#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1waa s MET -1 N 0.00 1.56 0.36 0.00 1.00 -1.26 -5.10 119.30 115.87 1waa s MET -1 Ca 0.00 -1.26 -0.28 0.00 0.00 0.00 0.00 55.69 54.15 1waa s MET -1 Cb 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 34.83 32.76 1waa s MET -1 CO 0.00 0.47 1.39 0.00 0.00 0.00 0.00 175.02 176.88 1waa s ALA 0 N -1.03 3.50 0.72 3.03 0.00 -1.26 -5.00 121.76 121.72 1waa s ALA 0 Ca 0.14 1.41 -0.14 0.00 0.00 0.00 0.00 51.96 53.37 1waa s ALA 0 Cb -0.10 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.51 1waa s ALA 0 CO 0.06 -0.87 1.17 -0.51 0.00 0.00 0.00 175.76 175.61 1waa s LEU 1 N -2.03 3.30 0.32 0.00 1.43 -1.26 -5.00 118.68 115.44 1waa s LEU 1 Ca 0.52 2.21 -0.28 0.00 -1.03 0.00 0.00 54.13 55.55 1waa s LEU 1 Cb -0.43 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.13 1waa s LEU 1 CO 0.57 -2.10 1.10 -0.63 0.23 0.00 0.00 176.35 175.52 1waa s ILE 2 N -2.18 3.48 0.17 -0.59 -1.09 -1.26 -5.04 121.20 114.70 1waa s ILE 2 Ca 0.71 1.37 0.07 0.00 -2.23 0.00 0.00 60.65 60.57 1waa s ILE 2 Cb -0.25 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1waa s ILE 2 CO 0.45 0.24 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.65 1waa s GLU 3 N -1.81 1.21 -0.29 2.79 2.02 -1.26 -3.76 118.70 117.59 1waa s GLU 3 Ca 0.49 -1.48 -0.22 0.00 0.02 0.00 0.00 54.97 53.78 1waa s GLU 3 Cb -0.30 -0.99 -0.01 0.00 0.10 0.00 0.00 34.13 32.93 1waa s GLU 3 CO 0.38 0.17 0.71 0.08 0.02 0.00 0.00 175.26 176.61 1waa s VAL 4 N -2.82 4.88 -0.11 2.63 1.01 -1.26 -0.82 120.40 123.91 1waa s VAL 4 Ca 0.18 1.07 -0.09 0.00 0.00 0.00 0.00 61.98 63.15 1waa s VAL 4 Cb -0.01 -4.06 -0.27 0.00 0.00 0.00 0.00 36.38 32.04 1waa s VAL 4 CO 0.05 -0.16 0.43 -0.33 0.00 0.00 0.00 175.10 175.09 1waa h GLU 5 N 8.08 0.28 -4.02 2.72 4.39 -1.14 -3.45 114.58 121.44 1waa h GLU 5 Ca -0.25 -0.47 -0.54 0.00 0.34 0.00 0.00 59.36 58.43 1waa h GLU 5 Cb 1.11 0.18 -0.38 0.00 -0.10 0.00 0.00 28.75 29.55 1waa h GLU 5 CO 0.84 1.23 -0.78 0.15 -1.16 0.00 0.00 179.01 179.28 1waa s LYS 6 N -2.55 1.22 0.87 2.33 1.02 -0.88 -4.98 119.74 116.79 1waa s LYS 6 Ca -0.21 -0.50 -0.12 0.00 0.02 0.00 0.00 55.97 55.15 1waa s LYS 6 Cb 0.06 -2.02 0.12 0.00 -0.52 0.00 0.00 37.83 35.47 1waa s LYS 6 CO 0.78 -0.49 1.13 -1.25 -0.92 0.00 0.00 175.35 174.60 1waa s PRO 7 N 1.68 1.44 0.36 -1.68 0.04 -1.26 -1.73 135.00 133.85 1waa s PRO 7 Ca -0.00 0.33 -0.28 0.00 0.04 0.00 0.00 61.00 61.09 1waa s PRO 7 Cb -0.16 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 1waa s PRO 7 CO -0.07 -2.00 1.50 1.28 0.04 0.00 0.00 177.00 177.75 1waa n LEU 8 N -3.64 4.66 -4.75 -3.56 4.32 -1.26 -4.76 117.00 108.01 1waa n LEU 8 Ca 0.07 1.21 -0.28 0.00 -0.02 0.00 0.00 56.01 56.99 1waa n LEU 8 Cb 0.59 -1.61 -0.06 0.00 -1.62 0.00 0.00 43.42 40.71 1waa n LEU 8 CO 0.57 0.13 -0.27 -0.31 -1.22 0.00 0.00 177.39 176.30 1waa s TYR 9 N -0.93 3.08 0.56 -1.77 2.02 -1.26 -4.72 117.35 114.33 1waa s TYR 9 Ca 0.55 -0.02 -0.20 0.00 -0.37 0.00 0.00 57.07 57.03 1waa s TYR 9 Cb -0.48 -1.52 -0.05 0.00 -0.40 0.00 0.00 41.96 39.51 1waa s TYR 9 CO 0.61 0.51 1.22 0.20 -1.57 0.00 0.00 175.55 176.52 1waa s GLY 10 N -2.78 2.77 -0.01 0.71 0.00 -1.26 -4.76 107.32 101.98 1waa s GLY 10 Ca 0.29 1.03 0.06 0.00 0.00 0.00 0.00 44.72 46.10 1waa s GLY 10 CO 0.21 1.45 -0.18 0.14 0.00 0.00 0.00 173.10 174.73 1waa s VAL 11 N -1.55 1.44 0.01 1.40 1.01 -0.24 -4.97 120.40 117.50 1waa s VAL 11 Ca 0.74 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.97 1waa s VAL 11 Cb -0.31 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1waa s VAL 11 CO 0.35 0.39 -0.12 -0.70 0.00 0.00 0.00 175.10 175.02 1waa s GLU 12 N -0.48 2.37 -0.22 2.72 2.12 -1.26 -1.04 118.70 122.91 1waa s GLU 12 Ca 0.07 -0.82 -0.20 0.00 0.36 0.00 0.00 54.97 54.38 1waa s GLU 12 Cb -0.07 -2.37 0.06 0.00 0.26 0.00 0.00 34.13 32.01 1waa s GLU 12 CO -0.01 0.58 0.59 0.54 -0.54 0.00 0.00 175.26 176.42 1waa s VAL 13 N -0.94 -0.00 0.44 3.70 0.11 -0.17 -4.96 120.40 118.58 1waa s VAL 13 Ca 0.16 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.05 1waa s VAL 13 Cb -0.11 -0.82 -0.09 0.00 -1.53 0.00 0.00 36.38 33.84 1waa s VAL 13 CO 0.06 0.00 0.89 -0.36 -3.33 0.00 0.00 175.10 172.36 1waa s PHE 14 N 0.41 3.41 0.14 1.54 0.40 -1.26 -0.26 117.98 122.35 1waa s PHE 14 Ca -0.01 1.38 -0.33 0.00 -0.60 0.00 0.00 56.93 57.37 1waa s PHE 14 Cb -0.04 -2.70 -0.17 0.00 0.51 0.00 0.00 43.02 40.62 1waa s PHE 14 CO -0.01 -0.18 0.95 0.28 0.70 0.00 0.00 175.22 176.97 1waa n VAL 15 N -1.09 1.02 0.00 -0.44 0.31 0.01 -1.16 118.33 116.98 1waa n VAL 15 Ca 0.05 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1waa n VAL 15 Cb 0.54 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1waa n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1waa n GLY 16 N 1.84 2.64 3.98 2.92 0.00 0.43 -4.89 105.19 112.12 1waa n GLY 16 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1waa n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1waa s GLU 17 N -0.18 1.56 -0.07 1.61 0.41 -0.31 -3.80 118.70 117.92 1waa s GLU 17 Ca 0.00 -1.02 -0.00 0.00 -0.41 0.00 0.00 54.97 53.54 1waa s GLU 17 Cb 0.00 -2.27 -0.03 0.00 -1.78 0.00 0.00 34.13 30.05 1waa s GLU 17 CO 0.00 -1.56 -0.03 -0.08 -0.49 0.00 0.00 175.26 173.10 1waa s THR 18 N -3.23 4.00 -0.11 3.63 -1.32 -1.26 -1.25 115.64 116.10 1waa s THR 18 Ca 0.67 -0.39 -0.03 0.00 -1.21 0.00 0.00 61.69 60.73 1waa s THR 18 Cb -0.05 -2.67 -0.03 0.00 -1.51 0.00 0.00 72.50 68.24 1waa s THR 18 CO 0.45 0.58 0.02 0.00 -2.21 0.00 0.00 174.62 173.46 1waa s ALA 19 N -0.87 3.33 -0.06 11.08 0.00 -0.00 -4.97 121.76 130.27 1waa s ALA 19 Ca 0.13 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1waa s ALA 19 Cb -0.11 -1.58 -0.00 0.00 0.00 0.00 0.00 23.12 21.42 1waa s ALA 19 CO 0.03 0.51 -0.19 -1.01 0.00 0.00 0.00 175.76 175.09 1waa s HIS 20 N -0.63 1.99 0.13 0.00 3.76 -1.26 -0.46 115.29 118.82 1waa s HIS 20 Ca 0.11 -0.66 0.11 0.00 -0.15 0.00 0.00 55.06 54.47 1waa s HIS 20 Cb -0.12 -1.34 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 1waa s HIS 20 CO 0.02 -0.25 -0.27 -0.06 -0.85 0.00 0.00 174.74 173.34 1waa s PHE 21 N 0.16 2.30 -0.06 1.40 0.08 0.33 -4.95 117.98 117.25 1waa s PHE 21 Ca -0.09 -0.38 -0.10 0.00 0.12 0.00 0.00 56.93 56.48 1waa s PHE 21 Cb -0.14 -1.23 0.02 0.00 -0.57 0.00 0.00 43.02 41.10 1waa s PHE 21 CO 0.04 0.35 0.25 -1.83 -0.10 0.00 0.00 175.22 173.94 1waa s GLU 22 N -2.11 0.43 0.01 0.44 -1.05 -1.26 -1.17 118.70 114.00 1waa s GLU 22 Ca 0.14 0.09 -0.01 0.00 -0.15 0.00 0.00 54.97 55.04 1waa s GLU 22 Cb -0.10 0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.78 1waa s GLU 22 CO 0.06 -0.09 0.01 -1.50 0.95 0.00 0.00 175.26 174.69 1waa s ILE 23 N -0.50 0.09 -0.10 1.83 2.07 -0.71 -4.01 121.20 119.86 1waa s ILE 23 Ca -0.06 -0.78 0.03 0.00 -1.41 0.00 0.00 60.65 58.43 1waa s ILE 23 Cb -0.04 -0.27 0.00 0.00 0.13 0.00 0.00 42.46 42.29 1waa s ILE 23 CO 0.02 -0.43 -0.21 -0.70 -1.91 0.00 0.00 174.94 171.70 1waa s GLU 24 N -1.31 2.78 0.49 3.50 2.12 -0.70 -1.24 118.70 124.34 1waa s GLU 24 Ca -0.14 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.43 1waa s GLU 24 Cb -0.09 -2.15 0.02 0.00 0.26 0.00 0.00 34.13 32.18 1waa s GLU 24 CO -0.00 0.12 0.70 -0.51 -0.54 0.00 0.00 175.26 175.02 1waa s LEU 25 N 0.48 3.46 0.23 2.70 1.43 0.30 -0.66 118.68 126.62 1waa s LEU 25 Ca -0.16 -0.03 0.24 0.00 -1.03 0.00 0.00 54.13 53.15 1waa s LEU 25 Cb -0.17 -2.88 0.92 0.00 0.03 0.00 0.00 46.19 44.08 1waa s LEU 25 CO 0.06 -0.94 1.73 -1.54 0.23 0.00 0.00 176.35 175.89 1waa n SER 26 N -2.16 0.67 -3.69 2.29 3.41 0.00 -4.61 113.62 109.54 1waa n SER 26 Ca 0.06 0.63 -0.14 0.00 -0.26 0.00 0.00 58.87 59.15 1waa n SER 26 Cb 0.59 -0.78 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 1waa n SER 26 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1waa s GLU 27 N -3.22 0.73 0.67 4.33 0.41 -1.26 -4.97 118.70 115.38 1waa s GLU 27 Ca 0.07 0.12 -0.13 0.00 -0.41 0.00 0.00 54.97 54.62 1waa s GLU 27 Cb 0.11 0.34 -0.00 0.00 -1.78 0.00 0.00 34.13 32.79 1waa s GLU 27 CO 0.46 -0.19 1.07 -1.25 -0.49 0.00 0.00 175.26 174.86 1waa s PRO 28 N -0.90 2.98 -0.97 0.39 0.04 -1.26 -4.39 135.00 130.89 1waa s PRO 28 Ca -0.10 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1waa s PRO 28 Cb -0.03 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1waa s PRO 28 CO 0.05 -1.07 0.00 -0.25 0.04 0.00 0.00 177.00 175.76 1waa n ASP 29 N -2.74 -3.70 -4.78 6.66 10.43 -1.05 -4.90 116.55 116.46 1waa n ASP 29 Ca 0.08 0.05 -0.38 0.00 2.57 0.00 0.00 54.79 57.12 1waa n ASP 29 Cb 0.53 -2.76 -0.06 0.00 1.84 0.00 0.00 41.12 40.67 1waa n ASP 29 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1waa s VAL 30 N -2.50 5.07 0.07 2.53 1.01 -1.26 -5.06 120.40 120.26 1waa s VAL 30 Ca 0.00 0.93 -0.22 0.00 0.00 0.00 0.00 61.98 62.69 1waa s VAL 30 Cb 0.00 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 1waa s VAL 30 CO 0.00 0.45 0.66 -1.00 0.00 0.00 0.00 175.10 175.21 1waa s HIS 31 N -0.23 3.79 0.25 5.22 3.76 -1.26 -5.05 115.29 121.77 1waa s HIS 31 Ca 0.25 1.38 0.01 0.00 -0.15 0.00 0.00 55.06 56.55 1waa s HIS 31 Cb -0.16 -2.64 -0.00 0.00 1.11 0.00 0.00 32.58 30.88 1waa s HIS 31 CO 0.12 0.46 0.29 0.41 -0.85 0.00 0.00 174.74 175.18 1waa n GLY 32 N 1.97 2.74 3.19 -2.22 0.00 -1.26 -4.34 105.19 105.26 1waa n GLY 32 Ca -0.07 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 1waa n GLY 32 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1waa s GLN 33 N -2.73 0.34 -0.03 1.61 0.74 -0.14 -4.98 119.66 114.47 1waa s GLN 33 Ca 0.24 0.48 -0.02 0.00 0.05 0.00 0.00 55.36 56.10 1waa s GLN 33 Cb 0.00 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 1waa s GLN 33 CO 0.17 -0.07 0.11 -1.58 -0.55 0.00 0.00 175.29 173.37 1waa s TRP 34 N 0.43 3.41 0.11 1.67 0.52 -1.26 -1.68 118.94 122.13 1waa s TRP 34 Ca -0.02 0.31 0.06 0.00 0.02 0.00 0.00 56.10 56.46 1waa s TRP 34 Cb -0.04 -1.80 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1waa s TRP 34 CO -0.02 0.61 -0.14 0.15 0.02 0.00 0.00 176.95 177.57 1waa s LYS 35 N -1.60 0.96 -0.11 4.98 1.02 -0.13 -2.14 119.74 122.72 1waa s LYS 35 Ca 0.22 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 55.05 1waa s LYS 35 Cb -0.12 -0.87 0.02 0.00 -0.52 0.00 0.00 37.83 36.34 1waa s LYS 35 CO 0.13 0.17 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.46 1waa s LEU 36 N -2.26 1.40 -1.49 3.17 0.20 -0.10 -1.39 118.68 118.22 1waa s LEU 36 Ca 0.06 -0.34 -0.09 0.00 0.69 0.00 0.00 54.13 54.45 1waa s LEU 36 Cb -0.06 -0.92 0.06 0.00 -0.43 0.00 0.00 46.19 44.84 1waa s LEU 36 CO 0.03 -0.07 0.76 0.29 -0.29 0.00 0.00 176.35 177.07 1waa n LYS 37 N 4.64 -4.45 -0.79 1.98 5.02 0.12 -1.42 118.16 123.26 1waa n LYS 37 Ca -0.16 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1waa n LYS 37 Cb 0.50 -5.13 0.00 0.00 -0.02 0.00 0.00 35.03 30.38 1waa n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1waa n GLY 38 N -1.68 0.32 3.64 0.72 0.00 -1.26 -5.00 105.19 101.93 1waa n GLY 38 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1waa n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1waa s GLN 39 N -0.82 3.77 0.41 1.61 -1.52 -0.51 -5.01 119.66 117.59 1waa s GLN 39 Ca 0.00 -0.36 -0.27 0.00 -1.95 0.00 0.00 55.36 52.78 1waa s GLN 39 Cb 0.00 -3.11 -0.09 0.00 -0.22 0.00 0.00 33.01 29.58 1waa s GLN 39 CO 0.00 0.36 1.43 -1.25 -0.25 0.00 0.00 175.29 175.58 1waa s PRO 40 N 0.10 3.90 -0.13 2.91 0.04 -1.26 -0.92 135.00 139.64 1waa s PRO 40 Ca 0.04 2.44 -0.19 0.00 0.04 0.00 0.00 61.00 63.33 1waa s PRO 40 Cb -0.12 -2.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 1waa s PRO 40 CO 0.01 -0.65 0.53 -0.51 0.04 0.00 0.00 177.00 176.42 1waa s LEU 41 N -2.42 4.26 -0.08 -3.56 1.43 -0.91 -4.86 118.68 112.54 1waa s LEU 41 Ca 0.57 0.86 -0.26 0.00 -1.03 0.00 0.00 54.13 54.26 1waa s LEU 41 Cb -0.44 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 1waa s LEU 41 CO 0.58 -0.06 0.85 0.00 0.23 0.00 0.00 176.35 177.94 1waa s ALA 42 N 0.88 3.35 0.26 4.21 0.00 -1.26 -4.93 121.76 124.27 1waa s ALA 42 Ca 0.28 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 1waa s ALA 42 Cb -0.16 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 1waa s ALA 42 CO 0.11 -0.35 1.47 0.00 0.00 0.00 0.00 175.76 176.99 1waa s ALA 43 N 1.38 3.65 0.29 0.00 0.00 -1.26 -4.77 121.76 121.05 1waa s ALA 43 Ca 0.43 1.38 -0.13 0.00 0.00 0.00 0.00 51.96 53.63 1waa s ALA 43 Cb -0.18 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.37 1waa s ALA 43 CO 0.19 -0.79 0.58 -1.54 0.00 0.00 0.00 175.76 174.20 1waa s SER 44 N 0.37 0.07 0.47 0.00 1.04 0.39 -4.94 113.70 111.10 1waa s SER 44 Ca 0.60 -1.00 0.20 0.00 0.48 0.00 0.00 55.95 56.23 1waa s SER 44 Cb -0.43 0.67 1.20 0.00 0.10 0.00 0.00 66.02 67.57 1waa s SER 44 CO 0.44 -1.31 1.94 -0.65 0.98 0.00 0.00 173.24 174.65 1waa h PRO 45 N 2.14 0.23 -0.04 4.02 0.11 -2.01 -1.73 132.00 134.72 1waa h PRO 45 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1waa h PRO 45 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1waa h PRO 45 CO 0.34 0.15 0.00 -0.25 -0.21 0.00 0.00 178.00 178.04 1waa n ASP 46 N -4.43 2.22 -3.48 -2.05 8.00 -1.26 -4.73 116.55 110.81 1waa n ASP 46 Ca 0.13 -1.74 -0.25 0.00 0.71 0.00 0.00 54.79 53.64 1waa n ASP 46 Cb 0.59 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 41.55 1waa n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1waa s GLU 48 N 2.09 3.38 -0.19 0.00 2.02 0.19 -0.46 118.70 125.73 1waa s GLU 48 Ca 0.10 -0.67 -0.03 0.00 0.02 0.00 0.00 54.97 54.38 1waa s GLU 48 Cb -0.16 -2.70 -0.01 0.00 0.10 0.00 0.00 34.13 31.35 1waa s GLU 48 CO -0.32 0.13 -0.06 0.42 0.02 0.00 0.00 175.26 175.45 1waa s ILE 49 N 0.58 3.44 -0.02 -1.63 1.01 -1.26 -1.44 121.20 121.87 1waa s ILE 49 Ca -0.07 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.13 1waa s ILE 49 Cb -0.15 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 1waa s ILE 49 CO 0.03 0.46 -0.16 -0.63 0.00 0.00 0.00 174.94 174.64 1waa s ILE 50 N 1.01 1.28 -0.01 2.92 1.09 0.26 -5.01 121.20 122.75 1waa s ILE 50 Ca 0.00 -0.67 0.04 0.00 -1.10 0.00 0.00 60.65 58.92 1waa s ILE 50 Cb -0.15 -1.08 -0.01 0.00 -1.06 0.00 0.00 42.46 40.16 1waa s ILE 50 CO 0.00 0.37 -0.14 -1.61 -0.10 0.00 0.00 174.94 173.46 1waa s GLU 51 N -0.21 1.11 -0.28 2.79 8.01 -1.26 -0.61 118.70 128.25 1waa s GLU 51 Ca 0.03 -0.49 0.01 0.00 0.01 0.00 0.00 54.97 54.53 1waa s GLU 51 Cb -0.08 -1.07 0.16 0.00 -4.31 0.00 0.00 34.13 28.83 1waa s GLU 51 CO 0.00 0.29 0.43 0.34 0.01 0.00 0.00 175.26 176.33 1waa s ASP 52 N -0.31 0.08 1.92 -0.19 3.68 -0.32 -5.03 116.67 116.51 1waa s ASP 52 Ca 0.05 -0.13 0.00 0.00 2.13 0.00 0.00 52.55 54.60 1waa s ASP 52 Cb -0.05 1.25 0.00 0.00 -1.45 0.00 0.00 42.92 42.66 1waa s ASP 52 CO -0.00 -0.33 0.00 0.61 0.13 0.00 0.00 175.17 175.57 1waa n GLY 53 N 5.37 4.09 0.00 2.66 0.00 -1.26 -1.26 105.19 114.79 1waa n GLY 53 Ca -0.00 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1waa n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1waa n LYS 54 N 14.00 0.04 -3.45 1.61 5.02 -1.26 -2.54 118.16 131.58 1waa n LYS 54 Ca 0.00 0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 55.95 1waa n LYS 54 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 1waa n LYS 54 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1waa s LYS 55 N -2.95 4.06 -0.09 1.97 1.02 -0.39 -0.54 119.74 122.83 1waa s LYS 55 Ca 0.14 0.40 0.04 0.00 0.02 0.00 0.00 55.97 56.58 1waa s LYS 55 Cb 0.18 -3.29 -0.00 0.00 -0.52 0.00 0.00 37.83 34.19 1waa s LYS 55 CO 0.48 0.52 -0.23 -1.01 -0.92 0.00 0.00 175.35 174.19 1waa s HIS 56 N -0.52 2.40 -0.00 3.18 3.76 -0.37 -1.17 115.29 122.56 1waa s HIS 56 Ca 0.24 -0.91 0.06 0.00 -0.15 0.00 0.00 55.06 54.29 1waa s HIS 56 Cb -0.16 -1.61 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 1waa s HIS 56 CO 0.12 -0.35 -0.18 0.42 -0.85 0.00 0.00 174.74 173.90 1waa s ILE 57 N 0.25 1.40 -0.10 0.60 1.01 0.22 -1.75 121.20 122.83 1waa s ILE 57 Ca -0.15 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1waa s ILE 57 Cb -0.17 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.14 1waa s ILE 57 CO 0.07 0.33 -0.19 -0.22 0.00 0.00 0.00 174.94 174.94 1waa s LEU 58 N -0.58 1.89 -0.18 2.97 2.96 -0.32 -0.58 118.68 124.84 1waa s LEU 58 Ca 0.06 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1waa s LEU 58 Cb -0.07 -1.20 0.02 0.00 0.50 0.00 0.00 46.19 45.44 1waa s LEU 58 CO -0.00 0.08 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.28 1waa s ILE 59 N 0.68 2.12 -0.32 6.68 1.01 -0.52 -0.51 121.20 130.33 1waa s ILE 59 Ca -0.12 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 1waa s ILE 59 Cb -0.16 -1.89 0.07 0.00 0.01 0.00 0.00 42.46 40.48 1waa s ILE 59 CO 0.03 0.53 0.04 -0.76 0.00 0.00 0.00 174.94 174.78 1waa s LEU 60 N 1.30 4.22 0.42 2.97 1.43 0.39 -0.64 118.68 128.76 1waa s LEU 60 Ca 0.05 -1.49 -0.06 0.00 -1.03 0.00 0.00 54.13 51.60 1waa s LEU 60 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1waa s LEU 60 CO -0.12 -0.32 0.72 -1.00 0.23 0.00 0.00 176.35 175.85 1waa s HIS 61 N 1.20 3.52 -1.39 0.29 3.76 0.04 -0.82 115.29 121.89 1waa s HIS 61 Ca -0.01 0.78 -0.00 0.00 -0.15 0.00 0.00 55.06 55.67 1waa s HIS 61 Cb -0.20 -2.25 -0.00 0.00 1.11 0.00 0.00 32.58 31.24 1waa s HIS 61 CO -0.02 -0.12 0.46 -1.71 -0.85 0.00 0.00 174.74 172.50 1waa n ASN 62 N -1.77 -0.47 -4.76 1.40 5.15 -1.11 -4.87 115.26 108.83 1waa n ASN 62 Ca -0.00 -0.98 -0.40 0.00 -0.60 0.00 0.00 54.58 52.59 1waa n ASN 62 Cb 0.55 -3.19 0.01 0.00 -0.53 0.00 0.00 39.78 36.62 1waa n ASN 62 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1waa s GLN 64 N -2.36 1.42 0.33 0.00 -1.52 -1.26 -0.43 119.66 115.84 1waa s GLN 64 Ca 0.60 -1.51 0.10 0.00 -1.95 0.00 0.00 55.36 52.59 1waa s GLN 64 Cb -0.46 -1.56 0.86 0.00 -0.22 0.00 0.00 33.01 31.63 1waa s GLN 64 CO 0.59 0.32 1.76 -0.07 -0.25 0.00 0.00 175.29 177.63 1waa h LEU 65 N 3.05 0.68 -0.45 2.90 4.07 -1.95 0.18 115.31 123.79 1waa h LEU 65 Ca -0.43 0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.64 1waa h LEU 65 Cb 1.22 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1waa h LEU 65 CO 0.52 0.18 0.00 0.61 -1.08 0.00 0.00 178.44 178.67 1waa n GLY 66 N -1.35 -0.82 0.03 0.83 0.00 -1.26 -2.32 105.19 100.31 1waa n GLY 66 Ca 0.25 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.46 1waa n GLY 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1waa n MET 67 N -1.80 0.27 -1.83 1.61 2.81 0.61 -4.90 117.12 113.90 1waa n MET 67 Ca 0.01 -0.07 -0.42 0.00 -1.81 0.00 0.00 57.70 55.41 1waa n MET 67 Cb 0.08 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.06 1waa n MET 67 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1waa s THR 68 N -2.78 2.67 -5.00 2.03 2.01 -0.98 -4.81 115.64 108.78 1waa s THR 68 Ca 0.20 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1waa s THR 68 Cb 0.19 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1waa s THR 68 CO 0.54 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 1waa n GLY 69 N 4.03 -0.23 3.70 4.40 0.00 -0.35 -4.98 105.19 111.77 1waa n GLY 69 Ca 0.16 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 1waa n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1waa s GLU 70 N -2.00 4.42 -0.19 1.61 2.12 -1.26 -0.34 118.70 123.06 1waa s GLU 70 Ca 0.00 0.96 -0.09 0.00 0.36 0.00 0.00 54.97 56.19 1waa s GLU 70 Cb 0.00 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 1waa s GLU 70 CO 0.00 -0.03 0.13 0.08 -0.54 0.00 0.00 175.26 174.90 1waa s VAL 71 N 1.12 5.40 0.11 3.70 1.01 0.68 0.10 120.40 132.51 1waa s VAL 71 Ca 0.39 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.58 1waa s VAL 71 Cb -0.18 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1waa s VAL 71 CO 0.18 0.47 -0.08 -0.94 0.00 0.00 0.00 175.10 174.72 1waa s SER 72 N 0.14 1.37 0.01 3.32 1.04 -0.48 -0.27 113.70 118.83 1waa s SER 72 Ca 0.09 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 55.59 1waa s SER 72 Cb -0.11 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 1waa s SER 72 CO -0.01 -0.37 -0.04 0.12 0.98 0.00 0.00 173.24 173.92 1waa s PHE 73 N -3.18 0.36 -0.03 5.02 2.19 -0.08 -0.96 117.98 121.30 1waa s PHE 73 Ca 0.11 -0.18 -0.01 0.00 0.33 0.00 0.00 56.93 57.18 1waa s PHE 73 Cb 0.02 -0.23 0.02 0.00 -1.31 0.00 0.00 43.02 41.52 1waa s PHE 73 CO -0.02 -0.04 0.06 -1.14 1.83 0.00 0.00 175.22 175.92 1waa s GLN 74 N -0.47 0.02 -0.31 10.12 0.74 -0.68 -1.43 119.66 127.66 1waa s GLN 74 Ca -0.02 0.19 -0.03 0.00 0.05 0.00 0.00 55.36 55.55 1waa s GLN 74 Cb -0.04 -0.14 0.11 0.00 1.10 0.00 0.00 33.01 34.04 1waa s GLN 74 CO -0.00 -0.11 0.14 0.00 -0.55 0.00 0.00 175.29 174.77 1waa s ALA 75 N 0.74 0.81 0.00 1.58 0.00 -0.43 -0.96 121.76 123.50 1waa s ALA 75 Ca -0.06 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1waa s ALA 75 Cb -0.08 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1waa s ALA 75 CO -0.03 -1.74 0.00 0.00 0.00 0.00 0.00 175.76 174.00 1waa n ALA 76 N 4.96 0.00 0.00 0.00 0.00 -1.26 -1.82 120.51 122.40 1waa n ALA 76 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1waa n ALA 76 Cb 0.41 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.06 1waa n ALA 76 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1waa h ASN 77 N 0.00 0.51 -3.32 0.00 -1.24 -1.98 -3.45 115.58 106.10 1waa h ASN 77 Ca 0.00 -0.17 -0.53 0.00 0.71 0.00 0.00 56.30 56.31 1waa h ASN 77 Cb 0.00 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 38.91 1waa h ASN 77 CO 0.00 0.74 0.51 -0.89 -1.29 0.00 0.00 177.43 176.50 1waa s THR 78 N -4.55 4.13 -0.10 -3.57 2.01 -0.75 -5.03 115.64 107.77 1waa s THR 78 Ca -0.07 1.60 -0.08 0.00 0.31 0.00 0.00 61.69 63.45 1waa s THR 78 Cb 0.14 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.66 1waa s THR 78 CO 0.79 0.16 0.25 -0.75 -0.69 0.00 0.00 174.62 174.39 1waa s LYS 79 N 0.71 0.28 0.03 4.92 2.20 -1.26 -1.31 119.74 125.29 1waa s LYS 79 Ca 0.55 0.40 -0.07 0.00 -0.36 0.00 0.00 55.97 56.48 1waa s LYS 79 Cb -0.28 0.08 -0.00 0.00 -1.51 0.00 0.00 37.83 36.12 1waa s LYS 79 CO 0.30 -0.07 0.14 0.45 -0.36 0.00 0.00 175.35 175.82 1waa s SER 80 N 0.41 0.08 -0.07 1.43 0.15 -0.52 -4.95 113.70 110.22 1waa s SER 80 Ca -0.02 -0.36 -0.11 0.00 0.70 0.00 0.00 55.95 56.15 1waa s SER 80 Cb -0.04 0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.54 1waa s SER 80 CO -0.02 -0.48 0.28 0.00 1.20 0.00 0.00 173.24 174.22 1waa s ALA 81 N -2.16 -0.69 0.16 5.45 0.00 -1.26 -0.90 121.76 122.35 1waa s ALA 81 Ca -0.08 0.56 -0.13 0.00 0.00 0.00 0.00 51.96 52.31 1waa s ALA 81 Cb -0.03 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1waa s ALA 81 CO -0.02 -0.18 0.37 0.00 0.00 0.00 0.00 175.76 175.93 1waa s ALA 82 N -0.46 -0.49 0.21 0.00 0.00 0.63 -4.80 121.76 116.85 1waa s ALA 82 Ca -0.06 -0.50 -0.26 0.00 0.00 0.00 0.00 51.96 51.14 1waa s ALA 82 Cb -0.04 0.79 -0.09 0.00 0.00 0.00 0.00 23.12 23.79 1waa s ALA 82 CO 0.02 -0.68 0.84 1.21 0.00 0.00 0.00 175.76 177.14 1waa s ASN 83 N -2.90 7.43 -0.23 0.00 3.04 -1.26 -0.23 114.94 120.78 1waa s ASN 83 Ca 0.11 1.73 -0.03 0.00 0.04 0.00 0.00 52.86 54.71 1waa s ASN 83 Cb 0.02 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.20 1waa s ASN 83 CO -0.04 0.15 -0.04 -0.22 -3.04 0.00 0.00 177.10 173.90 1waa s LEU 84 N -1.35 3.02 -0.25 3.21 2.96 0.54 -1.08 118.68 125.73 1waa s LEU 84 Ca 0.40 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.72 1waa s LEU 84 Cb -0.23 -1.72 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 1waa s LEU 84 CO 0.27 -0.06 0.01 -0.75 -1.32 0.00 0.00 176.35 174.50 1waa s LYS 85 N 1.44 3.24 -0.23 1.98 2.20 -0.20 -1.21 119.74 126.96 1waa s LYS 85 Ca 0.04 -0.73 -0.13 0.00 -0.36 0.00 0.00 55.97 54.79 1waa s LYS 85 Cb -0.15 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 1waa s LYS 85 CO -0.03 -0.30 0.28 0.08 -0.36 0.00 0.00 175.35 175.01 1waa s VAL 86 N 1.48 5.28 0.09 4.02 1.01 -1.26 -1.00 120.40 130.02 1waa s VAL 86 Ca 0.04 0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.51 1waa s VAL 86 Cb -0.16 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1waa s VAL 86 CO -0.01 0.29 -0.03 -0.54 0.00 0.00 0.00 175.10 174.81 1waa s LYS 87 N 1.24 2.42 -0.14 2.72 1.02 0.64 -4.88 119.74 122.77 1waa s LYS 87 Ca 0.13 -0.89 -0.04 0.00 0.02 0.00 0.00 55.97 55.19 1waa s LYS 87 Cb -0.14 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1waa s LYS 87 CO 0.06 0.53 -0.00 -1.83 -0.92 0.00 0.00 175.35 173.19 1waa s GLU 88 N -2.28 3.50 0.00 1.68 -1.05 -1.26 -0.81 118.70 118.48 1waa s GLU 88 Ca 0.24 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 1waa s GLU 88 Cb -0.12 -2.93 0.00 0.00 -0.44 0.00 0.00 34.13 30.64 1waa s GLU 88 CO 0.17 0.41 0.00 1.28 0.95 0.00 0.00 175.26 178.07