#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1waa s ALA -2 N 0.00 3.19 -0.04 4.61 0.00 -1.26 -5.01 121.76 123.25 1waa s ALA -2 Ca 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1waa s ALA -2 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1waa s ALA -2 CO 0.00 -2.17 -0.14 1.41 0.00 0.00 0.00 175.76 174.86 1waa s MET -1 N 4.13 1.51 0.32 0.00 -2.45 -1.26 -5.13 119.30 116.43 1waa s MET -1 Ca 0.43 -0.49 -0.29 0.00 -1.25 0.00 0.00 55.69 54.09 1waa s MET -1 Cb -0.08 -1.32 -0.10 0.00 1.25 0.00 0.00 34.83 34.57 1waa s MET -1 CO 0.29 0.17 1.32 0.00 1.05 0.00 0.00 175.02 177.86 1waa s ALA 0 N 0.17 3.51 0.61 4.11 0.00 -1.26 -4.99 121.76 123.91 1waa s ALA 0 Ca -0.05 1.27 -0.19 0.00 0.00 0.00 0.00 51.96 52.99 1waa s ALA 0 Cb -0.11 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1waa s ALA 0 CO 0.02 -0.66 1.26 1.28 0.00 0.00 0.00 175.76 177.66 1waa n LEU 1 N 0.96 5.58 -4.72 0.00 4.32 -1.26 -4.96 117.00 116.91 1waa n LEU 1 Ca 0.01 0.87 -0.42 0.00 -0.02 0.00 0.00 56.01 56.45 1waa n LEU 1 Cb 0.42 -1.54 -0.03 0.00 -1.62 0.00 0.00 43.42 40.65 1waa n LEU 1 CO 0.59 -1.01 1.00 -0.63 -1.22 0.00 0.00 177.39 176.13 1waa s ILE 2 N -1.37 3.39 0.24 -0.08 -1.09 -1.26 -5.02 121.20 116.01 1waa s ILE 2 Ca 0.79 1.05 0.10 0.00 -2.23 0.00 0.00 60.65 60.36 1waa s ILE 2 Cb -0.40 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 1waa s ILE 2 CO 0.44 0.11 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.46 1waa s GLU 3 N 0.64 1.52 -0.08 2.79 2.02 -1.26 -4.02 118.70 120.31 1waa s GLU 3 Ca 0.61 -1.66 -0.24 0.00 0.02 0.00 0.00 54.97 53.69 1waa s GLU 3 Cb -0.35 -1.53 -0.03 0.00 0.10 0.00 0.00 34.13 32.31 1waa s GLU 3 CO 0.33 0.28 0.73 0.08 0.02 0.00 0.00 175.26 176.70 1waa s VAL 4 N -2.55 5.01 -0.26 2.63 1.01 -1.26 -0.71 120.40 124.28 1waa s VAL 4 Ca 0.26 1.49 -0.02 0.00 0.00 0.00 0.00 61.98 63.71 1waa s VAL 4 Cb -0.04 -4.07 -0.16 0.00 0.00 0.00 0.00 36.38 32.11 1waa s VAL 4 CO 0.11 0.21 -0.21 -0.62 0.00 0.00 0.00 175.10 174.59 1waa n GLU 5 N 4.02 0.64 -3.85 2.72 -0.58 0.54 -4.86 120.64 119.27 1waa n GLU 5 Ca -0.00 0.19 -0.28 0.00 -0.42 0.00 0.00 57.16 56.64 1waa n GLU 5 Cb 0.51 -1.53 -0.16 0.00 -0.57 0.00 0.00 31.44 29.69 1waa n GLU 5 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1waa s LYS 6 N -2.52 1.18 0.80 3.49 1.02 -0.84 -4.98 119.74 117.89 1waa s LYS 6 Ca -0.35 -0.61 -0.12 0.00 0.02 0.00 0.00 55.97 54.91 1waa s LYS 6 Cb 0.10 -2.20 0.07 0.00 -0.52 0.00 0.00 37.83 35.28 1waa s LYS 6 CO 0.59 -0.56 1.10 -1.25 -0.92 0.00 0.00 175.35 174.31 1waa s PRO 7 N 1.65 2.09 0.49 -1.68 0.04 -1.26 -1.33 135.00 135.01 1waa s PRO 7 Ca -0.02 0.61 -0.22 0.00 0.04 0.00 0.00 61.00 61.41 1waa s PRO 7 Cb -0.17 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 1waa s PRO 7 CO -0.07 -1.61 0.97 1.28 0.04 0.00 0.00 177.00 177.61 1waa n LEU 8 N -3.42 2.90 -4.26 -3.56 4.32 -1.25 -4.73 117.00 106.99 1waa n LEU 8 Ca 0.07 0.94 -0.19 0.00 -0.02 0.00 0.00 56.01 56.81 1waa n LEU 8 Cb 0.56 -1.36 -0.11 0.00 -1.62 0.00 0.00 43.42 40.89 1waa n LEU 8 CO 0.57 -1.68 -0.46 -0.72 -1.22 0.00 0.00 177.39 173.88 1waa s TYR 9 N -1.39 1.50 0.49 -1.77 1.13 -1.26 -4.76 117.35 111.29 1waa s TYR 9 Ca 0.68 -0.53 -0.23 0.00 -1.41 0.00 0.00 57.07 55.58 1waa s TYR 9 Cb -0.50 -0.78 -0.06 0.00 -1.10 0.00 0.00 41.96 39.52 1waa s TYR 9 CO 0.54 0.18 1.28 0.20 -2.51 0.00 0.00 175.55 175.24 1waa s GLY 10 N -2.45 2.85 0.02 5.49 0.00 -1.26 -4.72 107.32 107.26 1waa s GLY 10 Ca 0.10 1.18 0.04 0.00 0.00 0.00 0.00 44.72 46.04 1waa s GLY 10 CO 0.04 1.68 -0.13 -1.34 0.00 0.00 0.00 173.10 173.35 1waa s VAL 11 N -1.39 1.02 -0.17 1.40 -7.23 -0.20 -4.95 120.40 108.88 1waa s VAL 11 Ca 0.67 -0.85 -0.03 0.00 -1.81 0.00 0.00 61.98 59.95 1waa s VAL 11 Cb -0.36 -0.91 -0.02 0.00 0.56 0.00 0.00 36.38 35.65 1waa s VAL 11 CO 0.43 0.06 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.62 1waa s GLU 12 N -0.90 3.53 0.01 4.82 2.02 -1.26 -0.61 118.70 126.31 1waa s GLU 12 Ca 0.02 -0.59 0.02 0.00 0.02 0.00 0.00 54.97 54.44 1waa s GLU 12 Cb -0.07 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 1waa s GLU 12 CO 0.01 0.10 -0.06 0.54 0.02 0.00 0.00 175.26 175.87 1waa s VAL 13 N 0.70 0.43 0.47 2.63 0.11 -0.12 -4.99 120.40 119.63 1waa s VAL 13 Ca -0.03 -0.53 -0.12 0.00 -2.93 0.00 0.00 61.98 58.38 1waa s VAL 13 Cb -0.15 -0.42 -0.06 0.00 -1.53 0.00 0.00 36.38 34.22 1waa s VAL 13 CO 0.02 -0.08 0.86 -0.36 -3.33 0.00 0.00 175.10 172.21 1waa s PHE 14 N -0.59 3.50 0.38 1.54 0.40 -1.26 0.27 117.98 122.21 1waa s PHE 14 Ca -0.03 1.16 -0.28 0.00 -0.60 0.00 0.00 56.93 57.19 1waa s PHE 14 Cb -0.05 -2.56 -0.11 0.00 0.51 0.00 0.00 43.02 40.82 1waa s PHE 14 CO -0.00 -0.27 1.49 1.33 0.70 0.00 0.00 175.22 178.47 1waa n VAL 15 N -1.66 2.05 -0.05 -0.44 0.24 -0.58 -1.61 118.33 116.28 1waa n VAL 15 Ca 0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1waa n VAL 15 Cb 0.54 -1.97 0.00 0.00 -1.47 0.00 0.00 33.84 30.94 1waa n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1waa n GLY 16 N 0.45 2.16 3.98 7.63 0.00 0.31 -4.93 105.19 114.80 1waa n GLY 16 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.25 2.37 0.04 1.61 0.41 -0.63 -4.15 118.70 118.10 1waa s GLU 17 Ca 0.00 -0.92 0.03 0.00 -0.41 0.00 0.00 54.97 53.67 1waa s GLU 17 Cb 0.00 -2.48 -0.04 0.00 -1.78 0.00 0.00 34.13 29.83 1waa s GLU 17 CO 0.00 -0.85 -0.02 0.95 -0.49 0.00 0.00 175.26 174.85 1waa s THR 18 N -2.81 3.94 -0.01 3.63 -4.23 -1.26 -1.18 115.64 113.71 1waa s THR 18 Ca 0.59 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 1waa s THR 18 Cb -0.09 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 1waa s THR 18 CO 0.39 0.27 -0.13 0.00 -0.54 0.00 0.00 174.62 174.62 1waa s ALA 19 N -1.15 2.76 0.01 3.99 0.00 -0.22 -4.98 121.76 122.17 1waa s ALA 19 Ca 0.21 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1waa s ALA 19 Cb -0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 1waa s ALA 19 CO 0.13 0.58 -0.12 -3.38 0.00 0.00 0.00 175.76 172.97 1waa s HIS 20 N -0.86 1.02 0.16 0.00 -3.43 -1.26 -0.65 115.29 110.27 1waa s HIS 20 Ca 0.14 -0.25 0.11 0.00 -0.80 0.00 0.00 55.06 54.26 1waa s HIS 20 Cb -0.11 -0.64 -0.04 0.00 -1.43 0.00 0.00 32.58 30.36 1waa s HIS 20 CO 0.04 -0.00 -0.25 -0.06 -2.00 0.00 0.00 174.74 172.46 1waa s PHE 21 N -0.50 2.32 -0.04 0.38 0.08 -0.23 -4.93 117.98 115.06 1waa s PHE 21 Ca 0.03 -0.36 -0.18 0.00 0.12 0.00 0.00 56.93 56.53 1waa s PHE 21 Cb -0.06 -1.21 0.04 0.00 -0.57 0.00 0.00 43.02 41.22 1waa s PHE 21 CO 0.00 0.41 0.40 -1.83 -0.10 0.00 0.00 175.22 174.10 1waa s GLU 22 N -2.32 0.73 -0.02 0.44 -1.05 -1.26 -1.37 118.70 113.84 1waa s GLU 22 Ca 0.17 0.01 -0.06 0.00 -0.15 0.00 0.00 54.97 54.94 1waa s GLU 22 Cb -0.09 0.33 0.01 0.00 -0.44 0.00 0.00 34.13 33.94 1waa s GLU 22 CO 0.08 -0.20 0.14 -1.50 0.95 0.00 0.00 175.26 174.73 1waa s ILE 23 N -1.09 0.05 -0.16 1.83 2.07 -0.57 -3.93 121.20 119.41 1waa s ILE 23 Ca -0.11 -0.38 0.01 0.00 -1.41 0.00 0.00 60.65 58.75 1waa s ILE 23 Cb -0.04 -0.33 0.01 0.00 0.13 0.00 0.00 42.46 42.23 1waa s ILE 23 CO 0.05 -0.21 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.00 1waa s GLU 24 N -0.72 3.13 0.54 3.50 2.12 -0.44 -1.17 118.70 125.66 1waa s GLU 24 Ca -0.08 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.48 1waa s GLU 24 Cb -0.05 -2.59 0.03 0.00 0.26 0.00 0.00 34.13 31.78 1waa s GLU 24 CO 0.01 -0.06 0.76 -0.51 -0.54 0.00 0.00 175.26 174.92 1waa s LEU 25 N 0.98 3.31 0.09 2.70 1.43 0.55 -0.34 118.68 127.40 1waa s LEU 25 Ca -0.03 -0.01 0.25 0.00 -1.03 0.00 0.00 54.13 53.31 1waa s LEU 25 Cb -0.15 -2.88 0.98 0.00 0.03 0.00 0.00 46.19 44.18 1waa s LEU 25 CO -0.04 -1.10 1.78 -1.54 0.23 0.00 0.00 176.35 175.68 1waa n SER 26 N -2.31 0.33 -3.93 2.29 3.41 0.11 -4.64 113.62 108.89 1waa n SER 26 Ca 0.08 0.54 -0.12 0.00 -0.26 0.00 0.00 58.87 59.10 1waa n SER 26 Cb 0.60 -0.63 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 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 -3.07 0.20 0.68 4.33 0.41 -1.26 -4.96 118.70 115.03 1waa s GLU 27 Ca 0.11 -0.21 -0.11 0.00 -0.41 0.00 0.00 54.97 54.34 1waa s GLU 27 Cb 0.14 -0.10 -0.00 0.00 -1.78 0.00 0.00 34.13 32.39 1waa s GLU 27 CO 0.49 0.02 1.06 -1.25 -0.49 0.00 0.00 175.26 175.09 1waa s PRO 28 N -0.41 3.10 -1.47 0.39 0.04 -1.26 -4.38 135.00 131.00 1waa s PRO 28 Ca -0.03 0.70 -0.02 0.00 0.04 0.00 0.00 61.00 61.69 1waa s PRO 28 Cb -0.03 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1waa s PRO 28 CO -0.00 -0.92 0.29 -0.25 0.04 0.00 0.00 177.00 176.16 1waa n ASP 29 N -2.97 -5.49 -4.75 6.66 8.00 -0.86 -4.90 116.55 112.24 1waa n ASP 29 Ca 0.07 -0.14 -0.36 0.00 0.71 0.00 0.00 54.79 55.06 1waa n ASP 29 Cb 0.55 -4.43 -0.07 0.00 -0.02 0.00 0.00 41.12 37.15 1waa n ASP 29 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1waa s VAL 30 N -3.02 5.33 0.12 2.53 1.01 -1.26 -5.05 120.40 120.06 1waa s VAL 30 Ca 0.14 0.45 -0.31 0.00 0.00 0.00 0.00 61.98 62.27 1waa s VAL 30 Cb -0.06 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 1waa s VAL 30 CO 0.18 0.43 1.29 -2.28 0.00 0.00 0.00 175.10 174.72 1waa s HIS 31 N 0.23 3.33 0.18 5.22 2.46 -1.26 -5.01 115.29 120.44 1waa s HIS 31 Ca 0.15 1.17 0.11 0.00 0.47 0.00 0.00 55.06 56.96 1waa s HIS 31 Cb -0.13 -3.55 -0.04 0.00 -0.13 0.00 0.00 32.58 28.73 1waa s HIS 31 CO 0.03 -1.79 -0.22 0.20 -2.47 0.00 0.00 174.74 170.49 1waa s GLY 32 N 0.83 1.70 -0.05 1.59 0.00 -1.26 -4.15 107.32 105.97 1waa s GLY 32 Ca 0.60 -1.59 0.03 0.00 0.00 0.00 0.00 44.72 43.76 1waa s GLY 32 CO 0.32 -1.61 -0.12 1.62 0.00 0.00 0.00 173.10 173.31 1waa s GLN 33 N -2.61 1.52 0.04 2.90 0.74 0.00 -5.00 119.66 117.24 1waa s GLN 33 Ca 0.21 -0.41 0.05 0.00 0.05 0.00 0.00 55.36 55.26 1waa s GLN 33 Cb -0.08 -1.30 -0.04 0.00 1.10 0.00 0.00 33.01 32.69 1waa s GLN 33 CO 0.10 0.08 -0.10 -1.58 -0.55 0.00 0.00 175.29 173.25 1waa s TRP 34 N 0.46 2.79 0.05 1.67 0.52 -1.26 -1.35 118.94 121.82 1waa s TRP 34 Ca -0.10 -0.11 0.03 0.00 0.02 0.00 0.00 56.10 55.94 1waa s TRP 34 Cb -0.13 -1.53 -0.02 0.00 -1.15 0.00 0.00 33.47 30.63 1waa s TRP 34 CO 0.03 0.37 -0.10 0.15 0.02 0.00 0.00 176.95 177.41 1waa s LYS 35 N -1.66 0.65 -0.13 4.98 1.02 0.58 -1.44 119.74 123.74 1waa s LYS 35 Ca 0.18 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.38 1waa s LYS 35 Cb -0.11 -0.53 0.02 0.00 -0.52 0.00 0.00 37.83 36.69 1waa s LYS 35 CO 0.09 0.11 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.31 1waa s LEU 36 N -1.55 1.71 -1.47 3.17 1.98 -0.54 -0.95 118.68 121.03 1waa s LEU 36 Ca -0.06 -0.46 -0.11 0.00 -2.89 0.00 0.00 54.13 50.61 1waa s LEU 36 Cb -0.10 -1.15 0.06 0.00 0.66 0.00 0.00 46.19 45.66 1waa s LEU 36 CO 0.01 -0.02 0.85 0.29 -1.89 0.00 0.00 176.35 175.59 1waa n LYS 37 N 4.50 -5.40 -0.95 1.98 5.02 0.73 -1.61 118.16 122.44 1waa n LYS 37 Ca -0.18 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1waa n LYS 37 Cb 0.51 -5.55 0.00 0.00 -0.02 0.00 0.00 35.03 29.96 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 -1.61 1.00 3.50 0.72 0.00 -1.26 -5.01 105.19 102.52 1waa n GLY 38 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.04 3.74 0.29 1.61 -1.52 -0.63 -5.04 119.66 118.07 1waa s GLN 39 Ca 0.00 -0.44 -0.30 0.00 -1.95 0.00 0.00 55.36 52.67 1waa s GLN 39 Cb 0.00 -3.29 -0.13 0.00 -0.22 0.00 0.00 33.01 29.38 1waa s GLN 39 CO 0.00 -0.05 1.39 -2.30 -0.25 0.00 0.00 175.29 174.08 1waa n PRO 40 N 4.52 2.19 -3.89 2.91 -0.02 -1.26 -1.47 135.00 137.98 1waa n PRO 40 Ca -0.16 0.78 -0.36 0.00 -2.02 0.00 0.00 63.50 61.73 1waa n PRO 40 Cb 0.52 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 1waa n PRO 40 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1waa s LEU 41 N -0.51 4.37 0.01 2.45 1.43 -0.52 -4.88 118.68 121.03 1waa s LEU 41 Ca 0.62 0.44 0.05 0.00 -1.03 0.00 0.00 54.13 54.21 1waa s LEU 41 Cb -0.59 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 1waa s LEU 41 CO 0.55 0.37 -0.14 0.00 0.23 0.00 0.00 176.35 177.36 1waa s ALA 42 N -1.10 2.72 0.45 4.21 0.00 -1.26 -4.78 121.76 122.00 1waa s ALA 42 Ca 0.18 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 50.79 1waa s ALA 42 Cb -0.12 -0.89 -0.09 0.00 0.00 0.00 0.00 23.12 22.02 1waa s ALA 42 CO 0.07 0.58 1.28 0.00 0.00 0.00 0.00 175.76 177.69 1waa n ALA 43 N 1.71 1.32 -3.78 0.00 0.00 -1.26 -4.81 120.51 113.70 1waa n ALA 43 Ca -0.16 0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 1waa n ALA 43 Cb 0.52 -2.28 -0.01 0.00 0.00 0.00 0.00 19.45 17.68 1waa n ALA 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1waa s SER 44 N -0.62 -0.18 0.56 0.00 1.04 -0.26 -4.97 113.70 109.28 1waa s SER 44 Ca 0.63 -0.47 0.29 0.00 0.48 0.00 0.00 55.95 56.88 1waa s SER 44 Cb -0.49 0.54 1.47 0.00 0.10 0.00 0.00 66.02 67.65 1waa s SER 44 CO 0.56 -1.01 1.93 -0.65 0.98 0.00 0.00 173.24 175.06 1waa h PRO 45 N 2.00 0.00 -0.09 4.02 0.11 -2.00 -2.21 132.00 133.83 1waa h PRO 45 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1waa h PRO 45 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1waa h PRO 45 CO 0.26 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.80 1waa n ASP 46 N -4.03 2.63 -3.46 -2.05 8.00 -1.26 -4.71 116.55 111.68 1waa n ASP 46 Ca 0.11 -1.78 -0.27 0.00 0.71 0.00 0.00 54.79 53.55 1waa n ASP 46 Cb 0.70 -0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 41.64 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 1.29 3.95 -0.25 0.00 2.02 0.20 -1.10 118.70 124.81 1waa s GLU 48 Ca 0.16 -0.34 -0.06 0.00 0.02 0.00 0.00 54.97 54.75 1waa s GLU 48 Cb -0.21 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.69 1waa s GLU 48 CO -0.05 0.14 0.03 0.42 0.02 0.00 0.00 175.26 175.81 1waa s ILE 49 N 0.77 3.85 -0.02 -1.63 1.01 -1.26 -0.69 121.20 123.23 1waa s ILE 49 Ca 0.05 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.34 1waa s ILE 49 Cb -0.13 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 1waa s ILE 49 CO 0.02 0.31 -0.25 -0.63 0.00 0.00 0.00 174.94 174.39 1waa s ILE 50 N 1.53 1.96 -0.04 2.92 -1.09 0.59 -5.01 121.20 122.06 1waa s ILE 50 Ca 0.05 -1.06 0.02 0.00 -2.23 0.00 0.00 60.65 57.43 1waa s ILE 50 Cb -0.15 -1.63 0.01 0.00 -1.58 0.00 0.00 42.46 39.11 1waa s ILE 50 CO 0.01 0.55 -0.08 -0.70 -1.23 0.00 0.00 174.94 173.49 1waa s GLU 51 N -0.55 1.04 -0.28 2.79 2.12 -1.26 -0.76 118.70 121.79 1waa s GLU 51 Ca 0.09 -0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.20 1waa s GLU 51 Cb -0.10 -0.96 0.17 0.00 0.26 0.00 0.00 34.13 33.50 1waa s GLU 51 CO -0.01 0.01 0.46 0.34 -0.54 0.00 0.00 175.26 175.53 1waa s ASP 52 N 0.58 -0.21 1.85 -1.70 -1.08 -0.45 -5.04 116.67 110.62 1waa s ASP 52 Ca -0.09 -0.09 0.00 0.00 -0.52 0.00 0.00 52.55 51.85 1waa s ASP 52 Cb -0.12 1.39 0.00 0.00 -1.46 0.00 0.00 42.92 42.73 1waa s ASP 52 CO 0.01 -0.33 0.00 0.61 0.52 0.00 0.00 175.17 175.98 1waa n GLY 53 N 5.38 3.68 0.02 2.66 0.00 -1.26 -1.87 105.19 113.80 1waa n GLY 53 Ca 0.01 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 13.69 0.06 -3.52 1.61 5.02 -1.26 -2.02 118.16 131.74 1waa n LYS 54 Ca 0.00 0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 55.95 1waa n LYS 54 Cb 0.00 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.39 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 -3.03 4.03 -0.08 1.97 1.02 -0.78 -0.33 119.74 122.54 1waa s LYS 55 Ca 0.12 0.27 0.04 0.00 0.02 0.00 0.00 55.97 56.42 1waa s LYS 55 Cb 0.17 -3.31 -0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1waa s LYS 55 CO 0.60 0.48 -0.22 -1.01 -0.92 0.00 0.00 175.35 174.29 1waa s HIS 56 N -0.35 2.33 0.00 3.18 3.76 -0.32 -1.34 115.29 122.55 1waa s HIS 56 Ca 0.21 -0.87 0.04 0.00 -0.15 0.00 0.00 55.06 54.29 1waa s HIS 56 Cb -0.15 -1.56 -0.01 0.00 1.11 0.00 0.00 32.58 31.97 1waa s HIS 56 CO 0.09 -0.34 -0.12 0.42 -0.85 0.00 0.00 174.74 173.94 1waa s ILE 57 N 0.24 0.98 -0.11 0.60 1.01 0.06 -1.50 121.20 122.48 1waa s ILE 57 Ca -0.14 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1waa s ILE 57 Cb -0.16 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.48 1waa s ILE 57 CO 0.07 0.19 -0.16 -0.22 0.00 0.00 0.00 174.94 174.82 1waa s LEU 58 N -0.51 1.75 -0.18 2.97 2.96 -0.47 -0.30 118.68 124.90 1waa s LEU 58 Ca 0.04 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1waa s LEU 58 Cb -0.05 -1.10 0.00 0.00 0.50 0.00 0.00 46.19 45.53 1waa s LEU 58 CO -0.00 0.02 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.29 1waa s ILE 59 N 0.94 2.70 -0.29 6.68 1.01 0.13 -1.06 121.20 131.31 1waa s ILE 59 Ca -0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 1waa s ILE 59 Cb -0.15 -2.17 0.05 0.00 0.01 0.00 0.00 42.46 40.20 1waa s ILE 59 CO -0.01 0.50 -0.02 -0.76 0.00 0.00 0.00 174.94 174.65 1waa s LEU 60 N 1.08 3.83 0.32 2.97 1.43 0.18 -0.63 118.68 127.88 1waa s LEU 60 Ca -0.00 -1.29 -0.08 0.00 -1.03 0.00 0.00 54.13 51.74 1waa s LEU 60 Cb -0.14 -1.69 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 1waa s LEU 60 CO -0.04 -0.25 0.63 -1.00 0.23 0.00 0.00 176.35 175.92 1waa s HIS 61 N 1.23 3.47 -1.26 0.29 3.76 -0.11 -1.05 115.29 121.63 1waa s HIS 61 Ca -0.06 0.82 -0.08 0.00 -0.15 0.00 0.00 55.06 55.59 1waa s HIS 61 Cb -0.20 -2.25 -0.01 0.00 1.11 0.00 0.00 32.58 31.24 1waa s HIS 61 CO -0.02 0.09 0.67 -1.71 -0.85 0.00 0.00 174.74 172.92 1waa n ASN 62 N -0.95 -2.77 -4.77 1.40 5.15 -1.16 -4.88 115.26 107.29 1waa n ASN 62 Ca 0.00 -0.94 -0.40 0.00 -0.60 0.00 0.00 54.58 52.64 1waa n ASN 62 Cb 0.54 -3.59 0.01 0.00 -0.53 0.00 0.00 39.78 36.21 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 -2.29 1.26 0.30 0.00 -1.52 -1.26 -0.53 119.66 115.62 1waa s GLN 64 Ca 0.57 -1.28 0.05 0.00 -1.95 0.00 0.00 55.36 52.75 1waa s GLN 64 Cb -0.44 -1.58 0.79 0.00 -0.22 0.00 0.00 33.01 31.57 1waa s GLN 64 CO 0.58 0.36 1.66 1.25 -0.25 0.00 0.00 175.29 178.89 1waa h LEU 65 N 3.83 0.19 0.00 2.90 5.85 -1.94 0.15 115.31 126.30 1waa h LEU 65 Ca -0.47 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1waa h LEU 65 Cb 1.18 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1waa h LEU 65 CO 0.42 -0.11 0.00 0.61 -0.34 0.00 0.00 178.44 179.01 1waa n GLY 66 N -1.35 -0.57 0.02 3.75 0.00 -1.26 -2.40 105.19 103.39 1waa n GLY 66 Ca 0.24 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.26 0.12 -1.67 1.61 2.81 0.54 -4.92 117.12 114.36 1waa n MET 67 Ca 0.05 0.03 -0.46 0.00 -1.81 0.00 0.00 57.70 55.50 1waa n MET 67 Cb 0.07 -1.57 -0.04 0.00 -0.71 0.00 0.00 33.22 30.97 1waa n MET 67 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1waa n THR 68 N -1.74 0.01 -2.34 2.03 -1.04 -1.01 -4.82 114.28 105.38 1waa n THR 68 Ca 0.04 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1waa n THR 68 Cb 0.38 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 1waa n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1waa n GLY 69 N 3.39 -0.43 3.70 3.41 0.00 -0.43 -4.98 105.19 109.85 1waa n GLY 69 Ca 0.17 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 4.50 -0.19 1.61 2.12 -1.26 -0.95 118.70 122.53 1waa s GLU 70 Ca 0.00 1.47 -0.09 0.00 0.36 0.00 0.00 54.97 56.70 1waa s GLU 70 Cb 0.00 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 1waa s GLU 70 CO 0.00 -0.16 0.12 0.08 -0.54 0.00 0.00 175.26 174.76 1waa s VAL 71 N 1.34 5.32 0.08 3.70 1.01 0.38 -0.20 120.40 132.03 1waa s VAL 71 Ca 0.52 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.69 1waa s VAL 71 Cb -0.21 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1waa s VAL 71 CO 0.25 0.45 -0.11 -0.94 0.00 0.00 0.00 175.10 174.76 1waa s SER 72 N 0.28 1.37 -0.00 3.32 1.04 -0.13 -1.17 113.70 118.41 1waa s SER 72 Ca 0.08 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 55.80 1waa s SER 72 Cb -0.11 0.00 -0.00 0.00 0.10 0.00 0.00 66.02 66.01 1waa s SER 72 CO -0.01 -0.21 -0.03 0.12 0.98 0.00 0.00 173.24 174.09 1waa s PHE 73 N -1.96 0.27 -0.02 5.02 2.19 -0.22 -0.31 117.98 122.95 1waa s PHE 73 Ca 0.01 -0.05 0.00 0.00 0.33 0.00 0.00 56.93 57.22 1waa s PHE 73 Cb -0.06 -0.18 0.02 0.00 -1.31 0.00 0.00 43.02 41.49 1waa s PHE 73 CO 0.01 -0.01 0.01 -1.14 1.83 0.00 0.00 175.22 175.92 1waa s GLN 74 N -0.03 0.06 -0.20 10.12 0.74 -0.46 -1.53 119.66 128.36 1waa s GLN 74 Ca 0.01 0.11 -0.04 0.00 0.05 0.00 0.00 55.36 55.49 1waa s GLN 74 Cb -0.02 -0.25 0.09 0.00 1.10 0.00 0.00 33.01 33.93 1waa s GLN 74 CO -0.00 -0.12 0.19 0.00 -0.55 0.00 0.00 175.29 174.82 1waa s ALA 75 N 0.79 -0.12 0.00 1.58 0.00 -0.29 -0.82 121.76 122.90 1waa s ALA 75 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1waa s ALA 75 Cb -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1waa s ALA 75 CO -0.02 -1.22 0.00 0.00 0.00 0.00 0.00 175.76 174.52 1waa n ALA 76 N 5.31 0.00 1.25 0.00 0.00 -1.26 -1.38 120.51 124.43 1waa n ALA 76 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1waa n ALA 76 Cb 0.49 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.26 1waa n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1waa n ASN 77 N 6.31 1.71 -4.68 0.00 3.02 -1.26 -4.88 115.26 115.47 1waa n ASN 77 Ca 0.00 -1.40 -0.42 0.00 -0.03 0.00 0.00 54.58 52.72 1waa n ASN 77 Cb 0.00 0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 1waa n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1waa s THR 78 N -2.24 4.38 0.02 3.41 2.01 -0.48 -5.04 115.64 117.70 1waa s THR 78 Ca 0.29 1.69 0.03 0.00 0.31 0.00 0.00 61.69 64.00 1waa s THR 78 Cb 0.20 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 1waa s THR 78 CO 0.43 -0.02 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.70 1waa s LYS 79 N 2.37 0.66 -0.04 4.92 1.02 -1.26 -1.14 119.74 126.28 1waa s LYS 79 Ca 0.54 -0.56 -0.18 0.00 0.02 0.00 0.00 55.97 55.80 1waa s LYS 79 Cb -0.23 -0.59 0.03 0.00 -0.52 0.00 0.00 37.83 36.52 1waa s LYS 79 CO 0.20 0.15 0.38 0.45 -0.92 0.00 0.00 175.35 175.60 1waa s SER 80 N -0.88 -0.30 -0.00 2.83 0.15 -0.58 -4.94 113.70 109.97 1waa s SER 80 Ca -0.01 0.27 -0.10 0.00 0.70 0.00 0.00 55.95 56.81 1waa s SER 80 Cb -0.06 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.66 1waa s SER 80 CO 0.00 -0.44 0.20 0.00 1.20 0.00 0.00 173.24 174.21 1waa s ALA 81 N -1.14 -0.49 0.19 5.45 0.00 -1.26 -1.06 121.76 123.45 1waa s ALA 81 Ca -0.12 0.02 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 1waa s ALA 81 Cb -0.04 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1waa s ALA 81 CO 0.05 -0.24 0.45 0.00 0.00 0.00 0.00 175.76 176.02 1waa s ALA 82 N -1.45 -0.58 -0.08 0.00 0.00 -0.32 -4.78 121.76 114.54 1waa s ALA 82 Ca -0.14 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 1waa s ALA 82 Cb -0.06 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 1waa s ALA 82 CO 0.02 -0.77 0.19 -0.80 0.00 0.00 0.00 175.76 174.40 1waa s ASN 83 N -2.92 6.44 -0.33 0.00 0.02 -1.26 -0.47 114.94 116.42 1waa s ASN 83 Ca 0.13 0.51 -0.12 0.00 -1.02 0.00 0.00 52.86 52.37 1waa s ASN 83 Cb 0.00 -2.08 -0.01 0.00 0.02 0.00 0.00 41.25 39.18 1waa s ASN 83 CO -0.00 0.36 0.20 -0.22 0.02 0.00 0.00 177.10 177.46 1waa s LEU 84 N -1.25 4.35 -0.37 0.60 0.20 -0.12 -1.03 118.68 121.06 1waa s LEU 84 Ca 0.19 -0.46 -0.05 0.00 0.69 0.00 0.00 54.13 54.50 1waa s LEU 84 Cb -0.13 -2.08 0.08 0.00 -0.43 0.00 0.00 46.19 43.63 1waa s LEU 84 CO 0.08 -0.22 0.15 -0.54 -0.29 0.00 0.00 176.35 175.53 1waa s LYS 85 N 1.68 2.36 -0.20 1.98 1.02 0.22 -1.31 119.74 125.48 1waa s LYS 85 Ca 0.05 -1.48 -0.18 0.00 0.02 0.00 0.00 55.97 54.38 1waa s LYS 85 Cb -0.17 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 1waa s LYS 85 CO 0.09 -0.86 0.49 0.14 -0.92 0.00 0.00 175.35 174.29 1waa s VAL 86 N 1.28 5.13 0.06 3.17 -7.23 -1.26 -0.94 120.40 120.60 1waa s VAL 86 Ca 0.02 0.90 0.05 0.00 -1.81 0.00 0.00 61.98 61.14 1waa s VAL 86 Cb -0.21 -3.82 -0.04 0.00 0.56 0.00 0.00 36.38 32.87 1waa s VAL 86 CO -0.01 0.19 -0.06 -1.59 -0.31 0.00 0.00 175.10 173.33 1waa s LYS 87 N 1.56 2.42 -1.09 4.82 -2.85 0.14 -4.84 119.74 119.91 1waa s LYS 87 Ca 0.23 -0.85 -0.02 0.00 -1.00 0.00 0.00 55.97 54.33 1waa s LYS 87 Cb -0.15 -2.46 0.28 0.00 -2.06 0.00 0.00 37.83 33.44 1waa s LYS 87 CO 0.09 0.55 1.95 -1.91 0.10 0.00 0.00 175.35 176.14 1waa n GLU 88 N 0.99 5.26 -0.75 1.78 2.13 -1.26 -1.52 120.64 127.27 1waa n GLU 88 Ca -0.13 -4.40 0.00 0.00 0.66 0.00 0.00 57.16 53.29 1waa n GLU 88 Cb 0.52 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.73 1waa n GLU 88 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61