#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 1.39 -3.68 0.52 -1.04 -1.26 -4.95 114.28 105.26 2aff n THR 4 Ca 0.00 -0.40 -0.36 0.00 -2.04 0.00 0.00 64.05 61.25 2aff n THR 4 Cb 0.00 -1.71 -0.09 0.00 -1.82 0.00 0.00 70.33 66.71 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 -2.47 4.12 0.07 -2.82 0.52 -1.26 -1.05 118.95 116.06 2aff s ARG 5 Ca -0.35 -0.23 0.06 0.00 -0.52 0.00 0.00 55.73 54.69 2aff s ARG 5 Cb 0.12 -3.49 -0.03 0.00 0.52 0.00 0.00 34.95 32.07 2aff s ARG 5 CO 0.47 0.15 -0.16 1.03 0.02 0.00 0.00 175.30 176.82 2aff s ARG 6 N 0.79 0.92 -0.02 3.54 0.52 -0.60 -1.57 118.95 122.53 2aff s ARG 6 Ca 0.08 -0.94 0.04 0.00 -0.52 0.00 0.00 55.73 54.39 2aff s ARG 6 Cb -0.13 -0.98 -0.03 0.00 0.52 0.00 0.00 34.95 34.33 2aff s ARG 6 CO 0.02 0.23 -0.11 -0.51 0.02 0.00 0.00 175.30 174.95 2aff s LEU 7 N -1.59 2.92 -0.13 2.53 1.43 -1.00 -1.89 118.68 120.95 2aff s LEU 7 Ca 0.01 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2aff s LEU 7 Cb -0.09 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 2aff s LEU 7 CO 0.02 0.31 -0.16 -0.69 0.23 0.00 0.00 176.35 176.06 2aff s VAL 8 N -0.86 2.69 0.23 -1.59 1.01 -0.94 -1.06 120.40 119.88 2aff s VAL 8 Ca 0.14 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 2aff s VAL 8 Cb -0.11 -2.11 -0.09 0.00 0.00 0.00 0.00 36.38 34.07 2aff s VAL 8 CO 0.04 0.53 0.88 -0.89 0.00 0.00 0.00 175.10 175.65 2aff s THR 9 N 0.51 4.21 -0.08 3.92 2.01 -0.97 -2.05 115.64 123.19 2aff s THR 9 Ca -0.11 1.88 0.02 0.00 0.31 0.00 0.00 61.69 63.79 2aff s THR 9 Cb -0.16 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.14 2aff s THR 9 CO 0.04 0.42 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.63 2aff s ILE 10 N -1.27 3.09 0.46 1.82 1.01 -0.83 -2.34 121.20 123.13 2aff s ILE 10 Ca 0.41 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 2aff s ILE 10 Cb -0.23 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 2aff s ILE 10 CO 0.28 0.56 0.78 -0.54 0.00 0.00 0.00 174.94 176.03 2aff s LYS 11 N -0.30 3.62 0.56 2.79 1.02 0.33 -4.30 119.74 123.46 2aff s LYS 11 Ca 0.02 0.29 0.24 0.00 0.02 0.00 0.00 55.97 56.55 2aff s LYS 11 Cb -0.13 -2.38 1.55 0.00 -0.52 0.00 0.00 37.83 36.36 2aff s LYS 11 CO 0.03 -0.15 2.16 0.00 -0.92 0.00 0.00 175.35 176.46 2aff h ARG 12 N 0.56 0.00 -0.00 1.68 3.08 -1.89 0.51 114.38 118.32 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 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2aff h ARG 12 CO 0.62 0.00 -0.16 -1.13 -1.07 0.00 0.00 179.97 178.24 2aff n SER 13 N -4.13 0.22 -0.18 7.04 3.41 -1.26 -4.91 113.62 113.80 2aff n SER 13 Ca -0.01 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2aff n SER 13 Cb 0.19 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 1.45 1.04 3.26 5.00 0.00 0.18 -5.09 105.19 111.03 2aff n GLY 14 Ca 0.08 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.37 2.27 -0.08 1.61 1.01 -1.24 -4.82 120.40 116.78 2aff s VAL 15 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 2aff s VAL 15 Cb 0.00 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2aff s VAL 15 CO 0.00 0.56 1.20 -0.62 0.00 0.00 0.00 175.10 176.23 2aff s ASP 16 N 0.21 7.04 0.00 3.32 -1.08 -1.26 -0.51 116.67 124.40 2aff s ASP 16 Ca -0.14 1.77 0.00 0.00 -0.52 0.00 0.00 52.55 53.67 2aff s ASP 16 Cb -0.17 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 2aff s ASP 16 CO 0.07 -0.61 0.00 0.61 0.52 0.00 0.00 175.17 175.77 2aff n GLY 17 N 3.39 1.39 3.82 2.66 0.00 -0.99 -4.99 105.19 110.48 2aff n GLY 17 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 3.25 3.48 0.11 1.61 0.04 -1.26 -4.75 135.00 137.48 2aff s PRO 18 Ca 0.00 1.07 0.09 0.00 0.04 0.00 0.00 61.00 62.21 2aff s PRO 18 Cb 0.00 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2aff s PRO 18 CO 0.00 -0.67 -0.21 -3.38 0.04 0.00 0.00 177.00 172.78 2aff s HIS 19 N -2.62 2.45 -0.38 0.56 -3.43 -1.26 -2.30 115.29 108.32 2aff s HIS 19 Ca 0.61 -0.31 -0.01 0.00 -0.80 0.00 0.00 55.06 54.56 2aff s HIS 19 Cb -0.14 -1.33 0.10 0.00 -1.43 0.00 0.00 32.58 29.79 2aff s HIS 19 CO 0.38 0.35 0.14 0.12 -2.00 0.00 0.00 174.74 173.73 2aff s PHE 20 N -1.08 3.63 0.16 0.38 5.36 -0.23 -4.96 117.98 121.24 2aff s PHE 20 Ca 0.16 -2.59 -0.31 0.00 -0.96 0.00 0.00 56.93 53.23 2aff s PHE 20 Cb -0.10 -3.07 -0.10 0.00 -0.34 0.00 0.00 43.02 39.40 2aff s PHE 20 CO 0.08 -0.96 1.54 -2.14 -1.46 0.00 0.00 175.22 172.28 2aff s PRO 21 N 1.07 4.23 -1.37 10.12 0.02 -1.26 -2.37 135.00 145.44 2aff s PRO 21 Ca 0.08 2.32 -0.13 0.00 0.02 0.00 0.00 61.00 63.30 2aff s PRO 21 Cb -0.21 -3.17 0.09 0.00 0.02 0.00 0.00 34.50 31.23 2aff s PRO 21 CO -0.05 -0.58 2.03 1.28 -0.33 0.00 0.00 177.00 179.34 2aff n LEU 22 N 3.98 6.56 0.12 -5.54 4.77 -0.61 -4.55 117.00 121.73 2aff n LEU 22 Ca 0.13 -4.32 0.13 0.00 -0.03 0.00 0.00 56.01 51.92 2aff n LEU 22 Cb 0.39 -1.60 0.40 0.00 -2.33 0.00 0.00 43.42 40.28 2aff n LEU 22 CO 0.61 1.11 0.88 0.77 -1.33 0.00 0.00 177.39 179.43 2aff h SER 23 N 6.09 0.00 -3.02 -1.43 4.64 -1.90 -3.44 113.55 114.48 2aff h SER 23 Ca 0.49 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 61.20 2aff h SER 23 Cb 0.67 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.70 2aff h SER 23 CO 1.73 0.00 -0.22 -0.76 -0.87 0.00 0.00 176.83 176.71 2aff s LEU 24 N -4.69 4.45 0.45 5.97 1.43 -1.26 -4.97 118.68 120.06 2aff s LEU 24 Ca 0.09 0.92 0.31 0.00 -1.03 0.00 0.00 54.13 54.43 2aff s LEU 24 Cb 0.11 -2.63 1.42 0.00 0.03 0.00 0.00 46.19 45.12 2aff s LEU 24 CO 0.58 0.30 1.92 0.77 0.23 0.00 0.00 176.35 180.15 2aff h SER 25 N 4.56 0.00 -3.63 2.29 4.64 -1.93 -3.42 113.55 116.06 2aff h SER 25 Ca -0.51 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.34 2aff h SER 25 Cb 1.22 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.98 2aff h SER 25 CO 0.62 0.00 -0.80 -0.89 -0.87 0.00 0.00 176.83 174.89 2aff s THR 26 N -3.63 0.93 -0.17 2.95 2.01 -1.26 -0.75 115.64 115.72 2aff s THR 26 Ca 0.00 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.61 2aff s THR 26 Cb 0.09 -0.85 0.04 0.00 0.01 0.00 0.00 72.50 71.79 2aff s THR 26 CO 0.42 0.30 -0.11 0.00 -0.69 0.00 0.00 174.62 174.54 2aff s LEU 28 N 1.47 2.71 -0.06 0.00 2.96 -1.26 -0.22 118.68 124.27 2aff s LEU 28 Ca 0.01 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2aff s LEU 28 Cb -0.15 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2aff s LEU 28 CO -0.09 0.15 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.69 2aff s PHE 29 N 0.45 3.01 -5.00 5.38 0.40 0.19 0.20 117.98 122.61 2aff s PHE 29 Ca -0.09 0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 2aff s PHE 29 Cb -0.16 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.65 2aff s PHE 29 CO 0.05 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.76 2aff n GLY 30 N 2.06 -2.10 0.15 4.36 0.00 -0.95 -2.56 105.19 106.15 2aff n GLY 30 Ca -0.18 -1.41 0.02 0.00 0.00 0.00 0.00 46.02 44.45 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 1.02 0.00 -6.95 1.61 3.08 -0.87 -3.21 114.38 109.06 2aff h ARG 31 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2aff h ARG 31 Cb 0.00 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.20 2aff h ARG 31 CO 0.00 0.52 0.37 0.41 -1.07 0.00 0.00 179.97 180.20 2aff n GLY 32 N 0.57 0.23 0.26 0.04 0.00 -0.99 -4.82 105.19 100.49 2aff n GLY 32 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 0.83 1.27 -0.14 -0.61 6.09 -1.90 -1.95 117.51 121.10 2aff h ILE 33 Ca -0.50 -1.18 0.04 0.00 -1.37 0.00 0.00 64.86 61.86 2aff h ILE 33 Cb 1.34 1.04 -0.01 0.00 0.47 0.00 0.00 36.82 39.66 2aff h ILE 33 CO 0.54 0.41 0.41 -0.33 -3.07 0.00 0.00 178.15 176.10 2aff h GLU 34 N 0.76 0.00 -6.31 2.19 5.08 -1.95 -3.40 114.58 110.94 2aff h GLU 34 Ca 0.13 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.95 2aff h GLU 34 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2aff h GLU 34 CO 0.04 0.00 1.11 0.00 -1.00 0.00 0.00 179.01 179.16 2aff h ASP 36 N 9.64 0.00 -3.31 0.00 3.32 -0.47 -3.35 116.42 122.25 2aff h ASP 36 Ca -0.42 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.13 2aff h ASP 36 Cb 1.20 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.39 2aff h ASP 36 CO 0.95 0.00 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.04 2aff s ILE 37 N -4.58 0.91 -0.05 0.35 1.01 -0.41 -4.95 121.20 113.48 2aff s ILE 37 Ca -0.04 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.37 2aff s ILE 37 Cb 0.15 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 2aff s ILE 37 CO 0.53 0.33 -0.17 -0.60 0.00 0.00 0.00 174.94 175.02 2aff s ARG 38 N 1.27 2.46 -0.08 2.79 3.52 -1.26 -2.25 118.95 125.41 2aff s ARG 38 Ca -0.04 -0.76 0.04 0.00 -0.13 0.00 0.00 55.73 54.84 2aff s ARG 38 Cb -0.14 -2.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.94 2aff s ARG 38 CO -0.03 0.58 -0.21 0.42 -0.81 0.00 0.00 175.30 175.25 2aff s ILE 39 N -0.62 2.42 -0.96 4.11 1.01 -1.21 -4.99 121.20 120.95 2aff s ILE 39 Ca 0.09 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2aff s ILE 39 Cb -0.11 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.43 2aff s ILE 39 CO 0.01 0.56 0.35 0.00 0.00 0.00 0.00 174.94 175.86 2aff n GLN 40 N 3.13 0.67 -3.27 2.79 6.02 -1.26 -4.66 117.38 120.81 2aff n GLN 40 Ca -0.18 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.43 2aff n GLN 40 Cb 0.52 -1.33 -0.06 0.00 1.02 0.00 0.00 30.24 30.39 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 4.24 0.00 1.08 1.43 -1.26 -4.95 118.68 119.22 2aff s LEU 41 Ca 0.00 0.82 0.20 0.00 -1.03 0.00 0.00 54.13 54.12 2aff s LEU 41 Cb 0.00 -2.74 0.97 0.00 0.03 0.00 0.00 46.19 44.44 2aff s LEU 41 CO 0.00 -0.06 1.62 -0.81 0.23 0.00 0.00 176.35 177.33 2aff n PRO 42 N 3.99 0.23 -0.14 1.29 -0.04 -1.26 -2.40 135.00 136.67 2aff n PRO 42 Ca -0.06 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.60 2aff n PRO 42 Cb 0.51 -1.50 0.16 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 -1.33 0.49 -3.03 0.52 0.24 -1.26 -4.95 118.33 109.01 2aff n VAL 43 Ca 0.08 -0.75 -0.40 0.00 -2.04 0.00 0.00 64.34 61.24 2aff n VAL 43 Cb 0.17 0.94 -0.05 0.00 -1.47 0.00 0.00 33.84 33.43 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 -1.24 4.86 0.80 3.34 1.01 -1.01 -4.96 120.40 123.20 2aff s VAL 44 Ca 0.29 1.52 -0.12 0.00 0.00 0.00 0.00 61.98 63.66 2aff s VAL 44 Cb 0.17 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.57 2aff s VAL 44 CO 0.24 0.34 1.15 -0.44 0.00 0.00 0.00 175.10 176.38 2aff s SER 45 N 0.20 3.87 0.14 3.32 0.01 -1.26 -4.26 113.70 115.73 2aff s SER 45 Ca 0.37 2.12 -0.17 0.00 1.31 0.00 0.00 55.95 59.58 2aff s SER 45 Cb -0.19 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 2aff s SER 45 CO 0.21 -2.47 1.78 0.07 0.41 0.00 0.00 173.24 173.23 2aff h LYS 46 N -1.08 0.48 0.00 12.44 2.10 -1.92 -0.01 116.57 128.57 2aff h LYS 46 Ca -0.45 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2aff h LYS 46 Cb 1.26 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2aff h LYS 46 CO 0.47 0.35 -0.56 1.04 -2.00 0.00 0.00 179.45 178.75 2aff n GLN 47 N -4.81 3.65 0.00 0.07 6.02 -1.26 -2.34 117.38 118.71 2aff n GLN 47 Ca -0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2aff n GLN 47 Cb 0.05 -0.91 0.00 0.00 1.02 0.00 0.00 30.24 30.40 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 -1.30 0.00 -3.82 1.08 -0.00 -1.06 -4.03 115.22 106.08 2aff n HIS 48 Ca 0.01 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.07 2aff n HIS 48 Cb 0.13 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 29.90 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 -1.31 0.10 -0.13 0.00 2.20 -0.91 0.57 119.74 120.26 2aff s LYS 50 Ca -0.14 0.12 -0.04 0.00 -0.36 0.00 0.00 55.97 55.56 2aff s LYS 50 Cb -0.06 -0.32 -0.03 0.00 -1.51 0.00 0.00 37.83 35.90 2aff s LYS 50 CO 0.03 -0.13 0.01 0.42 -0.36 0.00 0.00 175.35 175.31 2aff s ILE 51 N 0.93 4.37 -0.09 5.43 1.01 0.69 -0.53 121.20 133.01 2aff s ILE 51 Ca -0.08 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.37 2aff s ILE 51 Cb -0.12 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 2aff s ILE 51 CO -0.02 0.55 -0.11 -1.61 0.00 0.00 0.00 174.94 173.74 2aff s GLU 52 N -0.30 2.96 -0.24 2.79 2.02 0.13 -1.49 118.70 124.58 2aff s GLU 52 Ca 0.07 -0.64 -0.10 0.00 0.02 0.00 0.00 54.97 54.32 2aff s GLU 52 Cb -0.12 -2.56 -0.05 0.00 0.10 0.00 0.00 34.13 31.50 2aff s GLU 52 CO 0.02 0.46 0.14 0.42 0.02 0.00 0.00 175.26 176.32 2aff s ILE 53 N -0.29 5.18 -0.05 -1.63 -1.09 0.07 -1.56 121.20 121.84 2aff s ILE 53 Ca 0.03 0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.60 2aff s ILE 53 Cb -0.13 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 2aff s ILE 53 CO 0.03 0.35 -0.13 -1.00 -1.23 0.00 0.00 174.94 172.95 2aff s HIS 54 N 1.07 1.44 0.56 3.97 3.76 0.00 -4.96 115.29 121.14 2aff s HIS 54 Ca 0.07 -0.45 0.51 0.00 -0.15 0.00 0.00 55.06 55.04 2aff s HIS 54 Cb -0.14 -1.01 1.74 0.00 1.11 0.00 0.00 32.58 34.28 2aff s HIS 54 CO 0.04 -0.19 1.57 0.39 -0.85 0.00 0.00 174.74 175.70 2aff n GLU 55 N 3.43 0.00 0.10 1.40 1.02 -1.26 0.19 120.64 125.53 2aff n GLU 55 Ca -0.20 1.09 -0.04 0.00 -0.02 0.00 0.00 57.16 57.99 2aff n GLU 55 Cb 0.53 -2.52 -0.02 0.00 -0.02 0.00 0.00 31.44 29.41 2aff n GLU 55 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2aff h GLN 56 N 0.00 -0.26 0.00 3.49 5.75 -2.01 -3.49 115.11 118.58 2aff h GLN 56 Ca 0.95 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 59.46 2aff h GLN 56 Cb 3.81 0.06 0.00 0.00 1.07 0.00 0.00 27.48 32.42 2aff h GLN 56 CO -0.01 -0.17 0.00 -1.91 -2.65 0.00 0.00 178.83 174.09 2aff n GLU 57 N -2.91 0.00 -4.70 1.69 4.07 0.13 -5.17 120.64 113.75 2aff n GLU 57 Ca -0.03 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.82 2aff n GLU 57 Cb 0.11 0.00 -0.16 0.00 -0.06 0.00 0.00 31.44 31.33 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 -1.23 1.34 -0.08 4.31 0.00 -1.26 -0.82 121.76 124.03 2aff s ALA 58 Ca 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.43 2aff s ALA 58 Cb 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 2aff s ALA 58 CO 0.00 0.22 -0.23 0.42 0.00 0.00 0.00 175.76 176.17 2aff s ILE 59 N 0.15 1.95 -0.21 0.00 1.01 -0.60 0.11 121.20 123.61 2aff s ILE 59 Ca -0.05 -0.98 -0.09 0.00 0.00 0.00 0.00 60.65 59.52 2aff s ILE 59 Cb -0.11 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 2aff s ILE 59 CO 0.02 0.54 0.11 -0.22 0.00 0.00 0.00 174.94 175.39 2aff s LEU 60 N 0.12 4.01 -0.09 2.97 2.96 -0.14 -0.70 118.68 127.82 2aff s LEU 60 Ca -0.11 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 2aff s LEU 60 Cb -0.16 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 2aff s LEU 60 CO 0.06 0.13 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.15 2aff s HIS 61 N 0.62 2.92 -0.45 5.38 3.76 0.31 -1.83 115.29 126.00 2aff s HIS 61 Ca 0.06 -0.13 -0.17 0.00 -0.15 0.00 0.00 55.06 54.66 2aff s HIS 61 Cb -0.12 -1.77 0.04 0.00 1.11 0.00 0.00 32.58 31.84 2aff s HIS 61 CO 0.01 0.18 0.47 1.21 -0.85 0.00 0.00 174.74 175.76 2aff s ASN 62 N -0.44 6.19 -0.00 1.40 3.84 -1.26 -2.15 114.94 122.52 2aff s ASN 62 Ca 0.06 -0.91 0.21 0.00 0.21 0.00 0.00 52.86 52.44 2aff s ASN 62 Cb -0.12 -2.23 -0.15 0.00 -0.55 0.00 0.00 41.25 38.20 2aff s ASN 62 CO 0.02 -0.67 0.94 0.49 -2.79 0.00 0.00 177.10 175.10 2aff n PHE 63 N 5.62 0.00 -2.46 0.43 3.01 0.02 -4.86 117.46 119.22 2aff n PHE 63 Ca -0.09 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.97 2aff n PHE 63 Cb 0.46 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.86 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 -3.05 6.08 -0.07 4.37 0.15 -0.06 -4.62 113.70 116.51 2aff s SER 64 Ca 0.08 -0.15 -0.18 0.00 0.70 0.00 0.00 55.95 56.40 2aff s SER 64 Cb 0.16 -2.55 -0.30 0.00 -1.71 0.00 0.00 66.02 61.62 2aff s SER 64 CO 0.85 -1.84 0.73 0.28 1.20 0.00 0.00 173.24 174.47 2aff h SER 65 N 10.76 0.48 -0.29 5.45 0.02 -1.91 -3.15 113.55 124.91 2aff h SER 65 Ca -0.27 -0.90 -0.01 0.00 -0.84 0.00 0.00 61.79 59.77 2aff h SER 65 Cb 1.07 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2aff h SER 65 CO 1.24 1.56 0.16 0.74 -1.14 0.00 0.00 176.83 179.39 2aff h THR 66 N -0.26 1.12 -2.93 -2.27 2.02 -2.01 -3.38 112.91 105.20 2aff h THR 66 Ca -0.24 -0.32 -0.59 0.00 0.77 0.00 0.00 66.41 66.03 2aff h THR 66 Cb 1.78 0.81 -0.40 0.00 -1.74 0.00 0.00 68.15 68.60 2aff h THR 66 CO 0.12 0.12 -0.77 0.20 0.37 0.00 0.00 175.52 175.56 2aff s ASN 67 N -5.57 3.60 0.32 4.18 0.01 -1.26 -5.12 114.94 111.10 2aff s ASN 67 Ca -0.13 -2.12 -0.28 0.00 -0.71 0.00 0.00 52.86 49.62 2aff s ASN 67 Cb 0.09 -0.78 -0.13 0.00 0.41 0.00 0.00 41.25 40.84 2aff s ASN 67 CO 0.72 -0.34 1.10 -2.65 -1.51 0.00 0.00 177.10 174.42 2aff n PRO 68 N 4.19 1.61 -2.26 -0.60 -0.02 -1.19 -4.71 135.00 132.02 2aff n PRO 68 Ca 0.05 0.57 -0.37 0.00 -2.02 0.00 0.00 63.50 61.72 2aff n PRO 68 Cb 0.38 -2.02 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 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 -1.09 3.11 -0.05 3.45 2.01 -1.26 -4.84 115.64 116.97 2aff s THR 69 Ca 0.58 0.84 0.01 0.00 0.31 0.00 0.00 61.69 63.43 2aff s THR 69 Cb -0.64 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 2aff s THR 69 CO 0.61 -0.01 -0.05 -1.10 -0.69 0.00 0.00 174.62 173.38 2aff s GLN 70 N -2.67 2.74 -0.03 4.92 -1.52 -0.95 -0.90 119.66 121.25 2aff s GLN 70 Ca 0.63 -0.57 0.03 0.00 -1.95 0.00 0.00 55.36 53.50 2aff s GLN 70 Cb -0.29 -2.61 0.00 0.00 -0.22 0.00 0.00 33.01 29.89 2aff s GLN 70 CO 0.35 0.65 -0.12 0.54 -0.25 0.00 0.00 175.29 176.46 2aff s VAL 71 N -0.90 1.02 -0.95 1.09 0.11 0.59 0.78 120.40 122.15 2aff s VAL 71 Ca 0.14 -0.49 -0.03 0.00 -2.93 0.00 0.00 61.98 58.68 2aff s VAL 71 Cb -0.11 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2aff s VAL 71 CO 0.04 0.31 0.13 0.59 -3.33 0.00 0.00 175.10 172.84 2aff n ASN 72 N 3.25 -3.36 -0.81 3.54 3.02 -0.40 0.19 115.26 120.68 2aff n ASN 72 Ca -0.18 0.08 -0.07 0.00 -0.03 0.00 0.00 54.58 54.38 2aff n ASN 72 Cb 0.54 -2.86 -0.01 0.00 -0.61 0.00 0.00 39.78 36.84 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 -0.85 0.14 2.87 7.41 0.00 -1.26 -5.04 105.19 108.47 2aff n GLY 73 Ca -0.09 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.69 0.06 0.33 1.61 0.01 0.50 -5.09 113.70 108.43 2aff s SER 74 Ca 0.00 -0.01 -0.29 0.00 1.31 0.00 0.00 55.95 56.96 2aff s SER 74 Cb 0.00 -0.01 -0.11 0.00 0.21 0.00 0.00 66.02 66.11 2aff s SER 74 CO 0.00 -0.00 1.53 -0.69 0.41 0.00 0.00 173.24 174.48 2aff s VAL 75 N 0.05 2.13 -0.72 3.43 1.01 -1.26 0.22 120.40 125.26 2aff s VAL 75 Ca -0.00 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.14 2aff s VAL 75 Cb -0.01 -3.08 0.24 0.00 0.00 0.00 0.00 36.38 33.53 2aff s VAL 75 CO -0.00 0.02 0.78 2.30 0.00 0.00 0.00 175.10 178.20 2aff n ILE 76 N 1.41 2.59 0.26 2.22 -5.35 -0.08 -4.82 119.36 115.60 2aff n ILE 76 Ca 0.05 -5.23 0.10 0.00 -0.27 0.00 0.00 62.75 57.40 2aff n ILE 76 Cb 0.39 -2.13 0.72 0.00 -1.74 0.00 0.00 39.64 36.87 2aff n ILE 76 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 2aff h ASP 77 N 4.64 0.00 -2.27 7.28 2.03 -1.93 -3.42 116.42 122.74 2aff h ASP 77 Ca 0.19 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.93 2aff h ASP 77 Cb 0.68 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.08 2aff h ASP 77 CO 0.87 0.06 -0.65 -1.61 -1.03 0.00 0.00 179.24 176.88 2aff s GLU 78 N -4.69 2.30 0.47 4.15 2.02 -1.26 -4.87 118.70 116.81 2aff s GLU 78 Ca -0.04 -1.39 -0.24 0.00 0.02 0.00 0.00 54.97 53.31 2aff s GLU 78 Cb 0.15 -2.18 -0.07 0.00 0.10 0.00 0.00 34.13 32.14 2aff s GLU 78 CO 0.62 0.37 1.32 -1.25 0.02 0.00 0.00 175.26 176.35 2aff s PRO 79 N -3.60 3.63 -0.01 0.39 0.04 -1.26 -4.76 135.00 129.42 2aff s PRO 79 Ca 0.31 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.55 2aff s PRO 79 Cb -0.07 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.94 2aff s PRO 79 CO 0.20 -0.78 -0.10 0.08 0.04 0.00 0.00 177.00 176.44 2aff s VAL 80 N -1.31 0.83 0.08 -0.36 1.01 -0.76 -5.00 120.40 114.90 2aff s VAL 80 Ca 0.63 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.87 2aff s VAL 80 Cb -0.38 -0.71 -0.06 0.00 0.00 0.00 0.00 36.38 35.23 2aff s VAL 80 CO 0.48 0.24 1.20 -0.60 0.00 0.00 0.00 175.10 176.42 2aff s ARG 81 N -0.13 4.44 0.12 2.72 3.52 -1.26 -0.96 118.95 127.39 2aff s ARG 81 Ca 0.02 1.79 -0.29 0.00 -0.13 0.00 0.00 55.73 57.13 2aff s ARG 81 Cb -0.05 -3.33 -0.06 0.00 -1.56 0.00 0.00 34.95 29.95 2aff s ARG 81 CO -0.00 -0.23 0.92 -0.51 -0.81 0.00 0.00 175.30 174.67 2aff s LEU 82 N 0.84 4.51 0.10 -0.88 1.43 0.29 -4.88 118.68 120.09 2aff s LEU 82 Ca 0.58 1.76 0.07 0.00 -1.03 0.00 0.00 54.13 55.50 2aff s LEU 82 Cb -0.30 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 2aff s LEU 82 CO 0.30 -0.02 -0.17 -0.54 0.23 0.00 0.00 176.35 176.16 2aff s LYS 83 N -0.20 0.99 -0.15 1.70 1.02 -1.26 -4.23 119.74 117.61 2aff s LYS 83 Ca 0.45 -1.11 -0.34 0.00 0.02 0.00 0.00 55.97 54.99 2aff s LYS 83 Cb -0.23 -1.07 -0.11 0.00 -0.52 0.00 0.00 37.83 35.90 2aff s LYS 83 CO 0.29 0.24 1.97 1.58 -0.92 0.00 0.00 175.35 178.51 2aff n HIS 84 N 1.02 2.17 0.00 3.18 -0.00 -1.26 -1.20 115.22 119.13 2aff n HIS 84 Ca -0.19 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 2aff n HIS 84 Cb 0.55 -2.65 0.00 0.00 -0.00 0.00 0.00 29.99 27.88 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 4.91 1.85 3.73 1.57 0.00 -0.88 -4.96 105.19 111.41 2aff n GLY 85 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.83 6.91 -0.10 1.61 1.01 -0.34 -4.81 116.67 119.12 2aff s ASP 86 Ca 0.00 2.35 -0.01 0.00 0.71 0.00 0.00 52.55 55.60 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 -0.04 0.54 0.21 0.00 0.00 175.17 175.35 2aff s VAL 87 N 0.35 3.95 -0.18 -1.27 0.11 -1.26 -1.81 120.40 120.30 2aff s VAL 87 Ca 0.58 -0.37 -0.07 0.00 -2.93 0.00 0.00 61.98 59.19 2aff s VAL 87 Cb -0.36 -2.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.79 2aff s VAL 87 CO 0.36 0.57 0.04 -0.63 -3.33 0.00 0.00 175.10 172.11 2aff s ILE 88 N -0.52 4.58 -0.10 7.04 1.01 -0.74 -1.28 121.20 131.20 2aff s ILE 88 Ca 0.08 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.66 2aff s ILE 88 Cb -0.12 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2aff s ILE 88 CO 0.02 0.47 -0.22 -0.89 0.00 0.00 0.00 174.94 174.32 2aff s THR 89 N 0.38 1.91 -0.17 2.92 2.01 0.23 -0.57 115.64 122.35 2aff s THR 89 Ca 0.01 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 2aff s THR 89 Cb -0.13 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.72 2aff s THR 89 CO 0.01 0.53 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.69 2aff s ILE 90 N 0.46 2.61 0.00 1.82 1.01 0.78 -2.24 121.20 125.63 2aff s ILE 90 Ca -0.17 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2aff s ILE 90 Cb -0.17 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.18 2aff s ILE 90 CO 0.07 0.51 0.00 -0.38 0.00 0.00 0.00 174.94 175.13 2aff n ILE 91 N 4.35 0.00 -0.75 2.92 2.08 -1.26 0.32 119.36 127.02 2aff n ILE 91 Ca -0.19 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.19 2aff n ILE 91 Cb 0.51 0.00 0.13 0.00 -0.75 0.00 0.00 39.64 39.53 2aff n ILE 91 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2aff n ASP 92 N 2.75 2.59 -4.12 4.38 -0.08 -1.26 -5.00 116.55 115.81 2aff n ASP 92 Ca 0.00 -2.75 -0.20 0.00 -1.51 0.00 0.00 54.79 50.33 2aff n ASP 92 Cb 0.00 -0.34 -0.14 0.00 2.34 0.00 0.00 41.12 42.98 2aff n ASP 92 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2aff s ARG 93 N -2.31 0.95 0.05 -0.67 3.52 0.97 -4.43 118.95 117.04 2aff s ARG 93 Ca 0.26 -0.66 -0.02 0.00 -0.13 0.00 0.00 55.73 55.18 2aff s ARG 93 Cb 0.22 -0.94 -0.03 0.00 -1.56 0.00 0.00 34.95 32.63 2aff s ARG 93 CO 0.04 0.24 -0.01 -1.12 -0.81 0.00 0.00 175.30 173.64 2aff s SER 94 N -0.89 0.43 -0.10 -2.12 0.01 -1.26 0.27 113.70 110.04 2aff s SER 94 Ca 0.02 -0.91 0.01 0.00 1.31 0.00 0.00 55.95 56.38 2aff s SER 94 Cb -0.07 0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.38 2aff s SER 94 CO 0.01 -0.58 -0.10 -0.36 0.41 0.00 0.00 173.24 172.62 2aff s PHE 95 N -3.64 1.60 0.04 2.43 0.08 0.26 -1.97 117.98 116.78 2aff s PHE 95 Ca 0.04 -0.76 -0.23 0.00 0.12 0.00 0.00 56.93 56.10 2aff s PHE 95 Cb 0.06 -1.25 -0.06 0.00 -0.57 0.00 0.00 43.02 41.20 2aff s PHE 95 CO -0.09 -0.46 0.70 1.03 -0.10 0.00 0.00 175.22 176.30 2aff s ARG 96 N 1.33 4.43 -0.23 0.44 0.52 -0.87 -1.79 118.95 122.79 2aff s ARG 96 Ca -0.01 0.95 -0.17 0.00 -0.52 0.00 0.00 55.73 55.98 2aff s ARG 96 Cb -0.14 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.96 2aff s ARG 96 CO -0.05 0.36 0.46 -0.47 0.02 0.00 0.00 175.30 175.62 2aff s TYR 97 N -0.28 3.33 -0.10 -0.53 5.04 -0.75 -2.20 117.35 121.85 2aff s TYR 97 Ca 0.35 0.63 0.02 0.00 -2.44 0.00 0.00 57.07 55.63 2aff s TYR 97 Cb -0.20 -2.62 0.01 0.00 0.35 0.00 0.00 41.96 39.50 2aff s TYR 97 CO 0.21 -0.14 -0.15 -2.00 -1.34 0.00 0.00 175.55 172.13 2aff s GLU 98 N 1.77 2.15 -0.37 4.97 2.12 -0.79 -2.08 118.70 126.47 2aff s GLU 98 Ca 0.20 -0.54 -0.07 0.00 0.36 0.00 0.00 54.97 54.92 2aff s GLU 98 Cb -0.15 -1.81 0.06 0.00 0.26 0.00 0.00 34.13 32.48 2aff s GLU 98 CO 0.09 -0.04 0.16 1.21 -0.54 0.00 0.00 175.26 176.14 2aff s ASN 99 N 0.92 5.41 0.00 -1.70 3.84 -1.26 -1.56 114.94 120.58 2aff s ASN 99 Ca -0.08 -1.35 0.24 0.00 0.21 0.00 0.00 52.86 51.89 2aff s ASN 99 Cb -0.15 -1.90 0.29 0.00 -0.55 0.00 0.00 41.25 38.93 2aff s ASN 99 CO -0.00 -0.41 1.31 1.21 -2.79 0.00 0.00 177.10 176.42