#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 2.17 -2.85 3.45 -2.24 -1.26 -4.92 114.28 108.62 2aff n THR 4 Ca 0.00 -2.61 -0.42 0.00 -2.27 0.00 0.00 64.05 58.75 2aff n THR 4 Cb 0.00 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 67.94 2aff n THR 4 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2aff s ARG 5 N -3.06 4.29 -0.03 -0.78 0.52 -1.26 -2.01 118.95 116.62 2aff s ARG 5 Ca 0.38 1.07 0.04 0.00 -0.52 0.00 0.00 55.73 56.70 2aff s ARG 5 Cb 0.34 -3.58 -0.00 0.00 0.52 0.00 0.00 34.95 32.22 2aff s ARG 5 CO 0.00 -0.37 -0.15 1.03 0.02 0.00 0.00 175.30 175.82 2aff s ARG 6 N 2.29 1.52 -0.13 3.54 0.52 -0.79 -1.87 118.95 124.04 2aff s ARG 6 Ca 0.39 -0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 55.05 2aff s ARG 6 Cb -0.16 -1.37 -0.02 0.00 0.52 0.00 0.00 34.95 33.92 2aff s ARG 6 CO 0.12 0.25 -0.10 -1.17 0.02 0.00 0.00 175.30 174.41 2aff s LEU 7 N -0.04 2.87 -0.17 2.53 2.96 -0.82 -2.27 118.68 123.75 2aff s LEU 7 Ca -0.01 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 2aff s LEU 7 Cb -0.10 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2aff s LEU 7 CO 0.01 0.18 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.52 2aff s VAL 8 N 0.28 4.05 0.29 1.68 1.01 -0.82 -0.36 120.40 126.54 2aff s VAL 8 Ca -0.08 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.35 2aff s VAL 8 Cb -0.15 -2.79 -0.09 0.00 0.00 0.00 0.00 36.38 33.34 2aff s VAL 8 CO 0.05 0.48 0.90 -0.89 0.00 0.00 0.00 175.10 175.64 2aff s THR 9 N 0.46 4.26 -0.10 3.92 2.01 -0.89 -1.56 115.64 123.73 2aff s THR 9 Ca -0.02 1.76 0.00 0.00 0.31 0.00 0.00 61.69 63.74 2aff s THR 9 Cb -0.14 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.33 2aff s THR 9 CO 0.02 0.20 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.43 2aff s ILE 10 N -1.55 3.45 0.38 1.82 -1.09 -0.26 -1.91 121.20 122.04 2aff s ILE 10 Ca 0.48 -0.55 -0.05 0.00 -2.23 0.00 0.00 60.65 58.30 2aff s ILE 10 Cb -0.19 -2.43 -0.05 0.00 -1.58 0.00 0.00 42.46 38.21 2aff s ILE 10 CO 0.24 0.55 0.67 -0.54 -1.23 0.00 0.00 174.94 174.63 2aff s LYS 11 N -0.23 3.61 0.63 2.79 1.02 -0.53 -4.23 119.74 122.79 2aff s LYS 11 Ca 0.02 0.10 0.36 0.00 0.02 0.00 0.00 55.97 56.47 2aff s LYS 11 Cb -0.13 -2.52 2.03 0.00 -0.52 0.00 0.00 37.83 36.69 2aff s LYS 11 CO 0.03 0.02 2.24 0.00 -0.92 0.00 0.00 175.35 176.72 2aff h ARG 12 N 0.98 0.00 -0.00 1.68 3.08 -1.90 0.37 114.38 118.59 2aff h ARG 12 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 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 0.63 0.00 -0.24 0.43 -1.07 0.00 0.00 179.97 179.72 2aff n SER 13 N -3.41 0.28 -0.29 7.04 7.64 -1.26 -4.93 113.62 118.69 2aff n SER 13 Ca -0.02 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2aff n SER 13 Cb 0.16 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.96 3.14 0.23 0.00 0.13 -5.09 105.19 106.04 2aff n GLY 14 Ca 0.07 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.57 1.44 0.02 1.61 1.01 -1.25 -4.88 120.40 115.79 2aff s VAL 15 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 2aff s VAL 15 Cb 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 2aff s VAL 15 CO 0.00 0.41 1.54 -0.62 0.00 0.00 0.00 175.10 176.43 2aff s ASP 16 N 0.03 6.72 0.00 3.32 -1.08 -1.26 -1.45 116.67 122.94 2aff s ASP 16 Ca -0.04 2.29 0.00 0.00 -0.52 0.00 0.00 52.55 54.28 2aff s ASP 16 Cb -0.11 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 2aff s ASP 16 CO 0.02 -0.82 0.00 0.61 0.52 0.00 0.00 175.17 175.51 2aff n GLY 17 N 3.85 1.60 3.79 2.66 0.00 -0.80 -4.97 105.19 111.31 2aff n GLY 17 Ca 0.15 0.00 -0.36 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 3.48 4.15 -0.05 1.61 0.04 -1.26 -4.72 135.00 138.25 2aff s PRO 18 Ca 0.00 1.46 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 2aff s PRO 18 Cb 0.00 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 2aff s PRO 18 CO 0.00 -0.14 0.03 -1.01 0.04 0.00 0.00 177.00 175.92 2aff s HIS 19 N -1.73 3.20 -0.30 0.56 3.76 -1.26 -2.10 115.29 117.42 2aff s HIS 19 Ca 0.59 0.20 0.01 0.00 -0.15 0.00 0.00 55.06 55.70 2aff s HIS 19 Cb -0.20 -1.76 0.07 0.00 1.11 0.00 0.00 32.58 31.80 2aff s HIS 19 CO 0.25 0.50 -0.01 0.12 -0.85 0.00 0.00 174.74 174.76 2aff s PHE 20 N -1.00 3.41 0.03 1.40 5.36 0.52 -4.97 117.98 122.72 2aff s PHE 20 Ca 0.17 -2.35 -0.30 0.00 -0.96 0.00 0.00 56.93 53.49 2aff s PHE 20 Cb -0.12 -2.33 -0.06 0.00 -0.34 0.00 0.00 43.02 40.18 2aff s PHE 20 CO 0.07 -0.88 1.30 -1.25 -1.46 0.00 0.00 175.22 173.00 2aff s PRO 21 N 1.11 4.35 -0.33 10.12 0.04 -1.26 -1.94 135.00 147.07 2aff s PRO 21 Ca -0.02 1.87 -0.02 0.00 0.04 0.00 0.00 61.00 62.87 2aff s PRO 21 Cb -0.20 -3.44 0.13 0.00 0.04 0.00 0.00 34.50 31.02 2aff s PRO 21 CO -0.04 -0.43 2.37 1.28 0.04 0.00 0.00 177.00 180.21 2aff n LEU 22 N 4.65 6.36 0.29 -3.56 4.77 -0.78 -4.43 117.00 124.31 2aff n LEU 22 Ca 0.11 -3.52 0.19 0.00 -0.03 0.00 0.00 56.01 52.76 2aff n LEU 22 Cb 0.45 -1.14 0.82 0.00 -2.33 0.00 0.00 43.42 41.22 2aff n LEU 22 CO 0.57 1.42 1.04 0.77 -1.33 0.00 0.00 177.39 179.86 2aff h SER 23 N 2.06 0.00 -3.91 -1.43 4.64 -1.91 -3.43 113.55 109.55 2aff h SER 23 Ca 0.31 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.14 2aff h SER 23 Cb 0.89 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.00 2aff h SER 23 CO 0.74 0.00 0.44 -0.76 -0.87 0.00 0.00 176.83 176.38 2aff s LEU 24 N -6.12 4.26 0.58 5.97 1.43 -1.26 -4.92 118.68 118.62 2aff s LEU 24 Ca -0.00 2.14 0.28 0.00 -1.03 0.00 0.00 54.13 55.51 2aff s LEU 24 Cb 0.10 -4.01 1.67 0.00 0.03 0.00 0.00 46.19 43.98 2aff s LEU 24 CO 0.50 -0.42 2.15 0.77 0.23 0.00 0.00 176.35 179.59 2aff h SER 25 N 2.89 0.00 -3.71 2.29 4.64 -1.91 -3.42 113.55 114.32 2aff h SER 25 Ca -0.48 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.61 2aff h SER 25 Cb 1.22 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.02 2aff h SER 25 CO 0.64 0.00 -0.67 -0.89 -0.87 0.00 0.00 176.83 175.04 2aff s THR 26 N -4.69 -0.01 -0.11 2.95 2.01 -1.26 -0.86 115.64 113.67 2aff s THR 26 Ca -0.05 0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2aff s THR 26 Cb 0.16 -0.08 0.02 0.00 0.01 0.00 0.00 72.50 72.61 2aff s THR 26 CO 0.57 0.01 -0.09 0.00 -0.69 0.00 0.00 174.62 174.42 2aff s LEU 28 N 1.50 2.12 -0.12 0.00 2.96 -1.26 -0.58 118.68 123.31 2aff s LEU 28 Ca 0.02 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.33 2aff s LEU 28 Cb -0.13 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 2aff s LEU 28 CO -0.07 0.15 0.05 -0.36 -1.32 0.00 0.00 176.35 174.80 2aff s PHE 29 N 0.40 3.28 -4.11 5.38 0.40 0.99 -0.02 117.98 124.30 2aff s PHE 29 Ca -0.17 0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.38 2aff s PHE 29 Cb -0.18 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.46 2aff s PHE 29 CO 0.07 0.43 0.00 0.41 0.70 0.00 0.00 175.22 176.84 2aff n GLY 30 N 2.49 -1.14 0.09 4.36 0.00 -0.85 -2.44 105.19 107.70 2aff n GLY 30 Ca -0.18 -1.12 -0.04 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 -0.93 -3.02 114.38 108.25 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 0.48 0.16 0.41 -1.07 0.00 0.00 179.97 179.95 2aff n GLY 32 N 1.44 -0.24 0.25 0.04 0.00 -1.08 -4.89 105.19 100.71 2aff n GLY 32 Ca -0.10 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 0.44 1.28 -0.09 -0.61 6.09 -1.92 -2.51 117.51 120.20 2aff h ILE 33 Ca -0.49 -1.30 0.03 0.00 -1.37 0.00 0.00 64.86 61.72 2aff h ILE 33 Cb 1.36 1.24 -0.00 0.00 0.47 0.00 0.00 36.82 39.89 2aff h ILE 33 CO 0.51 0.44 0.15 -0.08 -3.07 0.00 0.00 178.15 176.10 2aff h GLU 34 N 0.67 0.00 -6.43 2.19 4.81 -1.97 -3.42 114.58 110.43 2aff h GLU 34 Ca 0.10 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.74 2aff h GLU 34 Cb 0.73 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.15 2aff h GLU 34 CO 0.06 0.00 0.95 0.00 -0.73 0.00 0.00 179.01 179.28 2aff h ASP 36 N 7.39 0.36 -3.16 0.00 3.32 -0.70 -3.38 116.42 120.25 2aff h ASP 36 Ca -0.46 -0.02 -0.61 0.00 0.02 0.00 0.00 57.03 55.95 2aff h ASP 36 Cb 1.25 -0.09 -0.35 0.00 0.22 0.00 0.00 39.33 40.36 2aff h ASP 36 CO 0.92 0.31 -0.84 -0.63 -1.72 0.00 0.00 179.24 177.28 2aff s ILE 37 N -5.26 1.63 -0.08 0.35 1.01 -0.22 -4.94 121.20 113.69 2aff s ILE 37 Ca -0.07 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2aff s ILE 37 Cb 0.17 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 2aff s ILE 37 CO 0.72 0.47 -0.06 -0.13 0.00 0.00 0.00 174.94 175.95 2aff s ARG 38 N 1.28 2.86 -0.09 2.79 0.52 -1.26 -2.01 118.95 123.04 2aff s ARG 38 Ca 0.01 -0.53 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 2aff s ARG 38 Cb -0.14 -2.65 -0.00 0.00 0.52 0.00 0.00 34.95 32.69 2aff s ARG 38 CO -0.08 0.63 -0.24 0.42 0.02 0.00 0.00 175.30 176.06 2aff s ILE 39 N -0.72 2.02 0.00 1.52 1.01 -1.14 -4.99 121.20 118.91 2aff s ILE 39 Ca 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2aff s ILE 39 Cb -0.11 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.61 2aff s ILE 39 CO 0.02 0.55 1.55 0.00 0.00 0.00 0.00 174.94 177.06 2aff n GLN 40 N 3.47 0.99 -4.75 2.79 10.64 -1.26 -4.71 117.38 124.55 2aff n GLN 40 Ca -0.19 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.65 2aff n GLN 40 Cb 0.53 -1.01 -0.13 0.00 -0.86 0.00 0.00 30.24 28.77 2aff n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2aff s LEU 41 N 0.00 2.86 0.00 2.61 1.43 -1.26 -5.00 118.68 119.31 2aff s LEU 41 Ca 0.00 -0.21 0.16 0.00 -1.03 0.00 0.00 54.13 53.05 2aff s LEU 41 Cb 0.00 -1.62 0.67 0.00 0.03 0.00 0.00 46.19 45.27 2aff s LEU 41 CO 0.00 0.26 1.49 -0.81 0.23 0.00 0.00 176.35 177.53 2aff n PRO 42 N 2.88 0.01 -0.06 1.29 -0.04 -1.26 -2.40 135.00 135.42 2aff n PRO 42 Ca -0.18 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 2aff n PRO 42 Cb 0.53 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.49 0.17 -3.15 0.52 0.24 -1.26 -4.88 118.33 108.47 2aff n VAL 43 Ca 0.04 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.45 2aff n VAL 43 Cb 0.18 1.00 -0.05 0.00 -1.47 0.00 0.00 33.84 33.50 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 -1.83 5.01 0.82 3.34 1.01 -1.01 -4.96 120.40 122.78 2aff s VAL 44 Ca 0.33 1.29 -0.12 0.00 0.00 0.00 0.00 61.98 63.49 2aff s VAL 44 Cb 0.21 -3.96 0.09 0.00 0.00 0.00 0.00 36.38 32.71 2aff s VAL 44 CO 0.31 0.33 1.14 -0.44 0.00 0.00 0.00 175.10 176.44 2aff s SER 45 N 0.38 3.76 0.20 3.32 0.01 -1.26 -4.48 113.70 115.63 2aff s SER 45 Ca 0.33 2.12 -0.10 0.00 1.31 0.00 0.00 55.95 59.61 2aff s SER 45 Cb -0.18 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.63 2aff s SER 45 CO 0.16 -2.54 1.82 0.11 0.41 0.00 0.00 173.24 173.21 2aff h LYS 46 N -1.21 1.01 0.00 12.44 1.57 -1.92 -1.72 116.57 126.75 2aff h LYS 46 Ca -0.44 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2aff h LYS 46 Cb 1.26 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 2aff h LYS 46 CO 0.47 0.74 -1.23 1.04 -0.57 0.00 0.00 179.45 179.90 2aff n GLN 47 N -4.48 0.22 0.00 3.15 1.13 -1.26 -2.39 117.38 113.75 2aff n GLN 47 Ca 0.06 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2aff n GLN 47 Cb 0.08 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.31 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 -1.68 0.00 -4.57 1.08 -0.00 -1.10 -3.93 115.22 105.01 2aff n HIS 48 Ca -0.01 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.94 2aff n HIS 48 Cb 0.14 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.85 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 0.29 2.21 -0.07 0.00 2.20 -0.61 -0.01 119.74 123.76 2aff s LYS 50 Ca -0.07 -0.69 0.05 0.00 -0.36 0.00 0.00 55.97 54.90 2aff s LYS 50 Cb -0.12 -1.82 -0.01 0.00 -1.51 0.00 0.00 37.83 34.38 2aff s LYS 50 CO 0.02 0.22 -0.24 0.42 -0.36 0.00 0.00 175.35 175.40 2aff s ILE 51 N 0.19 2.14 -0.14 5.43 1.01 0.26 -0.20 121.20 129.89 2aff s ILE 51 Ca -0.09 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.54 2aff s ILE 51 Cb -0.14 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 2aff s ILE 51 CO 0.04 0.57 -0.16 -1.61 0.00 0.00 0.00 174.94 173.79 2aff s GLU 52 N -0.08 3.26 -0.41 2.79 2.02 -0.79 -2.25 118.70 123.25 2aff s GLU 52 Ca -0.06 -0.74 -0.15 0.00 0.02 0.00 0.00 54.97 54.04 2aff s GLU 52 Cb -0.14 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.53 2aff s GLU 52 CO 0.05 0.12 0.29 0.42 0.02 0.00 0.00 175.26 176.16 2aff s ILE 53 N 0.55 5.18 -0.10 -1.63 -1.09 -0.04 -2.02 121.20 122.06 2aff s ILE 53 Ca -0.10 -0.70 -0.00 0.00 -2.23 0.00 0.00 60.65 57.63 2aff s ILE 53 Cb -0.16 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 2aff s ILE 53 CO 0.04 -0.31 -0.08 -1.00 -1.23 0.00 0.00 174.94 172.35 2aff s HIS 54 N 1.66 2.90 0.47 3.97 3.76 0.27 -4.92 115.29 123.41 2aff s HIS 54 Ca 0.05 -0.23 0.35 0.00 -0.15 0.00 0.00 55.06 55.08 2aff s HIS 54 Cb -0.19 -1.79 1.51 0.00 1.11 0.00 0.00 32.58 33.22 2aff s HIS 54 CO 0.10 0.10 1.62 0.93 -0.85 0.00 0.00 174.74 176.63 2aff h GLU 55 N 5.95 0.05 0.23 1.40 5.08 -2.01 0.25 114.58 125.53 2aff h GLU 55 Ca -0.39 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 2aff h GLU 55 Cb 1.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2aff h GLU 55 CO 0.55 0.03 -0.11 0.37 -1.00 0.00 0.00 179.01 178.86 2aff h GLN 56 N 0.05 -0.30 0.00 2.33 5.75 -2.01 -3.49 115.11 117.44 2aff h GLN 56 Ca 0.84 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 59.36 2aff h GLN 56 Cb 2.85 0.07 0.00 0.00 1.07 0.00 0.00 27.48 31.47 2aff h GLN 56 CO -0.31 -0.20 0.00 -0.85 -2.65 0.00 0.00 178.83 174.82 2aff n GLU 57 N -2.98 0.00 -5.03 1.69 0.28 0.86 -5.16 120.64 110.30 2aff n GLU 57 Ca -0.04 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.64 2aff n GLU 57 Cb 0.12 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.83 2aff n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2aff s ALA 58 N -1.22 2.36 -0.11 -1.84 0.00 -1.26 -0.57 121.76 119.13 2aff s ALA 58 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.05 2aff s ALA 58 Cb 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 2aff s ALA 58 CO 0.00 0.27 -0.19 0.42 0.00 0.00 0.00 175.76 176.25 2aff s ILE 59 N 0.35 2.48 -0.16 0.00 1.01 -0.86 0.94 121.20 124.96 2aff s ILE 59 Ca -0.15 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.47 2aff s ILE 59 Cb -0.17 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2aff s ILE 59 CO 0.08 0.55 0.34 -0.22 0.00 0.00 0.00 174.94 175.68 2aff s LEU 60 N 0.29 4.23 -0.10 2.97 2.96 -0.09 -1.88 118.68 127.06 2aff s LEU 60 Ca -0.14 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 2aff s LEU 60 Cb -0.17 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.06 2aff s LEU 60 CO 0.07 0.05 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.00 2aff s HIS 61 N 0.64 2.72 -0.45 5.38 3.76 0.72 -1.96 115.29 126.10 2aff s HIS 61 Ca 0.18 -0.54 -0.17 0.00 -0.15 0.00 0.00 55.06 54.37 2aff s HIS 61 Cb -0.14 -1.75 0.04 0.00 1.11 0.00 0.00 32.58 31.85 2aff s HIS 61 CO 0.05 -0.11 0.48 1.21 -0.85 0.00 0.00 174.74 175.52 2aff s ASN 62 N -0.02 6.20 0.00 1.40 3.84 -1.26 -1.57 114.94 123.52 2aff s ASN 62 Ca -0.04 -0.82 0.23 0.00 0.21 0.00 0.00 52.86 52.44 2aff s ASN 62 Cb -0.14 -2.23 0.09 0.00 -0.55 0.00 0.00 41.25 38.41 2aff s ASN 62 CO 0.04 -0.66 1.13 0.49 -2.79 0.00 0.00 177.10 175.31 2aff n PHE 63 N 5.68 0.00 -2.36 0.43 3.01 0.12 -4.82 117.46 119.51 2aff n PHE 63 Ca -0.08 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.99 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 -1.54 1.01 0.00 0.00 176.76 176.23 2aff s SER 64 N -2.70 5.87 0.09 4.37 1.04 -0.07 -4.55 113.70 117.74 2aff s SER 64 Ca 0.15 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2aff s SER 64 Cb 0.18 -2.55 -0.25 0.00 0.10 0.00 0.00 66.02 63.49 2aff s SER 64 CO 0.67 -2.02 1.17 0.28 0.98 0.00 0.00 173.24 174.32 2aff h SER 65 N 11.53 0.25 -0.13 7.02 0.02 -1.91 -3.07 113.55 127.27 2aff h SER 65 Ca -0.18 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 2aff h SER 65 Cb 1.07 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.53 2aff h SER 65 CO 1.28 1.21 0.01 0.74 -1.14 0.00 0.00 176.83 178.93 2aff h THR 66 N 0.04 1.23 -2.94 -2.27 2.02 -2.00 -3.41 112.91 105.58 2aff h THR 66 Ca -0.09 -0.74 -0.53 0.00 0.77 0.00 0.00 66.41 65.82 2aff h THR 66 Cb 1.90 1.48 -0.40 0.00 -1.74 0.00 0.00 68.15 69.38 2aff h THR 66 CO 0.17 0.21 -0.77 0.20 0.37 0.00 0.00 175.52 175.71 2aff s ASN 67 N -5.68 3.46 0.50 4.18 0.01 -1.24 -5.14 114.94 111.03 2aff s ASN 67 Ca -0.14 -1.25 -0.22 0.00 -0.71 0.00 0.00 52.86 50.54 2aff s ASN 67 Cb 0.06 -0.47 -0.08 0.00 0.41 0.00 0.00 41.25 41.17 2aff s ASN 67 CO 0.70 -0.41 1.08 -2.65 -1.51 0.00 0.00 177.10 174.31 2aff n PRO 68 N 5.15 1.32 -2.49 -0.60 -0.02 -1.16 -4.61 135.00 132.58 2aff n PRO 68 Ca -0.05 0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 61.51 2aff n PRO 68 Cb 0.43 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.36 3.53 -0.10 3.45 2.01 -1.26 -4.84 115.64 117.07 2aff s THR 69 Ca 0.68 1.51 -0.04 0.00 0.31 0.00 0.00 61.69 64.15 2aff s THR 69 Cb -0.48 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2aff s THR 69 CO 0.53 0.33 0.05 -1.10 -0.69 0.00 0.00 174.62 173.73 2aff s GLN 70 N -1.55 3.21 -0.04 4.92 -0.21 -0.59 -1.34 119.66 124.07 2aff s GLN 70 Ca 0.46 -0.32 0.02 0.00 0.02 0.00 0.00 55.36 55.54 2aff s GLN 70 Cb -0.31 -2.95 0.01 0.00 1.00 0.00 0.00 33.01 30.77 2aff s GLN 70 CO 0.39 0.68 -0.09 0.08 -2.12 0.00 0.00 175.29 174.24 2aff s VAL 71 N -0.81 0.80 -1.37 1.09 1.01 0.30 0.18 120.40 121.60 2aff s VAL 71 Ca 0.13 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 2aff s VAL 71 Cb -0.12 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.55 2aff s VAL 71 CO 0.03 0.26 0.36 0.59 0.00 0.00 0.00 175.10 176.34 2aff n ASN 72 N 3.60 -4.76 -0.86 3.32 3.02 -0.35 -0.66 115.26 118.57 2aff n ASN 72 Ca -0.21 -0.18 -0.08 0.00 -0.03 0.00 0.00 54.58 54.09 2aff n ASN 72 Cb 0.53 -3.93 -0.01 0.00 -0.61 0.00 0.00 39.78 35.76 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 -1.18 0.12 3.18 7.41 0.00 -1.26 -5.03 105.19 108.42 2aff n GLY 73 Ca -0.10 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.67 -0.30 0.41 1.61 0.15 0.16 -5.11 113.70 107.96 2aff s SER 74 Ca 0.00 0.56 -0.25 0.00 0.70 0.00 0.00 55.95 56.96 2aff s SER 74 Cb 0.00 0.58 -0.08 0.00 -1.71 0.00 0.00 66.02 64.81 2aff s SER 74 CO 0.00 -0.11 1.21 0.54 1.20 0.00 0.00 173.24 176.08 2aff s VAL 75 N 0.09 2.95 -0.47 4.45 0.11 -1.26 0.11 120.40 126.39 2aff s VAL 75 Ca -0.01 0.80 0.02 0.00 -2.93 0.00 0.00 61.98 59.87 2aff s VAL 75 Cb -0.02 -3.45 0.12 0.00 -1.53 0.00 0.00 36.38 31.50 2aff s VAL 75 CO 0.01 0.07 0.21 0.27 -3.33 0.00 0.00 175.10 172.33 2aff s ILE 76 N -1.38 2.73 0.22 7.04 -4.36 -0.45 -4.86 121.20 120.14 2aff s ILE 76 Ca 0.58 -2.83 0.26 0.00 -0.26 0.00 0.00 60.65 58.40 2aff s ILE 76 Cb -0.33 -2.90 0.26 0.00 1.25 0.00 0.00 42.46 40.74 2aff s ILE 76 CO 0.41 -0.74 1.91 -2.24 0.24 0.00 0.00 174.94 174.53 2aff h ASP 77 N 7.09 0.00 -2.50 4.36 2.03 -1.95 -3.42 116.42 122.03 2aff h ASP 77 Ca -0.06 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.69 2aff h ASP 77 Cb 0.96 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.32 2aff h ASP 77 CO 0.64 0.19 -0.60 -1.61 -1.03 0.00 0.00 179.24 176.82 2aff s GLU 78 N -3.81 1.80 0.57 4.15 2.02 -1.26 -4.94 118.70 117.23 2aff s GLU 78 Ca -0.00 -2.01 -0.21 0.00 0.02 0.00 0.00 54.97 52.77 2aff s GLU 78 Cb 0.11 -1.23 -0.04 0.00 0.10 0.00 0.00 34.13 33.07 2aff s GLU 78 CO 0.61 -0.12 1.34 -2.14 0.02 0.00 0.00 175.26 174.97 2aff s PRO 79 N -3.81 3.01 -0.00 0.39 0.02 -1.26 -4.74 135.00 128.60 2aff s PRO 79 Ca 0.36 2.19 0.01 0.00 0.02 0.00 0.00 61.00 63.57 2aff s PRO 79 Cb 0.09 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.46 2aff s PRO 79 CO 0.17 -1.28 -0.02 0.14 -0.33 0.00 0.00 177.00 175.68 2aff s VAL 80 N -1.33 0.17 0.09 3.83 -7.23 -0.83 -5.01 120.40 110.08 2aff s VAL 80 Ca 0.74 -0.07 -0.31 0.00 -1.81 0.00 0.00 61.98 60.54 2aff s VAL 80 Cb -0.39 -0.16 -0.06 0.00 0.56 0.00 0.00 36.38 36.32 2aff s VAL 80 CO 0.46 0.06 1.25 -0.60 -0.31 0.00 0.00 175.10 175.95 2aff s ARG 81 N 0.09 4.41 0.12 4.82 3.52 -1.26 -0.92 118.95 129.73 2aff s ARG 81 Ca -0.01 1.85 -0.28 0.00 -0.13 0.00 0.00 55.73 57.17 2aff s ARG 81 Cb -0.02 -3.31 -0.06 0.00 -1.56 0.00 0.00 34.95 29.99 2aff s ARG 81 CO -0.00 -0.29 0.89 -0.51 -0.81 0.00 0.00 175.30 174.58 2aff s LEU 82 N 0.96 4.52 0.07 -0.88 1.43 0.27 -4.89 118.68 120.16 2aff s LEU 82 Ca 0.60 1.72 0.06 0.00 -1.03 0.00 0.00 54.13 55.47 2aff s LEU 82 Cb -0.32 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 2aff s LEU 82 CO 0.30 0.02 -0.16 -0.54 0.23 0.00 0.00 176.35 176.20 2aff s LYS 83 N -0.32 0.93 -0.17 1.70 1.02 -1.26 -4.43 119.74 117.21 2aff s LYS 83 Ca 0.43 -0.96 -0.34 0.00 0.02 0.00 0.00 55.97 55.11 2aff s LYS 83 Cb -0.23 -1.00 -0.11 0.00 -0.52 0.00 0.00 37.83 35.97 2aff s LYS 83 CO 0.28 0.23 1.98 1.58 -0.92 0.00 0.00 175.35 178.51 2aff n HIS 84 N 1.37 2.13 0.00 3.18 -0.00 -1.26 -0.35 115.22 120.29 2aff n HIS 84 Ca -0.20 0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 2aff n HIS 84 Cb 0.54 -2.64 0.00 0.00 -0.00 0.00 0.00 29.99 27.89 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 4.99 1.88 3.75 1.57 0.00 -0.12 -4.96 105.19 112.31 2aff n GLY 85 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.81 6.81 -0.13 1.61 1.01 0.53 -4.77 116.67 119.92 2aff s ASP 86 Ca 0.00 2.53 -0.01 0.00 0.71 0.00 0.00 52.55 55.78 2aff s ASP 86 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2aff s ASP 86 CO 0.00 -0.57 -0.10 -0.69 0.21 0.00 0.00 175.17 174.02 2aff s VAL 87 N -0.17 3.32 -0.17 -1.27 1.01 -1.26 -1.02 120.40 120.85 2aff s VAL 87 Ca 0.56 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 2aff s VAL 87 Cb -0.39 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2aff s VAL 87 CO 0.42 0.53 0.05 -0.63 0.00 0.00 0.00 175.10 175.47 2aff s ILE 88 N 0.17 4.70 -0.10 2.22 1.01 -0.32 -1.21 121.20 127.67 2aff s ILE 88 Ca -0.06 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2aff s ILE 88 Cb -0.15 -3.10 0.01 0.00 0.01 0.00 0.00 42.46 39.23 2aff s ILE 88 CO 0.04 0.48 -0.19 -0.89 0.00 0.00 0.00 174.94 174.39 2aff s THR 89 N 0.21 1.71 -0.17 2.92 2.01 0.48 0.11 115.64 122.91 2aff s THR 89 Ca 0.04 -0.80 -0.00 0.00 0.31 0.00 0.00 61.69 61.23 2aff s THR 89 Cb -0.12 -1.52 -0.00 0.00 0.01 0.00 0.00 72.50 70.87 2aff s THR 89 CO 0.01 0.48 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.65 2aff s ILE 90 N 0.63 2.76 0.00 1.82 1.01 0.73 -1.55 121.20 126.61 2aff s ILE 90 Ca -0.13 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2aff s ILE 90 Cb -0.16 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.12 2aff s ILE 90 CO 0.04 0.50 0.00 -0.38 0.00 0.00 0.00 174.94 175.10 2aff n ILE 91 N 4.22 0.00 -0.40 2.92 5.41 -1.26 0.28 119.36 130.52 2aff n ILE 91 Ca -0.19 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.61 2aff n ILE 91 Cb 0.51 0.00 0.11 0.00 -0.71 0.00 0.00 39.64 39.55 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 2.97 2.59 -4.23 4.38 5.75 -1.26 -5.00 116.55 121.76 2aff n ASP 92 Ca 0.00 -2.36 -0.25 0.00 -0.01 0.00 0.00 54.79 52.17 2aff n ASP 92 Cb 0.00 -0.23 -0.14 0.00 -1.03 0.00 0.00 41.12 39.72 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 -1.63 1.42 0.05 0.11 0.52 0.78 -4.49 118.95 115.71 2aff s ARG 93 Ca 0.19 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 2aff s ARG 93 Cb 0.14 -1.48 -0.03 0.00 0.52 0.00 0.00 34.95 34.10 2aff s ARG 93 CO 0.06 0.39 -0.04 0.45 0.02 0.00 0.00 175.30 176.17 2aff s SER 94 N -0.96 0.59 -0.10 0.23 0.15 -1.26 0.26 113.70 112.62 2aff s SER 94 Ca 0.07 -0.82 0.01 0.00 0.70 0.00 0.00 55.95 55.91 2aff s SER 94 Cb -0.08 0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.38 2aff s SER 94 CO 0.01 -0.45 -0.11 -0.36 1.20 0.00 0.00 173.24 173.53 2aff s PHE 95 N -2.92 1.58 -0.02 3.44 0.40 0.12 -1.10 117.98 119.48 2aff s PHE 95 Ca -0.00 -0.72 -0.20 0.00 -0.60 0.00 0.00 56.93 55.41 2aff s PHE 95 Cb 0.01 -1.22 -0.05 0.00 0.51 0.00 0.00 43.02 42.27 2aff s PHE 95 CO -0.05 -0.43 0.56 1.03 0.70 0.00 0.00 175.22 177.03 2aff s ARG 96 N 1.19 4.29 -0.24 0.44 0.52 -0.60 -1.18 118.95 123.37 2aff s ARG 96 Ca -0.04 0.67 -0.13 0.00 -0.52 0.00 0.00 55.73 55.71 2aff s ARG 96 Cb -0.14 -3.35 -0.05 0.00 0.52 0.00 0.00 34.95 31.94 2aff s ARG 96 CO -0.03 0.36 0.26 -0.47 0.02 0.00 0.00 175.30 175.43 2aff s TYR 97 N -0.12 3.30 -0.04 -0.53 5.04 -0.19 -1.95 117.35 122.86 2aff s TYR 97 Ca 0.30 0.32 -0.01 0.00 -2.44 0.00 0.00 57.07 55.24 2aff s TYR 97 Cb -0.18 -2.40 0.03 0.00 0.35 0.00 0.00 41.96 39.77 2aff s TYR 97 CO 0.16 -0.04 0.07 -1.21 -1.34 0.00 0.00 175.55 173.19 2aff s GLU 98 N 1.42 -0.01 -0.42 4.97 2.02 -0.96 -0.94 118.70 124.77 2aff s GLU 98 Ca 0.11 0.31 -0.14 0.00 0.02 0.00 0.00 54.97 55.27 2aff s GLU 98 Cb -0.15 -0.29 0.04 0.00 0.10 0.00 0.00 34.13 33.83 2aff s GLU 98 CO 0.07 -0.22 0.31 -0.80 0.02 0.00 0.00 175.26 174.64 2aff s ASN 99 N 1.45 6.01 0.00 -0.19 0.01 -1.26 -1.89 114.94 119.07 2aff s ASN 99 Ca -0.05 -1.10 0.14 0.00 -0.71 0.00 0.00 52.86 51.14 2aff s ASN 99 Cb -0.12 -2.13 0.81 0.00 0.41 0.00 0.00 41.25 40.22 2aff s ASN 99 CO -0.04 -0.50 1.23 1.21 -1.51 0.00 0.00 177.10 177.49