GLY 14 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2aff n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aff s VAL 15 N -2.00 3.72 0.17 1.61 -7.23 -1.25 -4.82 120.40 110.59 2aff s VAL 15 Ca 0.00 -0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 59.42 2aff s VAL 15 Cb 0.00 -2.56 -0.07 0.00 0.56 0.00 0.00 36.38 34.30 2aff s VAL 15 CO 0.00 0.56 1.07 -0.62 -0.31 0.00 0.00 175.10 175.79 2aff s ASP 16 N -0.29 7.32 0.00 4.85 -1.08 -1.26 -1.68 116.67 124.53 2aff s ASP 16 Ca 0.04 2.03 0.00 0.00 -0.52 0.00 0.00 52.55 54.10 2aff s ASP 16 Cb -0.13 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 2aff s ASP 16 CO 0.02 -0.18 0.00 0.61 0.52 0.00 0.00 175.17 176.15 2aff n GLY 17 N 2.06 2.25 3.78 2.66 0.00 -1.06 -4.97 105.19 109.91 2aff n GLY 17 Ca 0.02 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 2.40 3.78 -0.04 1.61 0.04 -1.26 -4.80 135.00 136.73 2aff s PRO 18 Ca 0.00 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.66 2aff s PRO 18 Cb 0.00 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 2aff s PRO 18 CO 0.00 -0.50 -0.05 -1.01 0.04 0.00 0.00 177.00 175.48 2aff s HIS 19 N -1.69 2.96 -0.35 0.56 3.76 -1.26 -2.22 115.29 117.06 2aff s HIS 19 Ca 0.65 0.03 -0.03 0.00 -0.15 0.00 0.00 55.06 55.56 2aff s HIS 19 Cb -0.24 -1.68 0.07 0.00 1.11 0.00 0.00 32.58 31.84 2aff s HIS 19 CO 0.29 0.38 0.09 0.12 -0.85 0.00 0.00 174.74 174.77 2aff s PHE 20 N -0.92 3.39 0.06 1.40 5.36 0.27 -4.94 117.98 122.59 2aff s PHE 20 Ca 0.15 -2.01 -0.31 0.00 -0.96 0.00 0.00 56.93 53.80 2aff s PHE 20 Cb -0.11 -2.56 -0.06 0.00 -0.34 0.00 0.00 43.02 39.95 2aff s PHE 20 CO 0.05 -0.86 1.23 -1.25 -1.46 0.00 0.00 175.22 172.93 2aff s PRO 21 N 1.23 4.41 -0.49 10.12 0.04 -1.26 -1.96 135.00 147.09 2aff s PRO 21 Ca 0.01 1.80 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 2aff s PRO 21 Cb -0.21 -3.36 0.33 0.00 0.04 0.00 0.00 34.50 31.30 2aff s PRO 21 CO -0.02 -0.30 2.03 1.28 0.04 0.00 0.00 177.00 180.03 2aff n LEU 22 N 4.08 7.09 0.19 -3.56 4.77 -0.75 -4.47 117.00 124.34 2aff n LEU 22 Ca 0.09 -3.79 0.13 0.00 -0.03 0.00 0.00 56.01 52.41 2aff n LEU 22 Cb 0.46 -1.02 0.66 0.00 -2.33 0.00 0.00 43.42 41.19 2aff n LEU 22 CO 0.56 1.35 0.90 -1.28 -1.33 0.00 0.00 177.39 177.58 2aff h SER 23 N 1.73 0.00 -3.95 -1.43 0.87 -1.92 -3.43 113.55 105.43 2aff h SER 23 Ca 0.45 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.52 2aff h SER 23 Cb 0.87 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.86 2aff h SER 23 CO 1.18 0.00 0.44 -0.76 -0.53 0.00 0.00 176.83 177.16 2aff s LEU 24 N -4.84 4.16 0.58 2.23 1.43 -1.26 -4.92 118.68 116.05 2aff s LEU 24 Ca -0.01 2.14 0.27 0.00 -1.03 0.00 0.00 54.13 55.50 2aff s LEU 24 Cb 0.08 -4.13 1.65 0.00 0.03 0.00 0.00 46.19 43.82 2aff s LEU 24 CO 0.30 -0.56 2.17 0.77 0.23 0.00 0.00 176.35 179.26 2aff h SER 25 N 2.54 0.00 -3.75 2.29 4.64 -1.92 -3.42 113.55 113.93 2aff h SER 25 Ca -0.48 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.62 2aff h SER 25 Cb 1.22 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.04 2aff h SER 25 CO 0.62 0.00 -0.66 -0.89 -0.87 0.00 0.00 176.83 175.03 2aff s THR 26 N -4.72 -0.00 -0.12 2.95 2.01 -1.26 -1.19 115.64 113.31 2aff s THR 26 Ca -0.05 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.95 2aff s THR 26 Cb 0.16 -0.08 0.03 0.00 0.01 0.00 0.00 72.50 72.61 2aff s THR 26 CO 0.58 0.00 -0.08 0.00 -0.69 0.00 0.00 174.62 174.43 2aff s LEU 28 N 1.70 2.65 -0.06 0.00 2.96 -1.26 -0.18 118.68 124.49 2aff s LEU 28 Ca 0.05 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2aff s LEU 28 Cb -0.13 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2aff s LEU 28 CO -0.08 0.17 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.75 2aff s PHE 29 N 0.29 3.11 -5.00 5.38 0.40 0.24 0.35 117.98 122.75 2aff s PHE 29 Ca -0.11 0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 2aff s PHE 29 Cb -0.16 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.62 2aff s PHE 29 CO 0.06 0.45 0.00 0.41 0.70 0.00 0.00 175.22 176.83 2aff n GLY 30 N 1.99 -0.74 0.09 4.36 0.00 -0.93 -2.25 105.19 107.70 2aff n GLY 30 Ca -0.18 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 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 2.55 0.10 -6.41 1.61 3.08 -1.30 -2.96 114.38 111.05 2aff h ARG 31 Ca 0.00 -0.17 -0.59 0.00 0.07 0.00 0.00 59.98 59.29 2aff h ARG 31 Cb 0.00 0.06 0.17 0.00 0.08 0.00 0.00 29.97 30.29 2aff h ARG 31 CO 0.00 0.87 -0.54 0.41 -1.07 0.00 0.00 179.97 179.64 2aff n GLY 32 N 1.57 -1.83 0.29 0.04 0.00 -0.97 -4.85 105.19 99.44 2aff n GLY 32 Ca -0.14 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 0.19 1.25 0.00 -0.61 6.09 -1.91 -2.06 117.51 120.46 2aff h ILE 33 Ca -0.45 -0.91 0.00 0.00 -1.37 0.00 0.00 64.86 62.13 2aff h ILE 33 Cb 1.41 0.67 0.00 0.00 0.47 0.00 0.00 36.82 39.37 2aff h ILE 33 CO 0.46 0.34 0.04 -0.33 -3.07 0.00 0.00 178.15 175.59 2aff h GLU 34 N 0.89 0.00 -6.27 2.19 5.08 -1.96 -3.42 114.58 111.09 2aff h GLU 34 Ca 0.19 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.97 2aff h GLU 34 Cb 0.35 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.62 2aff h GLU 34 CO 0.00 0.00 1.19 0.00 -1.00 0.00 0.00 179.01 179.21 2aff h ASP 36 N 10.30 0.00 -3.18 0.00 3.32 -0.36 -3.34 116.42 123.15 2aff h ASP 36 Ca -0.48 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 55.97 2aff h ASP 36 Cb 1.26 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.45 2aff h ASP 36 CO 0.95 0.00 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.01 2aff s ILE 37 N -5.02 1.60 -0.15 0.35 1.01 -0.33 -4.96 121.20 113.70 2aff s ILE 37 Ca -0.05 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 37 Cb 0.19 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 2aff s ILE 37 CO 0.71 0.40 0.06 -0.13 0.00 0.00 0.00 174.94 175.97 2aff s ARG 38 N 1.46 3.63 -0.11 2.79 0.52 -1.26 -2.20 118.95 123.78 2aff s ARG 38 Ca 0.04 -0.32 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 2aff s ARG 38 Cb -0.14 -3.10 -0.00 0.00 0.52 0.00 0.00 34.95 32.23 2aff s ARG 38 CO -0.10 0.48 -0.20 0.42 0.02 0.00 0.00 175.30 175.92 2aff s ILE 39 N -0.22 2.40 -0.00 1.52 1.01 -1.12 -4.99 121.20 119.81 2aff s ILE 39 Ca 0.08 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2aff s ILE 39 Cb -0.12 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.39 2aff s ILE 39 CO 0.01 0.55 0.84 0.00 0.00 0.00 0.00 174.94 176.34 2aff n GLN 40 N 3.56 0.84 -3.67 2.79 6.02 -1.26 -4.62 117.38 121.04 2aff n GLN 40 Ca -0.19 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.44 2aff n GLN 40 Cb 0.53 -1.08 -0.09 0.00 1.02 0.00 0.00 30.24 30.62 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 4.16 0.18 1.08 1.43 -1.26 -4.98 118.68 119.29 2aff s LEU 41 Ca 0.00 0.19 0.22 0.00 -1.03 0.00 0.00 54.13 53.50 2aff s LEU 41 Cb 0.00 -2.12 0.88 0.00 0.03 0.00 0.00 46.19 44.98 2aff s LEU 41 CO 0.00 0.11 1.66 -0.81 0.23 0.00 0.00 176.35 177.54 2aff n PRO 42 N 3.97 0.14 -0.16 1.29 -0.04 -1.26 -2.39 135.00 136.56 2aff n PRO 42 Ca -0.15 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 2aff n PRO 42 Cb 0.52 -1.76 0.27 0.00 -0.04 0.00 0.00 33.50 32.49 2aff n PRO 42 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2aff n VAL 43 N -2.02 0.41 -3.18 0.52 3.14 -1.26 -4.90 118.33 111.04 2aff n VAL 43 Ca 0.03 -0.61 -0.39 0.00 -2.96 0.00 0.00 64.34 60.41 2aff n VAL 43 Cb 0.23 0.75 -0.05 0.00 -1.06 0.00 0.00 33.84 33.71 2aff n VAL 43 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2aff s VAL 44 N -1.59 4.96 0.90 1.55 1.01 -1.00 -4.84 120.40 121.38 2aff s VAL 44 Ca 0.36 1.26 -0.11 0.00 0.00 0.00 0.00 61.98 63.49 2aff s VAL 44 Cb 0.21 -3.94 0.13 0.00 0.00 0.00 0.00 36.38 32.78 2aff s VAL 44 CO 0.29 0.37 1.10 -0.44 0.00 0.00 0.00 175.10 176.43 2aff s SER 45 N 0.09 3.31 0.21 3.32 0.01 -1.26 -4.55 113.70 114.83 2aff s SER 45 Ca 0.32 1.78 -0.10 0.00 1.31 0.00 0.00 55.95 59.26 2aff s SER 45 Cb -0.18 -2.40 0.16 0.00 0.21 0.00 0.00 66.02 63.81 2aff s SER 45 CO 0.17 -2.78 1.86 0.11 0.41 0.00 0.00 173.24 173.00 2aff h LYS 46 N -1.65 1.03 0.00 12.44 1.57 -1.93 -2.51 116.57 125.51 2aff h LYS 46 Ca -0.47 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2aff h LYS 46 Cb 1.27 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2aff h LYS 46 CO 0.49 0.71 -1.14 1.04 -0.57 0.00 0.00 179.45 179.99 2aff n GLN 47 N -4.51 1.50 0.00 3.15 1.13 -1.26 -2.30 117.38 115.09 2aff n GLN 47 Ca 0.07 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 2aff n GLN 47 Cb 0.04 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.21 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 -1.65 0.00 -4.33 1.08 -0.00 -1.13 -4.01 115.22 105.17 2aff n HIS 48 Ca -0.00 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.98 2aff n HIS 48 Cb 0.25 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.97 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 0.14 1.83 -0.11 0.00 2.20 -0.79 0.79 119.74 123.80 2aff s LYS 50 Ca -0.02 -0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 55.13 2aff s LYS 50 Cb -0.07 -1.51 -0.02 0.00 -1.51 0.00 0.00 37.83 34.72 2aff s LYS 50 CO 0.00 0.03 -0.10 0.42 -0.36 0.00 0.00 175.35 175.34 2aff s ILE 51 N 0.68 3.38 -0.17 5.43 1.01 0.75 0.02 121.20 132.30 2aff s ILE 51 Ca -0.14 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 2aff s ILE 51 Cb -0.16 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 2aff s ILE 51 CO 0.04 0.54 -0.13 -0.70 0.00 0.00 0.00 174.94 174.68 2aff s GLU 52 N 0.01 3.24 -0.31 2.79 2.12 -0.62 -1.88 118.70 124.05 2aff s GLU 52 Ca -0.02 -0.72 -0.15 0.00 0.36 0.00 0.00 54.97 54.43 2aff s GLU 52 Cb -0.14 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.52 2aff s GLU 52 CO 0.04 -0.04 0.37 0.42 -0.54 0.00 0.00 175.26 175.51 2aff s ILE 53 N 0.97 5.16 -0.10 -3.70 -1.09 -0.33 -2.15 121.20 119.96 2aff s ILE 53 Ca -0.02 0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.73 2aff s ILE 53 Cb -0.15 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 36.95 2aff s ILE 53 CO -0.02 0.02 -0.16 -1.00 -1.23 0.00 0.00 174.94 172.56 2aff s HIS 54 N 2.06 2.72 0.55 3.97 3.76 0.85 -4.91 115.29 124.30 2aff s HIS 54 Ca 0.14 -0.60 0.46 0.00 -0.15 0.00 0.00 55.06 54.90 2aff s HIS 54 Cb -0.16 -1.76 1.68 0.00 1.11 0.00 0.00 32.58 33.45 2aff s HIS 54 CO 0.11 -0.16 1.64 0.93 -0.85 0.00 0.00 174.74 176.42 2aff h GLU 55 N 6.37 0.00 0.11 1.40 5.08 -2.00 0.44 114.58 125.97 2aff h GLU 55 Ca -0.30 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2aff h GLU 55 Cb 1.20 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2aff h GLU 55 CO 0.53 0.00 -0.05 0.37 -1.00 0.00 0.00 179.01 178.86 2aff h GLN 56 N 0.00 -0.14 0.00 2.33 4.15 -2.01 -3.49 115.11 115.95 2aff h GLN 56 Ca 0.83 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 60.15 2aff h GLN 56 Cb 3.31 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 31.01 2aff h GLN 56 CO -0.02 -0.09 -0.03 0.39 -1.93 0.00 0.00 178.83 177.15 2aff n GLU 57 N -2.55 0.40 -4.11 1.69 -0.58 0.15 -5.15 120.64 110.49 2aff n GLU 57 Ca -0.02 -1.34 -0.34 0.00 -0.42 0.00 0.00 57.16 55.04 2aff n GLU 57 Cb 0.06 1.36 -0.14 0.00 -0.57 0.00 0.00 31.44 32.14 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 -2.03 2.72 -0.10 0.62 0.00 -1.26 -0.10 121.76 121.60 2aff s ALA 58 Ca 0.13 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.01 2aff s ALA 58 Cb -0.01 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 2aff s ALA 58 CO 0.09 -0.27 -0.19 0.42 0.00 0.00 0.00 175.76 175.81 2aff s ILE 59 N 1.21 2.53 -0.19 0.00 1.01 -0.92 0.32 121.20 125.17 2aff s ILE 59 Ca 0.02 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 2aff s ILE 59 Cb -0.14 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 2aff s ILE 59 CO -0.03 0.55 0.18 -0.22 0.00 0.00 0.00 174.94 175.43 2aff s LEU 60 N 0.10 4.22 -0.10 2.97 2.96 0.13 -1.60 118.68 127.37 2aff s LEU 60 Ca -0.09 0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 2aff s LEU 60 Cb -0.15 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 2aff s LEU 60 CO 0.06 0.16 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.18 2aff s HIS 61 N 0.38 2.96 -0.49 5.38 3.76 0.10 -1.54 115.29 125.84 2aff s HIS 61 Ca 0.11 -0.16 -0.18 0.00 -0.15 0.00 0.00 55.06 54.67 2aff s HIS 61 Cb -0.12 -1.81 0.06 0.00 1.11 0.00 0.00 32.58 31.82 2aff s HIS 61 CO -0.00 0.15 0.57 1.21 -0.85 0.00 0.00 174.74 175.82 2aff s ASN 62 N -0.28 6.21 0.00 1.40 3.84 -1.26 -1.88 114.94 122.97 2aff s ASN 62 Ca 0.04 -0.94 0.22 0.00 0.21 0.00 0.00 52.86 52.39 2aff s ASN 62 Cb -0.13 -2.27 -0.10 0.00 -0.55 0.00 0.00 41.25 38.21 2aff s ASN 62 CO 0.02 -0.82 0.99 0.49 -2.79 0.00 0.00 177.10 175.00 2aff n PHE 63 N 5.97 0.00 -2.20 0.43 3.01 -0.67 -4.83 117.46 119.16 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 0.45 -0.04 -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 -1.12 1.01 0.00 0.00 176.76 176.65 2aff s SER 64 N -2.98 5.59 0.23 4.37 0.01 -0.12 -4.63 113.70 116.18 2aff s SER 64 Ca 0.09 0.15 0.21 0.00 1.31 0.00 0.00 55.95 57.70 2aff s SER 64 Cb 0.16 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.90 2aff s SER 64 CO 0.83 -2.17 1.15 0.77 0.41 0.00 0.00 173.24 174.24 2aff h SER 65 N 13.29 0.00 0.09 2.44 4.64 -1.90 -3.21 113.55 128.89 2aff h SER 65 Ca -0.27 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.79 2aff h SER 65 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2aff h SER 65 CO 1.23 0.15 -1.35 0.74 -0.87 0.00 0.00 176.83 176.73 2aff h THR 66 N 0.00 1.02 -2.96 2.95 2.02 -1.99 -3.43 112.91 110.51 2aff h THR 66 Ca -0.03 -2.35 -0.60 0.00 0.77 0.00 0.00 66.41 64.20 2aff h THR 66 Cb 1.15 2.65 -0.40 0.00 -1.74 0.00 0.00 68.15 69.80 2aff h THR 66 CO 0.01 0.65 -0.76 0.20 0.37 0.00 0.00 175.52 175.99 2aff s ASN 67 N -6.95 3.64 0.42 4.18 0.01 -1.26 -5.12 114.94 109.86 2aff s ASN 67 Ca -0.22 -2.23 -0.25 0.00 -0.71 0.00 0.00 52.86 49.45 2aff s ASN 67 Cb 0.04 -0.86 -0.10 0.00 0.41 0.00 0.00 41.25 40.75 2aff s ASN 67 CO 0.73 -0.32 1.24 -2.65 -1.51 0.00 0.00 177.10 174.59 2aff n PRO 68 N 4.06 1.85 -2.30 -0.60 -0.02 -1.21 -4.66 135.00 132.12 2aff n PRO 68 Ca 0.06 0.66 -0.33 0.00 -2.02 0.00 0.00 63.50 61.87 2aff n PRO 68 Cb 0.37 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.21 3.96 -0.03 3.45 2.01 -1.26 -4.87 115.64 117.69 2aff s THR 69 Ca 0.61 1.03 0.05 0.00 0.31 0.00 0.00 61.69 63.69 2aff s THR 69 Cb -0.51 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 68.50 2aff s THR 69 CO 0.58 -0.45 -0.18 -1.10 -0.69 0.00 0.00 174.62 172.78 2aff s GLN 70 N -3.77 2.33 -0.04 4.92 -0.21 -0.84 -1.16 119.66 120.89 2aff s GLN 70 Ca 0.64 -0.80 0.03 0.00 0.02 0.00 0.00 55.36 55.25 2aff s GLN 70 Cb -0.15 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.61 2aff s GLN 70 CO 0.30 0.59 -0.13 0.08 -2.12 0.00 0.00 175.29 174.01 2aff s VAL 71 N -0.72 1.09 -1.31 1.09 1.01 0.51 0.18 120.40 122.24 2aff s VAL 71 Ca 0.11 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 2aff s VAL 71 Cb -0.10 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.35 2aff s VAL 71 CO 0.01 0.33 0.34 0.59 0.00 0.00 0.00 175.10 176.36 2aff n ASN 72 N 3.34 -4.49 -1.04 3.32 3.02 -0.36 0.37 115.26 119.40 2aff n ASN 72 Ca -0.19 -0.16 -0.10 0.00 -0.03 0.00 0.00 54.58 54.10 2aff n ASN 72 Cb 0.53 -3.72 -0.01 0.00 -0.61 0.00 0.00 39.78 35.97 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 -1.14 0.13 2.93 7.41 0.00 -1.26 -5.02 105.19 108.24 2aff n GLY 73 Ca -0.09 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2aff n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aff s SER 74 N -2.61 -0.06 0.26 1.61 0.15 0.16 -5.10 113.70 108.11 2aff s SER 74 Ca 0.00 0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.47 2aff s SER 74 Cb 0.00 0.12 -0.10 0.00 -1.71 0.00 0.00 66.02 64.33 2aff s SER 74 CO 0.00 -0.02 1.37 -0.69 1.20 0.00 0.00 173.24 175.10 2aff s VAL 75 N 0.02 2.79 -0.87 4.45 1.01 -1.26 0.19 120.40 126.73 2aff s VAL 75 Ca -0.00 0.69 -0.00 0.00 0.00 0.00 0.00 61.98 62.67 2aff s VAL 75 Cb -0.00 -3.44 0.22 0.00 0.00 0.00 0.00 36.38 33.15 2aff s VAL 75 CO 0.00 0.13 0.78 2.30 0.00 0.00 0.00 175.10 178.30 2aff n ILE 76 N 1.93 2.91 0.26 2.22 -5.35 -0.31 -4.85 119.36 116.18 2aff n ILE 76 Ca 0.05 -5.12 0.11 0.00 -0.27 0.00 0.00 62.75 57.51 2aff n ILE 76 Cb 0.41 -2.33 0.72 0.00 -1.74 0.00 0.00 39.64 36.70 2aff n ILE 76 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2aff h ASP 77 N 5.79 0.00 -2.08 7.28 3.32 -1.94 -3.43 116.42 125.36 2aff h ASP 77 Ca 0.17 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.64 2aff h ASP 77 Cb 0.79 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.23 2aff h ASP 77 CO 0.86 0.08 -0.65 -1.83 -1.72 0.00 0.00 179.24 175.98 2aff s GLU 78 N -4.57 2.13 0.51 3.56 -1.05 -1.26 -4.86 118.70 113.15 2aff s GLU 78 Ca -0.04 -1.60 -0.22 0.00 -0.15 0.00 0.00 54.97 52.96 2aff s GLU 78 Cb 0.15 -2.02 -0.06 0.00 -0.44 0.00 0.00 34.13 31.76 2aff s GLU 78 CO 0.61 0.26 1.28 -1.25 0.95 0.00 0.00 175.26 177.11 2aff s PRO 79 N -3.67 3.39 0.01 -4.83 0.04 -1.26 -4.73 135.00 123.94 2aff s PRO 79 Ca 0.33 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.42 2aff s PRO 79 Cb -0.04 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 2aff s PRO 79 CO 0.19 -0.93 -0.04 0.14 0.04 0.00 0.00 177.00 176.40 2aff s VAL 80 N -1.41 0.26 0.03 -0.36 -7.23 -0.59 -4.98 120.40 106.13 2aff s VAL 80 Ca 0.68 -0.38 -0.30 0.00 -1.81 0.00 0.00 61.98 60.17 2aff s VAL 80 Cb -0.35 -0.27 -0.06 0.00 0.56 0.00 0.00 36.38 36.26 2aff s VAL 80 CO 0.42 -0.08 1.30 -0.60 -0.31 0.00 0.00 175.10 175.83 2aff s ARG 81 N -0.50 4.35 0.23 4.82 3.52 -1.26 -0.69 118.95 129.41 2aff s ARG 81 Ca -0.03 1.87 -0.30 0.00 -0.13 0.00 0.00 55.73 57.14 2aff s ARG 81 Cb -0.04 -3.44 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 2aff s ARG 81 CO -0.00 -0.43 0.99 -0.51 -0.81 0.00 0.00 175.30 174.53 2aff s LEU 82 N 1.73 4.60 0.04 -0.88 1.43 0.15 -4.90 118.68 120.85 2aff s LEU 82 Ca 0.61 2.01 0.02 0.00 -1.03 0.00 0.00 54.13 55.74 2aff s LEU 82 Cb -0.31 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 2aff s LEU 82 CO 0.27 0.05 -0.08 -0.75 0.23 0.00 0.00 176.35 176.07 2aff s LYS 83 N -1.07 0.54 -0.26 1.70 2.20 -1.26 -4.55 119.74 117.05 2aff s LYS 83 Ca 0.43 -0.77 -0.34 0.00 -0.36 0.00 0.00 55.97 54.93 2aff s LYS 83 Cb -0.27 -0.32 -0.11 0.00 -1.51 0.00 0.00 37.83 35.62 2aff s LYS 83 CO 0.34 0.06 2.09 1.58 -0.36 0.00 0.00 175.35 179.05 2aff n HIS 84 N 1.44 1.88 0.00 4.03 -0.00 -1.26 0.17 115.22 121.48 2aff n HIS 84 Ca -0.23 0.15 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 2aff n HIS 84 Cb 0.55 -2.59 0.00 0.00 -0.00 0.00 0.00 29.99 27.94 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 5.72 1.08 3.70 1.57 0.00 -0.62 -4.99 105.19 111.65 2aff n GLY 85 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.97 7.03 -0.13 1.61 -1.08 0.13 -4.82 116.67 117.44 2aff s ASP 86 Ca 0.00 1.94 -0.03 0.00 -0.52 0.00 0.00 52.55 53.94 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 -0.56 -0.03 0.54 0.52 0.00 0.00 175.17 175.64 2aff s VAL 87 N 1.75 3.95 -0.18 1.11 0.11 -1.26 -1.66 120.40 124.22 2aff s VAL 87 Ca 0.58 -0.35 -0.11 0.00 -2.93 0.00 0.00 61.98 59.17 2aff s VAL 87 Cb -0.28 -2.71 -0.05 0.00 -1.53 0.00 0.00 36.38 31.82 2aff s VAL 87 CO 0.26 0.52 0.19 -0.63 -3.33 0.00 0.00 175.10 172.11 2aff s ILE 88 N 0.03 5.38 -0.14 7.04 1.01 0.18 -1.23 121.20 133.48 2aff s ILE 88 Ca 0.01 0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.99 2aff s ILE 88 Cb -0.13 -3.52 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 2aff s ILE 88 CO 0.03 0.43 -0.18 -0.89 0.00 0.00 0.00 174.94 174.32 2aff s THR 89 N 0.35 2.49 -0.10 2.92 2.01 0.47 0.52 115.64 124.31 2aff s THR 89 Ca 0.11 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.29 2aff s THR 89 Cb -0.12 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 2aff s THR 89 CO 0.00 0.53 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.66 2aff s ILE 90 N 0.62 2.67 -0.28 1.82 1.01 1.01 -1.98 121.20 126.07 2aff s ILE 90 Ca -0.10 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 2aff s ILE 90 Cb -0.16 -2.06 -0.06 0.00 0.01 0.00 0.00 42.46 40.18 2aff s ILE 90 CO 0.03 0.55 0.75 -0.38 0.00 0.00 0.00 174.94 175.89 2aff n ILE 91 N 3.19 0.00 0.00 2.92 5.41 -1.26 0.35 119.36 129.97 2aff n ILE 91 Ca -0.18 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2aff n ILE 91 Cb 0.53 -0.13 0.00 0.00 -0.71 0.00 0.00 39.64 39.33 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2aff n ASP 92 N 2.84 0.00 -4.12 4.38 -0.08 -1.26 -5.01 116.55 113.31 2aff n ASP 92 Ca 0.19 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.28 2aff n ASP 92 Cb 0.01 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.34 2aff n ASP 92 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2aff s ARG 93 N -0.41 0.84 0.03 -0.67 0.52 1.09 -4.50 118.95 115.86 2aff s ARG 93 Ca 0.00 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 54.47 2aff s ARG 93 Cb 0.00 -0.82 -0.03 0.00 0.52 0.00 0.00 34.95 34.63 2aff s ARG 93 CO 0.00 0.20 -0.01 -1.54 0.02 0.00 0.00 175.30 173.97 2aff s SER 94 N -1.15 0.32 -0.08 0.23 1.04 -1.26 0.33 113.70 113.14 2aff s SER 94 Ca -0.00 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.76 2aff s SER 94 Cb -0.08 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.22 2aff s SER 94 CO 0.01 -0.45 -0.12 -0.36 0.98 0.00 0.00 173.24 173.30 2aff s PHE 95 N -2.57 1.54 -0.09 5.02 0.40 0.19 -2.28 117.98 120.19 2aff s PHE 95 Ca -0.06 -0.61 -0.14 0.00 -0.60 0.00 0.00 56.93 55.53 2aff s PHE 95 Cb -0.02 -1.14 -0.05 0.00 0.51 0.00 0.00 43.02 42.33 2aff s PHE 95 CO -0.05 -0.32 0.35 1.03 0.70 0.00 0.00 175.22 176.93 2aff s ARG 96 N 0.80 4.04 -0.20 0.44 0.52 -1.06 -0.64 118.95 122.84 2aff s ARG 96 Ca -0.12 0.25 -0.15 0.00 -0.52 0.00 0.00 55.73 55.19 2aff s ARG 96 Cb -0.15 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 2aff s ARG 96 CO 0.02 0.46 0.37 -0.47 0.02 0.00 0.00 175.30 175.70 2aff s TYR 97 N -0.28 3.38 -0.05 -0.53 5.04 -0.66 -2.40 117.35 121.84 2aff s TYR 97 Ca 0.21 0.58 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 2aff s TYR 97 Cb -0.15 -2.48 0.02 0.00 0.35 0.00 0.00 41.96 39.71 2aff s TYR 97 CO 0.09 0.03 -0.03 -1.21 -1.34 0.00 0.00 175.55 173.09 2aff s GLU 98 N 1.18 0.73 0.55 4.97 8.01 -0.57 -1.59 118.70 131.97 2aff s GLU 98 Ca 0.18 -0.03 -0.03 0.00 0.01 0.00 0.00 54.97 55.10 2aff s GLU 98 Cb -0.14 -0.85 0.01 0.00 -4.31 0.00 0.00 34.13 28.84 2aff s GLU 98 CO 0.07 -0.15 0.81 -0.80 0.01 0.00 0.00 175.26 175.21 2aff s ASN 99 N 1.22 5.54 0.00 -0.19 0.01 -1.26 -1.26 114.94 118.99 2aff s ASN 99 Ca -0.06 0.42 0.05 0.00 -0.71 0.00 0.00 52.86 52.56 2aff s ASN 99 Cb -0.14 -1.45 0.29 0.00 0.41 0.00 0.00 41.25 40.36 2aff s ASN 99 CO -0.02 -1.01 0.76 1.21 -1.51 0.00 0.00 177.10 176.54