#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 0.57 -3.73 0.52 -1.04 -1.26 -4.96 114.28 104.38 2aff n THR 4 Ca 0.00 0.19 -0.36 0.00 -2.04 0.00 0.00 64.05 61.83 2aff n THR 4 Cb 0.00 -1.05 -0.07 0.00 -1.82 0.00 0.00 70.33 67.39 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 -1.69 3.85 0.03 -2.82 0.52 -1.26 -1.31 118.95 116.27 2aff s ARG 5 Ca 0.00 -0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.17 2aff s ARG 5 Cb 0.00 -3.30 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 2aff s ARG 5 CO 0.00 0.54 -0.05 1.03 0.02 0.00 0.00 175.30 176.83 2aff s ARG 6 N -0.37 0.44 -0.04 3.54 0.52 -0.67 -1.52 118.95 120.83 2aff s ARG 6 Ca 0.14 -0.71 0.05 0.00 -0.52 0.00 0.00 55.73 54.69 2aff s ARG 6 Cb -0.12 -0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.23 2aff s ARG 6 CO 0.03 0.00 -0.19 -0.51 0.02 0.00 0.00 175.30 174.65 2aff s LEU 7 N -1.58 2.46 -0.16 2.53 1.43 -1.00 -1.83 118.68 120.53 2aff s LEU 7 Ca -0.12 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2aff s LEU 7 Cb -0.09 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 2aff s LEU 7 CO -0.01 0.32 -0.06 -0.69 0.23 0.00 0.00 176.35 176.14 2aff s VAL 8 N -0.60 3.57 0.29 -1.59 1.01 -0.85 -0.16 120.40 122.07 2aff s VAL 8 Ca 0.09 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 2aff s VAL 8 Cb -0.11 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.62 2aff s VAL 8 CO 0.00 0.49 0.97 -0.89 0.00 0.00 0.00 175.10 175.67 2aff s THR 9 N 0.58 4.03 -0.08 3.92 2.01 -0.84 -1.64 115.64 123.63 2aff s THR 9 Ca -0.04 1.87 0.02 0.00 0.31 0.00 0.00 61.69 63.85 2aff s THR 9 Cb -0.15 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 2aff s THR 9 CO 0.03 0.32 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.50 2aff s ILE 10 N -1.38 3.05 0.49 1.82 1.01 -0.55 -2.33 121.20 123.30 2aff s ILE 10 Ca 0.46 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 2aff s ILE 10 Cb -0.24 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2aff s ILE 10 CO 0.30 0.56 0.80 -0.54 0.00 0.00 0.00 174.94 176.06 2aff s LYS 11 N -0.29 3.54 0.53 2.79 1.02 0.11 -4.21 119.74 123.24 2aff s LYS 11 Ca 0.02 0.23 0.21 0.00 0.02 0.00 0.00 55.97 56.45 2aff s LYS 11 Cb -0.13 -2.36 1.38 0.00 -0.52 0.00 0.00 37.83 36.20 2aff s LYS 11 CO 0.03 -0.23 2.10 0.00 -0.92 0.00 0.00 175.35 176.33 2aff h ARG 12 N 0.19 0.00 -0.00 1.68 3.08 -1.89 0.34 114.38 117.78 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 -0.04 0.43 -1.07 0.00 0.00 179.97 179.91 2aff n SER 13 N -4.37 0.04 -0.25 7.04 7.64 -1.26 -4.90 113.62 117.56 2aff n SER 13 Ca 0.02 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.26 2aff n SER 13 Cb 0.29 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2aff n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aff n GLY 14 N 1.48 0.95 3.22 0.23 0.00 0.12 -5.09 105.19 106.09 2aff n GLY 14 Ca 0.08 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.43 1.94 -0.05 1.61 1.01 -1.25 -4.85 120.40 116.39 2aff s VAL 15 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 2aff s VAL 15 Cb 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2aff s VAL 15 CO 0.00 0.54 1.21 -0.62 0.00 0.00 0.00 175.10 176.23 2aff s ASP 16 N 0.09 7.04 0.00 3.32 -1.08 -1.26 -0.71 116.67 124.07 2aff s ASP 16 Ca -0.10 1.84 0.00 0.00 -0.52 0.00 0.00 52.55 53.77 2aff s ASP 16 Cb -0.15 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 2aff s ASP 16 CO 0.06 -0.58 0.00 0.61 0.52 0.00 0.00 175.17 175.77 2aff n GLY 17 N 3.37 1.89 3.80 2.66 0.00 -0.99 -4.98 105.19 110.95 2aff n GLY 17 Ca 0.11 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 3.10 3.73 0.19 1.61 0.04 -1.26 -4.74 135.00 137.67 2aff s PRO 18 Ca 0.00 1.33 0.08 0.00 0.04 0.00 0.00 61.00 62.45 2aff s PRO 18 Cb 0.00 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2aff s PRO 18 CO 0.00 -0.49 0.01 -3.38 0.04 0.00 0.00 177.00 173.18 2aff s HIS 19 N -2.06 2.83 -0.45 0.56 -3.43 -1.26 -1.98 115.29 109.50 2aff s HIS 19 Ca 0.67 -0.15 0.03 0.00 -0.80 0.00 0.00 55.06 54.81 2aff s HIS 19 Cb -0.16 -1.35 0.12 0.00 -1.43 0.00 0.00 32.58 29.76 2aff s HIS 19 CO 0.23 0.54 0.19 0.12 -2.00 0.00 0.00 174.74 173.81 2aff s PHE 20 N -1.85 3.05 0.20 0.38 5.36 0.78 -4.96 117.98 120.93 2aff s PHE 20 Ca 0.28 -2.92 -0.32 0.00 -0.96 0.00 0.00 56.93 53.01 2aff s PHE 20 Cb -0.09 -2.63 -0.11 0.00 -0.34 0.00 0.00 43.02 39.85 2aff s PHE 20 CO 0.19 -0.81 1.66 -2.14 -1.46 0.00 0.00 175.22 172.66 2aff s PRO 21 N 0.24 4.16 -1.19 10.12 0.02 -1.26 -2.36 135.00 144.73 2aff s PRO 21 Ca 0.15 2.52 -0.17 0.00 0.02 0.00 0.00 61.00 63.53 2aff s PRO 21 Cb -0.23 -3.10 0.12 0.00 0.02 0.00 0.00 34.50 31.31 2aff s PRO 21 CO -0.04 -0.69 1.49 -0.51 -0.33 0.00 0.00 177.00 176.93 2aff s LEU 22 N 1.01 4.54 0.00 -5.54 1.43 -0.58 -4.68 118.68 114.86 2aff s LEU 22 Ca 0.72 -2.57 0.27 0.00 -1.03 0.00 0.00 54.13 51.52 2aff s LEU 22 Cb -0.47 -2.47 0.85 0.00 0.03 0.00 0.00 46.19 44.12 2aff s LEU 22 CO 0.33 -0.98 1.64 -1.54 0.23 0.00 0.00 176.35 176.03 2aff n SER 23 N 6.90 0.47 -4.69 2.29 3.41 -1.26 -4.62 113.62 116.11 2aff n SER 23 Ca 0.39 -0.26 -0.31 0.00 -0.26 0.00 0.00 58.87 58.43 2aff n SER 23 Cb 0.45 0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.33 2aff n SER 23 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2aff s LEU 24 N -2.81 3.52 0.50 1.04 1.43 -1.26 -5.01 118.68 116.09 2aff s LEU 24 Ca 0.17 -0.10 0.34 0.00 -1.03 0.00 0.00 54.13 53.51 2aff s LEU 24 Cb 0.19 -2.16 1.61 0.00 0.03 0.00 0.00 46.19 45.86 2aff s LEU 24 CO 0.59 0.21 2.01 -1.28 0.23 0.00 0.00 176.35 178.12 2aff h SER 25 N 3.76 0.00 -3.76 2.29 0.87 -1.91 -3.42 113.55 111.38 2aff h SER 25 Ca -0.48 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.75 2aff h SER 25 Cb 1.17 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.83 2aff h SER 25 CO 0.60 0.00 -0.75 -0.89 -0.53 0.00 0.00 176.83 175.26 2aff s THR 26 N -3.74 0.33 -0.09 2.23 2.01 -1.26 -0.94 115.64 114.18 2aff s THR 26 Ca -0.01 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.87 2aff s THR 26 Cb 0.10 -0.31 0.02 0.00 0.01 0.00 0.00 72.50 72.32 2aff s THR 26 CO 0.42 0.12 -0.09 0.00 -0.69 0.00 0.00 174.62 174.38 2aff s LEU 28 N 1.37 2.44 0.00 0.00 2.96 -1.26 0.18 118.68 124.37 2aff s LEU 28 Ca -0.01 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 2aff s LEU 28 Cb -0.14 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 2aff s LEU 28 CO -0.04 0.16 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.76 2aff s PHE 29 N 0.38 3.00 -5.00 5.38 0.40 0.23 0.75 117.98 123.10 2aff s PHE 29 Ca -0.14 0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 2aff s PHE 29 Cb -0.17 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.72 2aff s PHE 29 CO 0.07 0.42 0.00 0.41 0.70 0.00 0.00 175.22 176.82 2aff n GLY 30 N 1.47 0.16 0.10 4.36 0.00 -0.89 -2.53 105.19 107.86 2aff n GLY 30 Ca -0.15 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 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 5.20 0.14 -6.57 1.61 3.08 -1.43 -2.96 114.38 113.45 2aff h ARG 31 Ca 0.00 -0.20 -0.59 0.00 0.07 0.00 0.00 59.98 59.26 2aff h ARG 31 Cb 0.00 0.07 0.15 0.00 0.08 0.00 0.00 29.97 30.27 2aff h ARG 31 CO 0.00 1.04 -0.11 0.41 -1.07 0.00 0.00 179.97 180.24 2aff n GLY 32 N 1.22 -0.83 0.25 0.04 0.00 -1.06 -4.86 105.19 99.95 2aff n GLY 32 Ca -0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 0.86 1.27 0.00 -0.61 6.09 -1.91 -2.16 117.51 121.05 2aff h ILE 33 Ca -0.44 -1.19 0.00 0.00 -1.37 0.00 0.00 64.86 61.85 2aff h ILE 33 Cb 1.37 1.11 0.00 0.00 0.47 0.00 0.00 36.82 39.77 2aff h ILE 33 CO 0.52 0.41 0.29 -0.33 -3.07 0.00 0.00 178.15 175.97 2aff h GLU 34 N 0.70 0.00 -6.37 2.19 4.39 -1.97 -3.41 114.58 110.12 2aff h GLU 34 Ca 0.12 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.28 2aff h GLU 34 Cb 0.62 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.29 2aff h GLU 34 CO 0.04 0.00 1.16 0.00 -1.16 0.00 0.00 179.01 179.05 2aff h ASP 36 N 9.78 0.00 -3.21 0.00 3.32 0.09 -3.36 116.42 123.03 2aff h ASP 36 Ca -0.46 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.05 2aff h ASP 36 Cb 1.22 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.41 2aff h ASP 36 CO 0.94 0.00 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.02 2aff s ILE 37 N -5.02 1.17 -0.10 0.35 1.01 -0.13 -4.94 121.20 113.54 2aff s ILE 37 Ca -0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 2aff s ILE 37 Cb 0.18 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 2aff s ILE 37 CO 0.69 0.39 0.00 -0.13 0.00 0.00 0.00 174.94 175.88 2aff s ARG 38 N 1.46 3.14 -0.10 2.79 0.52 -1.26 -2.09 118.95 123.41 2aff s ARG 38 Ca 0.01 -0.42 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 2aff s ARG 38 Cb -0.13 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.50 2aff s ARG 38 CO -0.06 0.61 -0.23 0.42 0.02 0.00 0.00 175.30 176.06 2aff s ILE 39 N -0.63 2.00 -0.30 1.52 1.01 -1.12 -4.96 121.20 118.73 2aff s ILE 39 Ca 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2aff s ILE 39 Cb -0.12 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.61 2aff s ILE 39 CO 0.02 0.55 0.77 0.00 0.00 0.00 0.00 174.94 176.28 2aff n GLN 40 N 3.61 0.91 -3.33 2.79 6.02 -1.26 -4.53 117.38 121.60 2aff n GLN 40 Ca -0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.41 2aff n GLN 40 Cb 0.53 -1.17 -0.07 0.00 1.02 0.00 0.00 30.24 30.55 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 4.20 0.13 1.08 1.43 -1.26 -4.96 118.68 119.30 2aff s LEU 41 Ca 0.00 0.67 0.20 0.00 -1.03 0.00 0.00 54.13 53.97 2aff s LEU 41 Cb 0.00 -2.63 0.82 0.00 0.03 0.00 0.00 46.19 44.41 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 4.25 0.10 -0.22 1.29 -0.04 -1.26 -2.36 135.00 136.76 2aff n PRO 42 Ca -0.07 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 2aff n PRO 42 Cb 0.51 -1.69 0.23 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.88 0.58 -3.25 0.52 0.24 -1.26 -4.92 118.33 108.36 2aff n VAL 43 Ca 0.03 -0.79 -0.39 0.00 -2.04 0.00 0.00 64.34 61.16 2aff n VAL 43 Cb 0.22 0.91 -0.06 0.00 -1.47 0.00 0.00 33.84 33.44 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 -1.42 4.87 0.84 3.34 1.01 -0.99 -4.97 120.40 123.07 2aff s VAL 44 Ca 0.41 1.21 -0.11 0.00 0.00 0.00 0.00 61.98 63.49 2aff s VAL 44 Cb 0.23 -3.91 0.09 0.00 0.00 0.00 0.00 36.38 32.80 2aff s VAL 44 CO 0.32 0.47 1.10 -0.44 0.00 0.00 0.00 175.10 176.55 2aff s SER 45 N -0.49 3.89 0.18 3.32 0.01 -1.26 -4.58 113.70 114.77 2aff s SER 45 Ca 0.30 1.81 -0.12 0.00 1.31 0.00 0.00 55.95 59.25 2aff s SER 45 Cb -0.18 -2.45 0.10 0.00 0.21 0.00 0.00 66.02 63.70 2aff s SER 45 CO 0.17 -2.42 1.80 0.11 0.41 0.00 0.00 173.24 173.31 2aff h LYS 46 N -1.40 0.89 -0.00 12.44 1.57 -1.94 -2.56 116.57 125.58 2aff h LYS 46 Ca -0.45 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2aff h LYS 46 Cb 1.25 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2aff h LYS 46 CO 0.50 0.67 -0.13 1.04 -0.57 0.00 0.00 179.45 180.96 2aff n GLN 47 N -4.54 3.34 0.00 3.15 6.02 -1.26 -2.56 117.38 121.53 2aff n GLN 47 Ca 0.05 -0.30 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 2aff n GLN 47 Cb 0.09 -0.86 0.00 0.00 1.02 0.00 0.00 30.24 30.49 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 -0.59 0.00 -4.63 1.08 -0.00 -1.16 -3.94 115.22 105.99 2aff n HIS 48 Ca 0.02 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.95 2aff n HIS 48 Cb 0.09 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.80 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 0.39 1.97 -0.16 0.00 2.20 -1.00 0.75 119.74 123.88 2aff s LYS 50 Ca -0.09 -0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 54.99 2aff s LYS 50 Cb -0.13 -1.69 -0.03 0.00 -1.51 0.00 0.00 37.83 34.47 2aff s LYS 50 CO 0.03 -0.05 0.01 0.42 -0.36 0.00 0.00 175.35 175.40 2aff s ILE 51 N 0.94 4.29 -0.20 5.43 1.01 0.13 -0.11 121.20 132.69 2aff s ILE 51 Ca -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 2aff s ILE 51 Cb -0.15 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.43 2aff s ILE 51 CO -0.00 0.48 -0.14 -1.61 0.00 0.00 0.00 174.94 173.68 2aff s GLU 52 N 0.31 3.13 -0.30 2.79 2.02 0.44 -1.82 118.70 125.27 2aff s GLU 52 Ca -0.01 -0.76 -0.10 0.00 0.02 0.00 0.00 54.97 54.13 2aff s GLU 52 Cb -0.13 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.33 2aff s GLU 52 CO 0.02 -0.21 0.16 0.42 0.02 0.00 0.00 175.26 175.66 2aff s ILE 53 N 1.36 4.71 0.00 -1.63 1.01 -0.11 -0.54 121.20 126.01 2aff s ILE 53 Ca 0.05 -0.31 0.05 0.00 0.00 0.00 0.00 60.65 60.45 2aff s ILE 53 Cb -0.14 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 2aff s ILE 53 CO -0.09 0.11 -0.15 -1.00 0.00 0.00 0.00 174.94 173.80 2aff s HIS 54 N 1.64 2.64 0.58 3.97 3.76 0.92 -4.91 115.29 123.90 2aff s HIS 54 Ca 0.05 -0.20 0.32 0.00 -0.15 0.00 0.00 55.06 55.08 2aff s HIS 54 Cb -0.17 -1.55 1.09 0.00 1.11 0.00 0.00 32.58 33.06 2aff s HIS 54 CO 0.07 0.23 1.33 0.39 -0.85 0.00 0.00 174.74 175.91 2aff n GLU 55 N 1.87 0.01 0.03 1.40 -0.58 -1.26 0.32 120.64 122.43 2aff n GLU 55 Ca -0.16 1.01 -0.01 0.00 -0.42 0.00 0.00 57.16 57.58 2aff n GLU 55 Cb 0.52 -2.48 -0.01 0.00 -0.57 0.00 0.00 31.44 28.91 2aff n GLU 55 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2aff h GLN 56 N 0.00 -0.09 0.00 3.49 4.20 -2.01 -3.50 115.11 117.21 2aff h GLN 56 Ca 0.59 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.31 2aff h GLN 56 Cb 3.08 0.02 0.00 0.00 0.30 0.00 0.00 27.48 30.88 2aff h GLN 56 CO -0.01 -0.06 0.00 -0.85 -0.67 0.00 0.00 178.83 177.25 2aff n GLU 57 N -2.41 0.00 -4.69 1.46 -0.00 0.15 -5.16 120.64 109.98 2aff n GLU 57 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.16 56.82 2aff n GLU 57 Cb 0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 31.44 31.34 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2aff s ALA 58 N -1.12 2.71 -0.09 -1.84 0.00 -1.26 -0.05 121.76 120.10 2aff s ALA 58 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.13 2aff s ALA 58 Cb 0.00 -1.29 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 2aff s ALA 58 CO 0.00 0.25 -0.24 0.42 0.00 0.00 0.00 175.76 176.19 2aff s ILE 59 N 0.33 2.09 -0.23 0.00 1.01 0.30 0.14 121.20 124.83 2aff s ILE 59 Ca -0.09 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.44 2aff s ILE 59 Cb -0.15 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 2aff s ILE 59 CO 0.05 0.56 0.15 -0.22 0.00 0.00 0.00 174.94 175.48 2aff s LEU 60 N 0.27 4.12 -0.10 2.97 2.96 -0.00 -0.42 118.68 128.47 2aff s LEU 60 Ca -0.16 0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2aff s LEU 60 Cb -0.17 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 2aff s LEU 60 CO 0.08 0.08 -0.01 -1.00 -1.32 0.00 0.00 176.35 174.19 2aff s HIS 61 N 0.94 3.11 -0.45 5.38 3.76 0.85 -1.89 115.29 126.99 2aff s HIS 61 Ca 0.07 0.08 -0.15 0.00 -0.15 0.00 0.00 55.06 54.91 2aff s HIS 61 Cb -0.13 -1.83 0.05 0.00 1.11 0.00 0.00 32.58 31.79 2aff s HIS 61 CO 0.03 0.34 0.36 1.21 -0.85 0.00 0.00 174.74 175.84 2aff s ASN 62 N -0.57 6.14 0.00 1.40 2.47 -1.26 -2.39 114.94 120.72 2aff s ASN 62 Ca 0.09 -1.17 0.23 0.00 0.42 0.00 0.00 52.86 52.43 2aff s ASN 62 Cb -0.12 -2.18 0.02 0.00 -1.45 0.00 0.00 41.25 37.52 2aff s ASN 62 CO 0.02 -0.58 1.10 0.49 -3.72 0.00 0.00 177.10 174.41 2aff n PHE 63 N 5.20 0.00 -2.81 0.43 3.72 -0.99 -4.84 117.46 118.17 2aff n PHE 63 Ca -0.12 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.85 2aff n PHE 63 Cb 0.45 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.94 2aff n PHE 63 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2aff s SER 64 N -2.53 6.18 0.13 4.37 0.15 -1.24 -4.75 113.70 116.01 2aff s SER 64 Ca 0.18 -0.91 -0.07 0.00 0.70 0.00 0.00 55.95 55.84 2aff s SER 64 Cb 0.18 -2.44 -0.06 0.00 -1.71 0.00 0.00 66.02 61.98 2aff s SER 64 CO 0.60 -1.50 1.36 0.28 1.20 0.00 0.00 173.24 175.17 2aff h SER 65 N 9.64 0.73 -0.30 5.45 0.02 -1.96 -2.84 113.55 124.29 2aff h SER 65 Ca -0.28 -0.49 -0.08 0.00 -0.84 0.00 0.00 61.79 60.10 2aff h SER 65 Cb 1.07 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 2aff h SER 65 CO 1.20 1.26 -0.07 0.71 -1.14 0.00 0.00 176.83 178.79 2aff h THR 66 N 0.41 1.24 -1.61 -2.27 1.35 -2.00 -3.41 112.91 106.62 2aff h THR 66 Ca -0.05 -1.05 -0.18 0.00 -0.55 0.00 0.00 66.41 64.58 2aff h THR 66 Cb 1.39 1.01 -0.27 0.00 -1.73 0.00 0.00 68.15 68.54 2aff h THR 66 CO 0.15 0.36 -0.53 0.20 -0.25 0.00 0.00 175.52 175.44 2aff s ASN 67 N -6.70 0.13 0.56 5.36 0.01 -1.20 -5.15 114.94 107.95 2aff s ASN 67 Ca -0.09 -0.52 -0.21 0.00 -0.71 0.00 0.00 52.86 51.33 2aff s ASN 67 Cb 0.14 1.20 -0.04 0.00 0.41 0.00 0.00 41.25 42.96 2aff s ASN 67 CO 0.80 -0.32 1.31 -2.65 -1.51 0.00 0.00 177.10 174.73 2aff n PRO 68 N 5.14 1.54 -2.02 -0.60 -0.02 -1.07 -4.61 135.00 133.35 2aff n PRO 68 Ca 0.03 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 2aff n PRO 68 Cb 0.50 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 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 2.73 -0.03 3.45 2.01 -1.26 -4.66 115.64 116.55 2aff s THR 69 Ca 0.74 0.58 -0.10 0.00 0.31 0.00 0.00 61.69 63.22 2aff s THR 69 Cb -0.41 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 2aff s THR 69 CO 0.48 0.08 0.28 -1.10 -0.69 0.00 0.00 174.62 173.66 2aff s GLN 70 N 0.06 3.65 -0.04 4.92 -0.21 -0.85 -0.98 119.66 126.22 2aff s GLN 70 Ca 0.62 0.08 0.03 0.00 0.02 0.00 0.00 55.36 56.11 2aff s GLN 70 Cb -0.42 -3.16 0.00 0.00 1.00 0.00 0.00 33.01 30.44 2aff s GLN 70 CO 0.40 0.70 -0.12 0.54 -2.12 0.00 0.00 175.29 174.69 2aff s VAL 71 N -1.14 1.05 -1.17 1.09 0.11 0.45 0.99 120.40 121.78 2aff s VAL 71 Ca 0.22 -0.49 -0.05 0.00 -2.93 0.00 0.00 61.98 58.73 2aff s VAL 71 Cb -0.14 -0.92 0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2aff s VAL 71 CO 0.11 0.32 0.27 0.59 -3.33 0.00 0.00 175.10 173.06 2aff n ASN 72 N 3.33 -3.90 -0.79 3.54 3.02 -0.44 0.49 115.26 120.51 2aff n ASN 72 Ca -0.19 -0.10 -0.07 0.00 -0.03 0.00 0.00 54.58 54.18 2aff n ASN 72 Cb 0.53 -3.26 -0.01 0.00 -0.61 0.00 0.00 39.78 36.43 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 0.20 2.87 7.41 0.00 -1.26 -5.04 105.19 108.35 2aff n GLY 73 Ca -0.08 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.71 -0.01 0.42 1.61 0.15 0.18 -5.11 113.70 108.24 2aff s SER 74 Ca 0.00 0.02 -0.25 0.00 0.70 0.00 0.00 55.95 56.42 2aff s SER 74 Cb 0.00 0.01 -0.08 0.00 -1.71 0.00 0.00 66.02 64.24 2aff s SER 74 CO 0.00 -0.01 1.23 0.68 1.20 0.00 0.00 173.24 176.34 2aff s VAL 75 N 0.07 2.89 -0.38 4.45 -7.23 -1.26 0.17 120.40 119.10 2aff s VAL 75 Ca -0.01 0.74 -0.09 0.00 -1.81 0.00 0.00 61.98 60.81 2aff s VAL 75 Cb -0.01 -3.41 0.04 0.00 0.56 0.00 0.00 36.38 33.56 2aff s VAL 75 CO -0.00 0.07 0.20 -0.63 -0.31 0.00 0.00 175.10 174.42 2aff s ILE 76 N -1.37 4.29 0.08 -0.62 1.01 -0.15 -4.83 121.20 119.61 2aff s ILE 76 Ca 0.59 -1.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 2aff s ILE 76 Cb -0.34 -3.46 -0.23 0.00 0.01 0.00 0.00 42.46 38.44 2aff s ILE 76 CO 0.42 -0.29 1.20 -0.78 0.00 0.00 0.00 174.94 175.49 2aff h ASP 77 N 8.38 0.84 -3.14 3.58 3.58 -1.95 -3.41 116.42 124.31 2aff h ASP 77 Ca -0.24 -0.69 -0.50 0.00 0.42 0.00 0.00 57.03 56.02 2aff h ASP 77 Cb 1.09 -0.26 -0.14 0.00 1.72 0.00 0.00 39.33 41.75 2aff h ASP 77 CO 0.67 1.49 -0.57 -1.61 -2.88 0.00 0.00 179.24 176.34 2aff s GLU 78 N -3.26 1.76 0.46 0.28 2.02 -1.26 -4.94 118.70 113.75 2aff s GLU 78 Ca -0.09 -2.02 -0.24 0.00 0.02 0.00 0.00 54.97 52.64 2aff s GLU 78 Cb 0.07 -0.79 -0.09 0.00 0.10 0.00 0.00 34.13 33.43 2aff s GLU 78 CO 0.91 -0.30 1.29 -2.30 0.02 0.00 0.00 175.26 174.89 2aff n PRO 79 N -0.78 1.88 -4.36 0.39 -0.02 -1.26 -4.79 135.00 126.07 2aff n PRO 79 Ca -0.04 0.67 -0.19 0.00 -2.02 0.00 0.00 63.50 61.92 2aff n PRO 79 Cb 0.66 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.56 2aff n PRO 79 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2aff s VAL 80 N -1.23 0.71 0.09 -1.45 1.01 -0.79 -4.96 120.40 113.77 2aff s VAL 80 Ca 0.63 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 2aff s VAL 80 Cb -0.48 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 2aff s VAL 80 CO 0.56 0.21 1.18 -0.13 0.00 0.00 0.00 175.10 176.92 2aff s ARG 81 N -0.01 4.46 0.12 2.72 0.52 -1.26 -0.82 118.95 124.68 2aff s ARG 81 Ca 0.00 1.77 -0.27 0.00 -0.52 0.00 0.00 55.73 56.71 2aff s ARG 81 Cb -0.06 -3.33 -0.07 0.00 0.52 0.00 0.00 34.95 32.02 2aff s ARG 81 CO -0.00 -0.19 0.84 -0.51 0.02 0.00 0.00 175.30 175.46 2aff s LEU 82 N 0.72 4.53 0.10 2.53 1.43 0.36 -4.93 118.68 123.42 2aff s LEU 82 Ca 0.57 1.65 0.04 0.00 -1.03 0.00 0.00 54.13 55.35 2aff s LEU 82 Cb -0.30 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 2aff s LEU 82 CO 0.31 0.07 -0.11 -0.54 0.23 0.00 0.00 176.35 176.31 2aff s LYS 83 N -0.48 0.86 -0.15 1.70 1.02 -1.26 -4.38 119.74 117.05 2aff s LYS 83 Ca 0.40 -1.15 -0.34 0.00 0.02 0.00 0.00 55.97 54.90 2aff s LYS 83 Cb -0.23 -0.58 -0.11 0.00 -0.52 0.00 0.00 37.83 36.40 2aff s LYS 83 CO 0.27 0.09 1.97 1.58 -0.92 0.00 0.00 175.35 178.34 2aff n HIS 84 N 0.60 2.17 0.00 3.18 -0.00 -1.26 -0.80 115.22 119.11 2aff n HIS 84 Ca -0.16 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 2aff n HIS 84 Cb 0.57 -2.65 0.00 0.00 -0.00 0.00 0.00 29.99 27.91 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 1.61 3.70 1.57 0.00 -0.85 -4.98 105.19 111.14 2aff n GLY 85 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 6.82 -0.13 1.61 -1.08 0.02 -4.80 116.67 117.30 2aff s ASP 86 Ca 0.00 2.25 -0.03 0.00 -0.52 0.00 0.00 52.55 54.25 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 -0.69 -0.03 -0.69 0.52 0.00 0.00 175.17 174.27 2aff s VAL 87 N 1.71 3.95 -0.18 1.11 1.01 -1.26 -1.43 120.40 125.31 2aff s VAL 87 Ca 0.65 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 2aff s VAL 87 Cb -0.35 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2aff s VAL 87 CO 0.29 0.52 0.08 -0.63 0.00 0.00 0.00 175.10 175.37 2aff s ILE 88 N 0.04 5.00 -0.11 2.22 1.01 -0.44 -1.33 121.20 127.59 2aff s ILE 88 Ca 0.01 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.73 2aff s ILE 88 Cb -0.13 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.08 2aff s ILE 88 CO 0.03 0.47 -0.23 -0.89 0.00 0.00 0.00 174.94 174.32 2aff s THR 89 N 0.21 2.14 -0.08 2.92 2.01 0.28 -0.25 115.64 122.87 2aff s THR 89 Ca 0.06 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.11 2aff s THR 89 Cb -0.12 -1.83 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 2aff s THR 89 CO -0.00 0.56 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.64 2aff s ILE 90 N 0.39 2.34 -0.04 1.82 1.01 0.98 -2.00 121.20 125.70 2aff s ILE 90 Ca -0.17 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.53 2aff s ILE 90 Cb -0.18 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 2aff s ILE 90 CO 0.08 0.56 0.08 -0.38 0.00 0.00 0.00 174.94 175.28 2aff n ILE 91 N 3.18 0.00 0.00 2.92 5.41 -1.26 0.38 119.36 129.98 2aff n ILE 91 Ca -0.18 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2aff n ILE 91 Cb 0.52 -0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.45 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 0.23 0.00 -4.14 4.38 -0.08 -1.26 -5.02 116.55 110.66 2aff n ASP 92 Ca 0.03 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.11 2aff n ASP 92 Cb 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 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 -0.55 0.90 0.03 -0.67 0.52 1.20 -4.30 118.95 116.09 2aff s ARG 93 Ca 0.00 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 2aff s ARG 93 Cb 0.00 -0.90 -0.02 0.00 0.52 0.00 0.00 34.95 34.54 2aff s ARG 93 CO 0.00 0.22 -0.04 0.45 0.02 0.00 0.00 175.30 175.95 2aff s SER 94 N -1.17 0.45 -0.09 0.23 0.15 -1.26 0.33 113.70 112.34 2aff s SER 94 Ca 0.01 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.08 2aff s SER 94 Cb -0.08 0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.34 2aff s SER 94 CO 0.01 -0.33 -0.15 -0.36 1.20 0.00 0.00 173.24 173.61 2aff s PHE 95 N -1.86 1.89 0.04 3.44 0.40 0.66 -1.49 117.98 121.06 2aff s PHE 95 Ca -0.10 -0.82 -0.20 0.00 -0.60 0.00 0.00 56.93 55.20 2aff s PHE 95 Cb -0.07 -1.35 -0.06 0.00 0.51 0.00 0.00 43.02 42.04 2aff s PHE 95 CO -0.02 -0.41 0.58 1.03 0.70 0.00 0.00 175.22 177.10 2aff s ARG 96 N 0.82 4.25 -0.28 0.44 0.52 -0.65 -1.33 118.95 122.73 2aff s ARG 96 Ca -0.10 0.74 -0.16 0.00 -0.52 0.00 0.00 55.73 55.69 2aff s ARG 96 Cb -0.16 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 2aff s ARG 96 CO 0.01 0.53 0.41 -0.47 0.02 0.00 0.00 175.30 175.81 2aff s TYR 97 N -0.75 3.24 -0.15 -0.53 5.04 -0.52 -2.01 117.35 121.68 2aff s TYR 97 Ca 0.30 0.42 0.01 0.00 -2.44 0.00 0.00 57.07 55.35 2aff s TYR 97 Cb -0.19 -2.64 0.02 0.00 0.35 0.00 0.00 41.96 39.50 2aff s TYR 97 CO 0.18 -0.27 -0.16 -1.21 -1.34 0.00 0.00 175.55 172.75 2aff s GLU 98 N 2.14 2.51 -0.34 4.97 2.02 -0.76 -2.01 118.70 127.23 2aff s GLU 98 Ca 0.16 -0.64 -0.10 0.00 0.02 0.00 0.00 54.97 54.41 2aff s GLU 98 Cb -0.16 -2.22 0.01 0.00 0.10 0.00 0.00 34.13 31.87 2aff s GLU 98 CO 0.10 -0.20 0.17 1.21 0.02 0.00 0.00 175.26 176.57 2aff s ASN 99 N 1.34 5.61 0.00 -0.19 3.84 -1.26 -1.68 114.94 122.60 2aff s ASN 99 Ca 0.03 -0.76 0.10 0.00 0.21 0.00 0.00 52.86 52.44 2aff s ASN 99 Cb -0.13 -2.00 0.59 0.00 -0.55 0.00 0.00 41.25 39.15 2aff s ASN 99 CO -0.10 -0.28 1.04 -0.62 -2.79 0.00 0.00 177.10 174.34