#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 1.49 -3.10 3.45 -1.04 -1.26 -4.97 114.28 108.85 2aff n THR 4 Ca 0.00 -0.05 -0.39 0.00 -2.04 0.00 0.00 64.05 61.57 2aff n THR 4 Cb 0.00 -2.16 -0.06 0.00 -1.82 0.00 0.00 70.33 66.29 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 -2.74 4.41 -0.05 -2.82 0.52 -1.20 -3.80 118.95 113.25 2aff s ARG 5 Ca -0.32 0.94 0.02 0.00 -0.52 0.00 0.00 55.73 55.85 2aff s ARG 5 Cb 0.08 -3.30 0.01 0.00 0.52 0.00 0.00 34.95 32.25 2aff s ARG 5 CO 0.44 0.46 -0.12 0.50 0.02 0.00 0.00 175.30 176.60 2aff s ARG 6 N -0.60 1.54 -0.14 3.54 3.52 0.69 -2.24 118.95 125.26 2aff s ARG 6 Ca 0.34 -0.40 -0.03 0.00 -0.13 0.00 0.00 55.73 55.51 2aff s ARG 6 Cb -0.20 -1.31 -0.03 0.00 -1.56 0.00 0.00 34.95 31.85 2aff s ARG 6 CO 0.21 0.06 -0.05 -1.17 -0.81 0.00 0.00 175.30 173.55 2aff s LEU 7 N 0.53 3.20 -0.12 -0.88 2.96 -0.75 -1.17 118.68 122.45 2aff s LEU 7 Ca -0.11 -0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2aff s LEU 7 Cb -0.14 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 2aff s LEU 7 CO 0.03 0.20 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.45 2aff s VAL 8 N 0.15 3.19 0.34 1.68 1.01 -0.69 0.56 120.40 126.65 2aff s VAL 8 Ca -0.02 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.09 2aff s VAL 8 Cb -0.14 -2.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.80 2aff s VAL 8 CO 0.03 0.53 0.94 -0.89 0.00 0.00 0.00 175.10 175.71 2aff s THR 9 N 0.22 4.26 -0.09 3.92 2.01 -0.88 -1.12 115.64 123.95 2aff s THR 9 Ca -0.07 1.74 0.01 0.00 0.31 0.00 0.00 61.69 63.68 2aff s THR 9 Cb -0.15 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 2aff s THR 9 CO 0.05 0.05 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.29 2aff s ILE 10 N -1.73 3.28 0.31 1.82 -1.09 -0.30 -2.45 121.20 121.04 2aff s ILE 10 Ca 0.52 -0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 58.22 2aff s ILE 10 Cb -0.17 -2.34 -0.07 0.00 -1.58 0.00 0.00 42.46 38.30 2aff s ILE 10 CO 0.21 0.57 0.66 -0.54 -1.23 0.00 0.00 174.94 174.61 2aff s LYS 11 N -0.34 3.84 0.64 2.79 1.02 0.84 -4.29 119.74 124.24 2aff s LYS 11 Ca 0.04 0.41 0.37 0.00 0.02 0.00 0.00 55.97 56.81 2aff s LYS 11 Cb -0.13 -2.52 2.06 0.00 -0.52 0.00 0.00 37.83 36.73 2aff s LYS 11 CO 0.02 0.17 2.23 0.00 -0.92 0.00 0.00 175.35 176.85 2aff h ARG 12 N 2.03 0.00 0.00 1.68 3.08 -1.88 0.83 114.38 120.13 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 0.66 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.43 2aff n SER 13 N -3.29 0.15 -0.05 7.04 3.41 -1.26 -4.88 113.62 114.74 2aff n SER 13 Ca -0.02 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2aff n SER 13 Cb 0.18 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 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 1.19 1.08 3.29 5.00 0.00 0.29 -5.08 105.19 110.96 2aff n GLY 14 Ca 0.06 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.10 2.34 0.21 1.61 1.01 -1.22 -4.86 120.40 117.39 2aff s VAL 15 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 2aff s VAL 15 Cb 0.00 -1.90 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 2aff s VAL 15 CO 0.00 0.56 1.08 -1.81 0.00 0.00 0.00 175.10 174.92 2aff s ASP 16 N 0.08 7.32 0.00 3.32 1.01 -1.26 -0.12 116.67 127.02 2aff s ASP 16 Ca -0.10 2.12 0.00 0.00 0.71 0.00 0.00 52.55 55.28 2aff s ASP 16 Cb -0.16 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.16 2aff s ASP 16 CO 0.06 -0.15 0.00 0.61 0.21 0.00 0.00 175.17 175.90 2aff n GLY 17 N 1.73 2.90 3.78 0.21 0.00 -1.02 -4.93 105.19 107.86 2aff n GLY 17 Ca 0.01 -0.28 -0.36 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 2.66 3.91 0.18 1.61 0.04 -1.26 -4.77 135.00 137.37 2aff s PRO 18 Ca 0.00 1.61 0.07 0.00 0.04 0.00 0.00 61.00 62.72 2aff s PRO 18 Cb 0.00 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 2aff s PRO 18 CO 0.00 -0.38 0.05 -3.38 0.04 0.00 0.00 177.00 173.32 2aff s HIS 19 N -1.66 2.94 -0.28 0.56 -3.43 -1.26 -2.08 115.29 110.09 2aff s HIS 19 Ca 0.62 -0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.78 2aff s HIS 19 Cb -0.24 -1.41 0.08 0.00 -1.43 0.00 0.00 32.58 29.58 2aff s HIS 19 CO 0.30 0.52 0.03 0.12 -2.00 0.00 0.00 174.74 173.71 2aff s PHE 20 N -1.78 2.25 0.16 0.38 5.36 0.19 -4.96 117.98 119.58 2aff s PHE 20 Ca 0.29 -1.89 -0.30 0.00 -0.96 0.00 0.00 56.93 54.07 2aff s PHE 20 Cb -0.09 -1.82 -0.07 0.00 -0.34 0.00 0.00 43.02 40.69 2aff s PHE 20 CO 0.20 -0.83 1.14 -1.25 -1.46 0.00 0.00 175.22 173.02 2aff s PRO 21 N 1.44 4.54 -1.37 10.12 0.04 -1.26 -1.81 135.00 146.69 2aff s PRO 21 Ca 0.04 1.77 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 2aff s PRO 21 Cb -0.18 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 31.14 2aff s PRO 21 CO -0.14 -0.02 2.58 1.28 0.04 0.00 0.00 177.00 180.74 2aff n LEU 22 N 2.62 8.19 0.07 -3.56 4.77 -0.95 -4.57 117.00 123.57 2aff n LEU 22 Ca 0.04 -4.70 0.00 0.00 -0.03 0.00 0.00 56.01 51.32 2aff n LEU 22 Cb 0.46 -1.41 0.31 0.00 -2.33 0.00 0.00 43.42 40.45 2aff n LEU 22 CO 0.55 2.06 0.84 0.77 -1.33 0.00 0.00 177.39 180.27 2aff h SER 23 N 4.65 0.33 -3.85 -1.43 4.64 -1.92 -3.43 113.55 112.54 2aff h SER 23 Ca 0.74 -0.08 -0.49 0.00 -0.47 0.00 0.00 61.79 61.49 2aff h SER 23 Cb 0.32 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2aff h SER 23 CO 1.53 0.52 0.41 -0.76 -0.87 0.00 0.00 176.83 177.67 2aff s LEU 24 N -8.74 4.41 0.46 5.97 1.43 -1.26 -4.93 118.68 116.02 2aff s LEU 24 Ca -0.06 2.08 0.32 0.00 -1.03 0.00 0.00 54.13 55.44 2aff s LEU 24 Cb 0.15 -3.85 1.52 0.00 0.03 0.00 0.00 46.19 44.04 2aff s LEU 24 CO 0.75 -0.18 1.96 0.77 0.23 0.00 0.00 176.35 179.88 2aff h SER 25 N 3.38 0.00 -3.80 2.29 4.64 -1.93 -3.42 113.55 114.72 2aff h SER 25 Ca -0.47 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.50 2aff h SER 25 Cb 1.21 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 63.00 2aff h SER 25 CO 0.65 0.00 -0.76 -0.89 -0.87 0.00 0.00 176.83 174.96 2aff s THR 26 N -3.69 0.47 -0.13 2.95 2.01 -1.26 -0.79 115.64 115.20 2aff s THR 26 Ca -0.01 -0.20 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 2aff s THR 26 Cb 0.09 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 72.20 2aff s THR 26 CO 0.40 0.16 -0.09 0.00 -0.69 0.00 0.00 174.62 174.39 2aff s LEU 28 N 1.64 2.38 -0.10 0.00 2.96 -1.26 -0.33 118.68 123.98 2aff s LEU 28 Ca 0.05 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 2aff s LEU 28 Cb -0.13 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2aff s LEU 28 CO -0.09 0.13 0.02 -0.36 -1.32 0.00 0.00 176.35 174.73 2aff s PHE 29 N 0.54 3.20 -4.80 5.38 0.40 0.99 -0.50 117.98 123.19 2aff s PHE 29 Ca -0.11 0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 2aff s PHE 29 Cb -0.16 -1.84 0.00 0.00 0.51 0.00 0.00 43.02 41.53 2aff s PHE 29 CO 0.04 0.44 0.00 0.41 0.70 0.00 0.00 175.22 176.81 2aff n GLY 30 N 2.32 -0.90 0.10 4.36 0.00 -0.94 -2.47 105.19 107.66 2aff n GLY 30 Ca -0.19 -1.15 -0.01 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 0.00 -6.87 1.61 3.08 -1.11 -2.87 114.38 108.21 2aff h ARG 31 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2aff h ARG 31 Cb 0.00 0.00 0.16 0.00 0.08 0.00 0.00 29.97 30.21 2aff h ARG 31 CO 0.00 0.44 0.18 0.41 -1.07 0.00 0.00 179.97 179.93 2aff n GLY 32 N 1.37 -0.19 0.20 0.04 0.00 -1.03 -4.92 105.19 100.67 2aff n GLY 32 Ca -0.07 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 0.49 1.31 -0.01 -0.61 6.09 -1.92 -2.53 117.51 120.34 2aff h ILE 33 Ca -0.49 -1.51 0.00 0.00 -1.37 0.00 0.00 64.86 61.49 2aff h ILE 33 Cb 1.36 1.68 -0.00 0.00 0.47 0.00 0.00 36.82 40.33 2aff h ILE 33 CO 0.51 0.48 0.26 1.05 -3.07 0.00 0.00 178.15 177.38 2aff h GLU 34 N 0.39 0.00 -6.58 2.19 4.11 -1.97 -3.41 114.58 109.31 2aff h GLU 34 Ca 0.03 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.94 2aff h GLU 34 Cb 0.90 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.20 2aff h GLU 34 CO 0.08 0.00 1.01 0.00 0.07 0.00 0.00 179.01 180.17 2aff h ASP 36 N 7.46 0.31 -3.31 0.00 3.32 -1.04 -3.40 116.42 119.78 2aff h ASP 36 Ca -0.44 -0.03 -0.53 0.00 0.02 0.00 0.00 57.03 56.05 2aff h ASP 36 Cb 1.21 -0.08 -0.35 0.00 0.22 0.00 0.00 39.33 40.33 2aff h ASP 36 CO 0.94 0.32 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.34 2aff s ILE 37 N -5.11 1.14 -0.10 0.35 1.01 -0.68 -4.96 121.20 112.84 2aff s ILE 37 Ca -0.07 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 2aff s ILE 37 Cb 0.16 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 2aff s ILE 37 CO 0.73 0.37 0.01 -0.13 0.00 0.00 0.00 174.94 175.91 2aff s ARG 38 N 1.11 3.15 -0.13 2.79 0.52 -1.26 -2.21 118.95 122.93 2aff s ARG 38 Ca -0.06 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 2aff s ARG 38 Cb -0.14 -2.86 -0.00 0.00 0.52 0.00 0.00 34.95 32.47 2aff s ARG 38 CO -0.02 0.63 -0.19 0.42 0.02 0.00 0.00 175.30 176.16 2aff s ILE 39 N -0.66 2.42 0.00 1.52 1.01 -1.08 -4.96 121.20 119.45 2aff s ILE 39 Ca 0.11 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2aff s ILE 39 Cb -0.12 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.37 2aff s ILE 39 CO 0.02 0.54 0.82 0.00 0.00 0.00 0.00 174.94 176.32 2aff n GLN 40 N 3.79 0.64 -3.53 2.79 6.02 -1.26 -4.69 117.38 121.14 2aff n GLN 40 Ca -0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.42 2aff n GLN 40 Cb 0.52 -1.18 -0.10 0.00 1.02 0.00 0.00 30.24 30.50 2aff n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2aff s LEU 41 N 0.00 4.05 0.00 1.08 1.43 -1.26 -4.96 118.68 119.02 2aff s LEU 41 Ca 0.00 0.12 0.19 0.00 -1.03 0.00 0.00 54.13 53.41 2aff s LEU 41 Cb 0.00 -2.23 0.84 0.00 0.03 0.00 0.00 46.19 44.84 2aff s LEU 41 CO 0.00 -0.07 1.61 -0.81 0.23 0.00 0.00 176.35 177.31 2aff n PRO 42 N 5.00 0.05 -0.35 1.29 -0.04 -1.26 -2.33 135.00 137.35 2aff n PRO 42 Ca -0.12 0.16 0.10 0.00 -0.04 0.00 0.00 63.50 63.60 2aff n PRO 42 Cb 0.52 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.46 1.12 -3.91 0.52 0.24 -1.26 -4.93 118.33 108.65 2aff n VAL 43 Ca 0.05 -1.04 -0.36 0.00 -2.04 0.00 0.00 64.34 60.95 2aff n VAL 43 Cb 0.21 0.45 -0.07 0.00 -1.47 0.00 0.00 33.84 32.96 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 -1.13 5.35 1.06 3.34 1.01 -0.99 -4.86 120.40 124.19 2aff s VAL 44 Ca 0.42 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.41 2aff s VAL 44 Cb 0.23 -3.35 0.22 0.00 0.00 0.00 0.00 36.38 33.48 2aff s VAL 44 CO 0.27 0.59 1.10 -0.44 0.00 0.00 0.00 175.10 176.62 2aff s SER 45 N -0.75 2.08 0.19 3.32 0.01 -1.26 -4.60 113.70 112.69 2aff s SER 45 Ca 0.13 1.00 -0.09 0.00 1.31 0.00 0.00 55.95 58.30 2aff s SER 45 Cb -0.12 -1.55 0.11 0.00 0.21 0.00 0.00 66.02 64.67 2aff s SER 45 CO 0.03 -3.45 1.73 0.11 0.41 0.00 0.00 173.24 172.07 2aff h LYS 46 N -2.11 1.07 0.00 12.44 1.57 -1.93 -2.19 116.57 125.41 2aff h LYS 46 Ca -0.52 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.03 2aff h LYS 46 Cb 1.32 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2aff h LYS 46 CO 0.51 0.92 -1.36 1.04 -0.57 0.00 0.00 179.45 179.99 2aff n GLN 47 N -4.32 0.25 0.00 3.15 6.02 -1.26 -2.45 117.38 118.77 2aff n GLN 47 Ca 0.05 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2aff n GLN 47 Cb 0.22 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.29 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 -1.78 0.00 -4.45 1.08 -0.00 -1.07 -3.72 115.22 105.28 2aff n HIS 48 Ca -0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.50 2aff n HIS 48 Cb 0.21 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.05 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 0.06 1.99 -0.09 0.00 2.20 -0.81 -0.01 119.74 123.08 2aff s LYS 50 Ca -0.01 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 2aff s LYS 50 Cb -0.08 -1.61 -0.02 0.00 -1.51 0.00 0.00 37.83 34.62 2aff s LYS 50 CO 0.00 0.05 -0.15 0.42 -0.36 0.00 0.00 175.35 175.31 2aff s ILE 51 N 0.63 2.90 -0.13 5.43 1.01 0.56 -0.02 121.20 131.58 2aff s ILE 51 Ca -0.15 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2aff s ILE 51 Cb -0.16 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 2aff s ILE 51 CO 0.04 0.55 -0.15 -1.61 0.00 0.00 0.00 174.94 173.78 2aff s GLU 52 N -0.05 3.31 -0.33 2.79 2.02 -0.65 -1.87 118.70 123.91 2aff s GLU 52 Ca -0.03 -0.72 -0.14 0.00 0.02 0.00 0.00 54.97 54.10 2aff s GLU 52 Cb -0.14 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 2aff s GLU 52 CO 0.04 0.15 0.31 0.42 0.02 0.00 0.00 175.26 176.20 2aff s ILE 53 N 0.48 5.22 -0.06 -1.63 -1.09 0.03 -1.95 121.20 122.20 2aff s ILE 53 Ca -0.10 -0.02 0.06 0.00 -2.23 0.00 0.00 60.65 58.36 2aff s ILE 53 Cb -0.16 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 36.95 2aff s ILE 53 CO 0.05 -0.03 -0.24 -1.00 -1.23 0.00 0.00 174.94 172.49 2aff s HIS 54 N 1.90 2.48 0.57 3.97 3.76 0.42 -4.94 115.29 123.46 2aff s HIS 54 Ca 0.10 -0.71 0.44 0.00 -0.15 0.00 0.00 55.06 54.74 2aff s HIS 54 Cb -0.17 -1.62 1.52 0.00 1.11 0.00 0.00 32.58 33.42 2aff s HIS 54 CO 0.11 -0.21 1.50 1.49 -0.85 0.00 0.00 174.74 176.79 2aff h GLU 55 N 6.09 0.00 0.16 1.40 4.57 -2.02 0.51 114.58 125.29 2aff h GLU 55 Ca -0.32 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 2aff h GLU 55 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 2aff h GLU 55 CO 0.48 0.00 -0.08 0.37 -1.18 0.00 0.00 179.01 178.60 2aff h GLN 56 N 0.00 -0.21 0.00 1.92 4.15 -2.01 -3.49 115.11 115.48 2aff h GLN 56 Ca 0.82 0.01 0.00 0.00 0.77 0.00 0.00 58.65 60.25 2aff h GLN 56 Cb 3.54 0.05 0.00 0.00 0.21 0.00 0.00 27.48 31.27 2aff h GLN 56 CO -0.01 -0.14 0.00 -1.91 -1.93 0.00 0.00 178.83 174.84 2aff n GLU 57 N -2.73 0.00 -5.17 1.69 4.07 0.18 -5.16 120.64 113.52 2aff n GLU 57 Ca -0.03 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.76 2aff n GLU 57 Cb 0.08 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.29 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 2.09 -0.13 4.31 0.00 -1.26 -0.43 121.76 125.28 2aff s ALA 58 Ca 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2aff s ALA 58 Cb 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 2aff s ALA 58 CO 0.00 0.29 -0.18 0.42 0.00 0.00 0.00 175.76 176.29 2aff s ILE 59 N 0.32 2.57 -0.20 0.00 1.01 -0.82 0.14 121.20 124.22 2aff s ILE 59 Ca -0.17 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.52 2aff s ILE 59 Cb -0.17 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 2aff s ILE 59 CO 0.08 0.54 0.28 -0.22 0.00 0.00 0.00 174.94 175.61 2aff s LEU 60 N 0.47 4.17 -0.09 2.97 2.96 0.58 -1.64 118.68 128.10 2aff s LEU 60 Ca -0.12 0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 54.16 2aff s LEU 60 Cb -0.17 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 2aff s LEU 60 CO 0.05 0.04 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.04 2aff s HIS 61 N 0.91 2.92 -0.47 5.38 3.76 0.98 -1.75 115.29 127.01 2aff s HIS 61 Ca 0.14 -0.15 -0.18 0.00 -0.15 0.00 0.00 55.06 54.72 2aff s HIS 61 Cb -0.14 -1.78 0.05 0.00 1.11 0.00 0.00 32.58 31.83 2aff s HIS 61 CO 0.05 0.17 0.54 1.21 -0.85 0.00 0.00 174.74 175.86 2aff s ASN 62 N -0.39 6.21 -0.01 1.40 2.47 -1.26 -1.93 114.94 121.43 2aff s ASN 62 Ca 0.06 -0.87 0.21 0.00 0.42 0.00 0.00 52.86 52.67 2aff s ASN 62 Cb -0.12 -2.26 -0.25 0.00 -1.45 0.00 0.00 41.25 37.17 2aff s ASN 62 CO 0.02 -0.76 0.82 0.49 -3.72 0.00 0.00 177.10 173.95 2aff n PHE 63 N 5.87 0.00 -2.68 0.43 3.01 -0.34 -4.84 117.46 118.91 2aff n PHE 63 Ca -0.07 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.97 2aff n PHE 63 Cb 0.46 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.79 2aff n PHE 63 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2aff s SER 64 N -3.31 6.18 0.18 4.37 0.15 -0.46 -4.66 113.70 116.15 2aff s SER 64 Ca 0.05 -0.64 -0.01 0.00 0.70 0.00 0.00 55.95 56.05 2aff s SER 64 Cb 0.16 -2.50 0.08 0.00 -1.71 0.00 0.00 66.02 62.05 2aff s SER 64 CO 0.88 -1.65 1.45 0.28 1.20 0.00 0.00 173.24 175.40 2aff h SER 65 N 9.80 0.45 -0.26 5.45 0.02 -1.91 -3.02 113.55 124.09 2aff h SER 65 Ca -0.28 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 60.26 2aff h SER 65 Cb 1.06 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2aff h SER 65 CO 1.23 1.02 -0.23 0.71 -1.14 0.00 0.00 176.83 178.43 2aff h THR 66 N 0.26 1.27 -2.22 -2.27 1.35 -1.98 -3.40 112.91 105.93 2aff h THR 66 Ca -0.03 -1.33 -0.43 0.00 -0.55 0.00 0.00 66.41 64.07 2aff h THR 66 Cb 1.28 1.23 -0.34 0.00 -1.73 0.00 0.00 68.15 68.59 2aff h THR 66 CO 0.12 0.44 -0.73 0.20 -0.25 0.00 0.00 175.52 175.30 2aff s ASN 67 N -6.76 1.92 0.53 5.36 0.01 -1.22 -5.14 114.94 109.64 2aff s ASN 67 Ca -0.09 -1.61 -0.22 0.00 -0.71 0.00 0.00 52.86 50.23 2aff s ASN 67 Cb 0.13 0.22 -0.06 0.00 0.41 0.00 0.00 41.25 41.94 2aff s ASN 67 CO 0.83 -0.31 1.16 -2.65 -1.51 0.00 0.00 177.10 174.62 2aff n PRO 68 N 4.42 1.41 -2.39 -0.60 -0.02 -1.14 -4.69 135.00 131.99 2aff n PRO 68 Ca 0.08 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 2aff n PRO 68 Cb 0.43 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.35 3.49 -0.11 3.45 2.01 -1.26 -4.84 115.64 117.03 2aff s THR 69 Ca 0.70 1.34 -0.05 0.00 0.31 0.00 0.00 61.69 63.99 2aff s THR 69 Cb -0.45 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 2aff s THR 69 CO 0.51 0.25 0.09 -1.10 -0.69 0.00 0.00 174.62 173.69 2aff s GLN 70 N -0.73 3.28 -0.04 4.92 -0.21 -0.54 -1.01 119.66 125.33 2aff s GLN 70 Ca 0.50 -0.23 0.02 0.00 0.02 0.00 0.00 55.36 55.67 2aff s GLN 70 Cb -0.33 -3.05 0.01 0.00 1.00 0.00 0.00 33.01 30.64 2aff s GLN 70 CO 0.39 0.75 -0.09 0.08 -2.12 0.00 0.00 175.29 174.30 2aff s VAL 71 N -0.99 0.82 -1.25 1.09 1.01 0.54 0.22 120.40 121.84 2aff s VAL 71 Ca 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2aff s VAL 71 Cb -0.12 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.53 2aff s VAL 71 CO 0.04 0.27 0.21 0.59 0.00 0.00 0.00 175.10 176.21 2aff n ASN 72 N 3.56 -4.35 -0.68 3.32 3.02 0.00 0.20 115.26 120.33 2aff n ASN 72 Ca -0.21 -0.04 -0.06 0.00 -0.03 0.00 0.00 54.58 54.23 2aff n ASN 72 Cb 0.53 -3.63 -0.01 0.00 -0.61 0.00 0.00 39.78 36.06 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 -1.02 0.24 2.96 7.41 0.00 -1.26 -5.04 105.19 108.48 2aff n GLY 73 Ca -0.12 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.10 0.33 1.61 0.01 0.13 -5.10 113.70 107.83 2aff s SER 74 Ca 0.00 0.20 -0.28 0.00 1.31 0.00 0.00 55.95 57.18 2aff s SER 74 Cb 0.00 0.19 -0.09 0.00 0.21 0.00 0.00 66.02 66.33 2aff s SER 74 CO 0.00 -0.05 1.17 0.54 0.41 0.00 0.00 173.24 175.31 2aff s VAL 75 N 0.17 3.21 -0.64 3.43 0.11 -1.26 0.20 120.40 125.62 2aff s VAL 75 Ca -0.01 1.14 -0.03 0.00 -2.93 0.00 0.00 61.98 60.15 2aff s VAL 75 Cb -0.02 -3.70 0.16 0.00 -1.53 0.00 0.00 36.38 31.30 2aff s VAL 75 CO -0.00 0.22 0.45 0.27 -3.33 0.00 0.00 175.10 172.70 2aff s ILE 76 N -1.25 3.74 0.40 7.04 -4.36 -0.18 -4.87 121.20 121.71 2aff s ILE 76 Ca 0.50 -3.00 0.21 0.00 -0.26 0.00 0.00 60.65 58.10 2aff s ILE 76 Cb -0.33 -3.43 0.23 0.00 1.25 0.00 0.00 42.46 40.17 2aff s ILE 76 CO 0.43 -0.89 1.99 0.44 0.24 0.00 0.00 174.94 177.16 2aff h ASP 77 N 6.99 0.00 -2.07 4.36 3.32 -1.95 -3.43 116.42 123.64 2aff h ASP 77 Ca -0.01 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.45 2aff h ASP 77 Cb 0.95 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.36 2aff h ASP 77 CO 0.71 0.19 -0.63 -1.61 -1.72 0.00 0.00 179.24 176.18 2aff s GLU 78 N -4.27 1.84 0.42 3.56 2.02 -1.26 -4.90 118.70 116.10 2aff s GLU 78 Ca -0.03 -2.00 -0.26 0.00 0.02 0.00 0.00 54.97 52.70 2aff s GLU 78 Cb 0.14 -1.51 -0.10 0.00 0.10 0.00 0.00 34.13 32.76 2aff s GLU 78 CO 0.64 -0.01 1.26 -2.30 0.02 0.00 0.00 175.26 174.87 2aff n PRO 79 N -0.85 1.91 -4.27 0.39 -0.02 -1.26 -4.77 135.00 126.14 2aff n PRO 79 Ca -0.05 0.68 -0.18 0.00 -2.02 0.00 0.00 63.50 61.94 2aff n PRO 79 Cb 0.66 -2.36 -0.15 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.19 0.58 0.05 -1.45 0.11 -0.72 -4.99 120.40 112.79 2aff s VAL 80 Ca 0.61 -0.30 -0.30 0.00 -2.93 0.00 0.00 61.98 59.06 2aff s VAL 80 Cb -0.51 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 2aff s VAL 80 CO 0.58 0.17 1.04 -0.60 -3.33 0.00 0.00 175.10 172.96 2aff s ARG 81 N -0.06 4.56 -0.01 1.54 3.52 -1.26 -0.31 118.95 126.93 2aff s ARG 81 Ca 0.01 1.53 -0.27 0.00 -0.13 0.00 0.00 55.73 56.87 2aff s ARG 81 Cb -0.04 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 2aff s ARG 81 CO -0.00 -0.04 0.84 -0.51 -0.81 0.00 0.00 175.30 174.78 2aff s LEU 82 N 0.73 4.38 0.03 -0.88 1.43 0.37 -4.92 118.68 119.82 2aff s LEU 82 Ca 0.52 1.47 0.09 0.00 -1.03 0.00 0.00 54.13 55.18 2aff s LEU 82 Cb -0.24 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2aff s LEU 82 CO 0.29 -0.14 -0.26 -0.75 0.23 0.00 0.00 176.35 175.72 2aff s LYS 83 N 0.66 1.86 -0.28 1.70 2.20 -1.26 -4.36 119.74 120.25 2aff s LYS 83 Ca 0.44 -1.08 -0.39 0.00 -0.36 0.00 0.00 55.97 54.58 2aff s LYS 83 Cb -0.20 -2.00 -0.15 0.00 -1.51 0.00 0.00 37.83 33.98 2aff s LYS 83 CO 0.24 0.52 1.85 1.58 -0.36 0.00 0.00 175.35 179.18 2aff n HIS 84 N 1.89 1.98 0.00 4.03 -0.00 -1.26 0.40 115.22 122.26 2aff n HIS 84 Ca -0.17 0.45 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 2aff n HIS 84 Cb 0.52 -2.49 0.00 0.00 -0.00 0.00 0.00 29.99 28.02 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 4.74 1.23 3.73 1.57 0.00 -0.94 -4.99 105.19 110.53 2aff n GLY 85 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.81 6.88 -0.13 1.61 2.15 0.16 -4.81 116.67 120.72 2aff s ASP 86 Ca 0.00 2.34 -0.03 0.00 0.43 0.00 0.00 52.55 55.29 2aff s ASP 86 Cb 0.00 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 39.99 2aff s ASP 86 CO 0.00 -0.58 -0.02 -0.69 -0.17 0.00 0.00 175.17 173.71 2aff s VAL 87 N 0.60 4.04 -0.17 1.11 1.01 -1.26 -1.93 120.40 123.80 2aff s VAL 87 Ca 0.60 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 2aff s VAL 87 Cb -0.36 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2aff s VAL 87 CO 0.34 0.53 0.09 -0.63 0.00 0.00 0.00 175.10 175.43 2aff s ILE 88 N -0.08 5.06 -0.12 2.22 1.01 -0.61 -0.82 121.20 127.87 2aff s ILE 88 Ca 0.03 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.76 2aff s ILE 88 Cb -0.13 -3.27 0.01 0.00 0.01 0.00 0.00 42.46 39.08 2aff s ILE 88 CO 0.02 0.48 -0.22 -0.89 0.00 0.00 0.00 174.94 174.34 2aff s THR 89 N 0.12 1.97 -0.20 2.92 2.01 0.60 0.09 115.64 123.15 2aff s THR 89 Ca 0.07 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 2aff s THR 89 Cb -0.12 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 2aff s THR 89 CO -0.00 0.54 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.77 2aff s ILE 90 N 0.62 3.31 0.00 1.82 1.01 0.97 -1.47 121.20 127.47 2aff s ILE 90 Ca -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2aff s ILE 90 Cb -0.17 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.82 2aff s ILE 90 CO 0.03 0.45 0.00 -0.38 0.00 0.00 0.00 174.94 175.04 2aff n ILE 91 N 4.54 0.00 0.04 2.92 5.41 -1.26 0.34 119.36 131.36 2aff n ILE 91 Ca -0.18 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.64 2aff n ILE 91 Cb 0.51 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 -0.90 0.00 0.00 0.00 176.55 175.65 2aff n ASP 92 N 1.25 2.88 -4.17 4.38 5.75 -1.26 -4.99 116.55 120.40 2aff n ASP 92 Ca 0.00 -1.87 -0.20 0.00 -0.01 0.00 0.00 54.79 52.71 2aff n ASP 92 Cb 0.00 -0.20 -0.13 0.00 -1.03 0.00 0.00 41.12 39.76 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 -1.07 0.90 0.06 0.11 0.52 1.06 -4.42 118.95 116.11 2aff s ARG 93 Ca 0.26 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 2aff s ARG 93 Cb 0.15 -0.92 -0.03 0.00 0.52 0.00 0.00 34.95 34.66 2aff s ARG 93 CO 0.20 0.22 -0.06 0.45 0.02 0.00 0.00 175.30 176.12 2aff s SER 94 N -1.46 0.84 -0.14 0.23 0.15 -1.26 0.32 113.70 112.39 2aff s SER 94 Ca 0.00 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.92 2aff s SER 94 Cb -0.09 0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 2aff s SER 94 CO 0.02 -0.34 -0.13 -0.36 1.20 0.00 0.00 173.24 173.63 2aff s PHE 95 N -2.36 2.02 0.02 3.44 0.40 0.11 -1.15 117.98 120.46 2aff s PHE 95 Ca -0.02 -1.09 -0.26 0.00 -0.60 0.00 0.00 56.93 54.96 2aff s PHE 95 Cb -0.03 -1.51 -0.05 0.00 0.51 0.00 0.00 43.02 41.94 2aff s PHE 95 CO -0.02 -0.61 0.82 1.03 0.70 0.00 0.00 175.22 177.14 2aff s ARG 96 N 1.44 4.52 -0.22 0.44 0.52 -0.28 -1.57 118.95 123.81 2aff s ARG 96 Ca 0.03 1.15 -0.16 0.00 -0.52 0.00 0.00 55.73 56.23 2aff s ARG 96 Cb -0.13 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 2aff s ARG 96 CO -0.09 0.15 0.42 -0.47 0.02 0.00 0.00 175.30 175.34 2aff s TYR 97 N 0.38 3.34 -0.17 -0.53 5.04 -0.81 -1.70 117.35 122.90 2aff s TYR 97 Ca 0.42 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.66 2aff s TYR 97 Cb -0.20 -2.57 0.03 0.00 0.35 0.00 0.00 41.96 39.57 2aff s TYR 97 CO 0.24 -0.09 -0.11 -2.00 -1.34 0.00 0.00 175.55 172.25 2aff s GLU 98 N 1.61 2.00 0.17 4.97 2.12 -0.32 -2.21 118.70 127.05 2aff s GLU 98 Ca 0.19 -0.65 -0.11 0.00 0.36 0.00 0.00 54.97 54.76 2aff s GLU 98 Cb -0.15 -2.18 0.07 0.00 0.26 0.00 0.00 34.13 32.13 2aff s GLU 98 CO 0.09 -0.35 1.69 -0.97 -0.54 0.00 0.00 175.26 175.18 2aff h ASN 99 N 8.04 0.89 0.00 -1.70 -0.73 -1.85 0.20 115.58 120.43 2aff h ASN 99 Ca -0.31 -0.22 0.00 0.00 1.87 0.00 0.00 56.30 57.64 2aff h ASN 99 Cb 1.12 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.47 2aff h ASN 99 CO 0.48 0.88 0.00 -0.62 -0.37 0.00 0.00 177.43 177.79