#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d7h h PRO 2 N 0.00 -0.36 -6.28 0.03 0.13 -2.15 -3.46 132.00 119.91 2d7h h PRO 2 Ca 0.00 0.02 -0.55 0.00 -0.87 0.00 0.00 66.00 64.61 2d7h h PRO 2 Cb 0.00 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.17 2d7h h PRO 2 CO 0.00 -0.24 0.16 0.14 -0.23 0.00 0.00 178.00 177.83 2d7h s VAL 3 N -2.86 4.76 -0.19 1.56 -7.23 -1.26 -5.06 120.40 110.12 2d7h s VAL 3 Ca -0.05 1.62 -0.02 0.00 -1.81 0.00 0.00 61.98 61.72 2d7h s VAL 3 Cb 0.01 -4.11 -0.01 0.00 0.56 0.00 0.00 36.38 32.83 2d7h s VAL 3 CO 0.16 0.35 -0.09 0.00 -0.31 0.00 0.00 175.10 175.22 2d7h s ALA 4 N 0.04 2.70 -0.42 1.32 0.00 -1.26 -5.07 121.76 119.07 2d7h s ALA 4 Ca 0.39 -1.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 2d7h s ALA 4 Cb -0.20 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.44 2d7h s ALA 4 CO 0.23 -0.22 0.56 -1.01 0.00 0.00 0.00 175.76 175.31 2d7h s HIS 5 N 1.12 3.11 -0.03 0.00 3.76 -1.26 -5.05 115.29 116.95 2d7h s HIS 5 Ca 0.01 -0.15 0.03 0.00 -0.15 0.00 0.00 55.06 54.80 2d7h s HIS 5 Cb -0.14 -3.14 -0.03 0.00 1.11 0.00 0.00 32.58 30.37 2d7h s HIS 5 CO -0.02 -0.77 -0.09 0.08 -0.85 0.00 0.00 174.74 173.08 2d7h s VAL 6 N 2.53 3.50 -0.07 -0.90 1.01 -1.26 -5.10 120.40 120.11 2d7h s VAL 6 Ca 0.18 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 2d7h s VAL 6 Cb -0.15 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 2d7h s VAL 6 CO 0.16 0.50 0.48 0.00 0.00 0.00 0.00 175.10 176.24 2d7h s ALA 7 N -0.87 3.54 0.10 5.51 0.00 -1.26 -5.08 121.76 123.69 2d7h s ALA 7 Ca 0.14 -0.16 0.10 0.00 0.00 0.00 0.00 51.96 52.04 2d7h s ALA 7 Cb -0.11 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 2d7h s ALA 7 CO 0.04 0.16 -0.26 -0.51 0.00 0.00 0.00 175.76 175.18 2d7h s LEU 8 N 0.03 2.26 -0.55 0.00 1.43 -1.26 -5.05 118.68 115.54 2d7h s LEU 8 Ca 0.26 -0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 52.41 2d7h s LEU 8 Cb -0.16 -1.22 -0.09 0.00 0.03 0.00 0.00 46.19 44.75 2d7h s LEU 8 CO 0.12 0.20 2.44 -2.65 0.23 0.00 0.00 176.35 176.69 2d7h n PRO 9 N 1.26 0.93 0.00 1.29 -0.02 -1.26 -4.66 135.00 132.54 2d7h n PRO 9 Ca -0.18 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 2d7h n PRO 9 Cb 0.53 -3.32 0.00 0.00 -0.02 0.00 0.00 33.50 30.69 2d7h n PRO 9 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2d7h n VAL 10 N 8.01 0.00 0.00 -1.45 0.31 -1.26 -5.23 118.33 118.70 2d7h n VAL 10 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 2d7h n VAL 10 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 2d7h n VAL 10 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2d7h n PRO 11 N 0.00 0.00 -1.53 5.55 -0.02 -1.26 -5.14 135.00 132.60 2d7h n PRO 11 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.30 2d7h n PRO 11 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.33 2d7h n PRO 11 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2d7h n PRO 13 N 0.00 0.27 -2.61 0.52 -0.02 -1.26 -5.13 135.00 126.77 2d7h n PRO 13 Ca 0.00 -0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 60.64 2d7h n PRO 13 Cb 0.00 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.15 2d7h n PRO 13 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2d7h s ARG 14 N 7.92 3.52 0.44 -0.52 0.52 -1.26 -5.00 118.95 124.58 2d7h s ARG 14 Ca 1.12 0.23 0.06 0.00 -0.52 0.00 0.00 55.73 56.62 2d7h s ARG 14 Cb -0.50 -4.00 -0.05 0.00 0.52 0.00 0.00 34.95 30.92 2d7h s ARG 14 CO 0.33 -1.62 0.09 0.95 0.02 0.00 0.00 175.30 175.07 2d7h s THR 15 N 4.77 1.90 -0.13 0.02 -4.23 -1.26 -5.00 115.64 111.70 2d7h s THR 15 Ca 0.42 -1.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.01 2d7h s THR 15 Cb -0.08 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 2d7h s THR 15 CO 0.26 0.00 0.05 -0.36 -0.54 0.00 0.00 174.62 174.03 2d7h s PHE 16 N -2.72 3.28 -0.16 3.99 0.40 -1.26 -5.09 117.98 116.42 2d7h s PHE 16 Ca 0.31 0.19 -0.11 0.00 -0.60 0.00 0.00 56.93 56.72 2d7h s PHE 16 Cb 0.05 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.60 2d7h s PHE 16 CO 0.16 0.38 0.20 -0.51 0.70 0.00 0.00 175.22 176.15 2d7h s ASP 17 N -0.38 6.35 0.05 1.36 1.01 -1.26 -5.04 116.67 118.76 2d7h s ASP 17 Ca 0.09 0.41 0.02 0.00 0.71 0.00 0.00 52.55 53.78 2d7h s ASP 17 Cb -0.12 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 2d7h s ASP 17 CO 0.02 0.21 -0.07 -0.31 0.21 0.00 0.00 175.17 175.23 2d7h s TYR 18 N 0.02 0.70 0.22 4.23 1.51 -1.26 -4.88 117.35 117.88 2d7h s TYR 18 Ca 0.13 -0.58 -0.28 0.00 -1.01 0.00 0.00 57.07 55.33 2d7h s TYR 18 Cb -0.12 -0.42 -0.09 0.00 -0.11 0.00 0.00 41.96 41.22 2d7h s TYR 18 CO 0.02 -0.10 0.88 -1.17 -1.11 0.00 0.00 175.55 174.07 2d7h s LEU 19 N -1.84 4.63 0.00 -1.29 2.96 -1.20 -4.97 118.68 116.96 2d7h s LEU 19 Ca -0.06 1.84 0.00 0.00 -0.22 0.00 0.00 54.13 55.69 2d7h s LEU 19 Cb -0.07 -3.50 0.00 0.00 0.50 0.00 0.00 46.19 43.11 2d7h s LEU 19 CO -0.01 0.17 0.00 0.18 -1.32 0.00 0.00 176.35 175.38 2d7h n LEU 20 N 1.51 0.00 -4.51 -0.68 4.77 -1.26 -4.55 117.00 112.27 2d7h n LEU 20 Ca -0.03 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 2d7h n LEU 20 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 2d7h n LEU 20 CO 0.49 0.00 0.45 -0.70 -1.33 0.00 0.00 177.39 176.30 2d7h s GLU 22 N 0.33 3.29 0.00 3.23 2.12 -1.26 -4.78 118.70 121.63 2d7h s GLU 22 Ca 0.00 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 54.97 2d7h s GLU 22 Cb 0.00 -3.98 0.00 0.00 0.26 0.00 0.00 34.13 30.41 2d7h s GLU 22 CO 0.00 -1.11 0.00 0.41 -0.54 0.00 0.00 175.26 174.02 2d7h n GLY 23 N 5.05 0.82 3.48 -1.50 0.00 -1.26 -5.08 105.19 106.71 2d7h n GLY 23 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2d7h n GLY 23 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2d7h s MET 24 N -0.91 3.64 0.00 1.61 1.75 -1.26 -5.11 119.30 119.02 2d7h s MET 24 Ca 0.00 -0.53 0.04 0.00 -1.25 0.00 0.00 55.69 53.95 2d7h s MET 24 Cb 0.00 -2.94 -0.01 0.00 2.84 0.00 0.00 34.83 34.72 2d7h s MET 24 CO 0.00 0.18 -0.13 -0.08 -0.65 0.00 0.00 175.02 174.34 2d7h s THR 25 N 0.52 1.06 0.03 10.11 -1.32 -1.26 -4.98 115.64 119.79 2d7h s THR 25 Ca -0.03 -0.66 -0.10 0.00 -1.21 0.00 0.00 61.69 59.69 2d7h s THR 25 Cb -0.14 -0.90 0.01 0.00 -1.51 0.00 0.00 72.50 69.95 2d7h s THR 25 CO 0.03 0.24 0.21 0.68 -2.21 0.00 0.00 174.62 173.56 2d7h s VAL 26 N -0.42 0.10 0.24 5.08 -7.23 -1.26 -4.92 120.40 111.98 2d7h s VAL 26 Ca 0.04 -0.79 0.04 0.00 -1.81 0.00 0.00 61.98 59.47 2d7h s VAL 26 Cb -0.06 -0.79 -0.05 0.00 0.56 0.00 0.00 36.38 36.04 2d7h s VAL 26 CO -0.00 -0.43 -0.02 -1.59 -0.31 0.00 0.00 175.10 172.74 2d7h s LYS 27 N -2.18 1.38 0.28 4.82 -2.85 -1.26 -4.94 119.74 114.99 2d7h s LYS 27 Ca -0.08 -1.69 -0.27 0.00 -1.00 0.00 0.00 55.97 52.93 2d7h s LYS 27 Cb -0.03 -0.75 -0.15 0.00 -2.06 0.00 0.00 37.83 34.84 2d7h s LYS 27 CO -0.02 -0.06 0.75 0.00 0.10 0.00 0.00 175.35 176.13 2d7h n ALA 28 N -0.45 -1.40 -0.60 0.59 0.00 -1.26 -2.41 120.51 114.96 2d7h n ALA 28 Ca -0.05 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2d7h n ALA 28 Cb 0.64 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2d7h n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d7h n GLY 29 N 1.60 0.75 3.65 0.00 0.00 -0.65 -4.49 105.19 106.06 2d7h n GLY 29 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2d7h n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d7h s ARG 31 N -0.03 4.33 0.00 0.00 0.52 -1.26 -0.42 118.95 122.08 2d7h s ARG 31 Ca 0.05 1.63 -0.03 0.00 -0.52 0.00 0.00 55.73 56.87 2d7h s ARG 31 Cb -0.12 -2.78 -0.01 0.00 0.52 0.00 0.00 34.95 32.56 2d7h s ARG 31 CO 0.01 -0.02 0.05 0.14 0.02 0.00 0.00 175.30 175.50 2d7h s VAL 32 N -1.46 0.07 -0.22 3.52 -7.23 0.53 -0.61 120.40 114.99 2d7h s VAL 32 Ca 0.53 -0.54 -0.17 0.00 -1.81 0.00 0.00 61.98 59.99 2d7h s VAL 32 Cb -0.26 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 2d7h s VAL 32 CO 0.33 -0.30 0.44 -0.60 -0.31 0.00 0.00 175.10 174.66 2d7h s ARG 33 N -0.92 4.13 0.09 4.82 3.52 -0.66 0.79 118.95 130.71 2d7h s ARG 33 Ca -0.10 0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.75 2d7h s ARG 33 Cb -0.06 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 2d7h s ARG 33 CO 0.00 -0.15 -0.05 0.14 -0.81 0.00 0.00 175.30 174.42 2d7h s VAL 34 N 1.67 0.57 0.50 7.11 -7.23 0.15 -1.83 120.40 121.34 2d7h s VAL 34 Ca 0.20 -1.91 -0.21 0.00 -1.81 0.00 0.00 61.98 58.25 2d7h s VAL 34 Cb -0.15 -1.67 -0.07 0.00 0.56 0.00 0.00 36.38 35.06 2d7h s VAL 34 CO 0.09 -0.88 1.16 -2.16 -0.31 0.00 0.00 175.10 172.99 2d7h s PRO 35 N -3.86 3.57 -0.20 4.82 0.04 -1.26 -1.82 135.00 136.29 2d7h s PRO 35 Ca 0.11 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 2d7h s PRO 35 Cb 0.06 -2.24 0.07 0.00 0.04 0.00 0.00 34.50 32.43 2d7h s PRO 35 CO -0.06 -0.70 0.07 0.12 0.04 0.00 0.00 177.00 176.48 2d7h s PHE 36 N -1.62 0.73 0.10 0.56 5.36 -1.26 -4.89 117.98 116.95 2d7h s PHE 36 Ca 0.68 -0.74 0.00 0.00 -0.96 0.00 0.00 56.93 55.90 2d7h s PHE 36 Cb -0.27 -0.95 0.00 0.00 -0.34 0.00 0.00 43.02 41.46 2d7h s PHE 36 CO 0.32 -0.62 0.00 0.41 -1.46 0.00 0.00 175.22 173.87 2d7h n GLY 37 N 5.13 -0.94 1.33 13.12 0.00 -1.26 -2.75 105.19 119.81 2d7h n GLY 37 Ca -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2d7h n GLY 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2d7h n LYS 38 N -2.16 0.59 0.00 1.61 4.81 -1.26 -5.04 118.16 116.71 2d7h n LYS 38 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2d7h n LYS 38 Cb 0.20 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.05 2d7h n LYS 38 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2d7h n GLN 39 N 1.17 0.00 -2.65 1.64 7.27 -1.11 -5.32 117.38 118.38 2d7h n GLN 39 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 2d7h n GLN 39 Cb 0.30 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.94 2d7h n GLN 39 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2d7h s GLU 41 N 3.42 3.62 -0.06 3.69 0.41 -1.26 -4.70 118.70 123.82 2d7h s GLU 41 Ca 0.00 0.32 -0.30 0.00 -0.41 0.00 0.00 54.97 54.58 2d7h s GLU 41 Cb 0.00 -2.36 0.09 0.00 -1.78 0.00 0.00 34.13 30.08 2d7h s GLU 41 CO 0.00 -0.18 0.81 1.03 -0.49 0.00 0.00 175.26 176.43 2d7h s ARG 42 N -4.49 0.89 0.11 1.61 0.52 -0.76 -4.87 118.95 111.96 2d7h s ARG 42 Ca 0.49 0.06 -0.19 0.00 -0.52 0.00 0.00 55.73 55.57 2d7h s ARG 42 Cb -0.10 0.42 -0.07 0.00 0.52 0.00 0.00 34.95 35.71 2d7h s ARG 42 CO 0.41 -0.31 0.60 0.42 0.02 0.00 0.00 175.30 176.44 2d7h s ILE 43 N -1.71 4.71 0.22 1.52 1.01 -1.26 -0.68 121.20 125.01 2d7h s ILE 43 Ca -0.04 1.20 -0.05 0.00 0.00 0.00 0.00 60.65 61.75 2d7h s ILE 43 Cb -0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2d7h s ILE 43 CO 0.02 0.47 0.26 -0.83 0.00 0.00 0.00 174.94 174.87 2d7h s GLY 44 N -1.26 1.10 -0.11 6.18 0.00 0.24 -4.95 107.32 108.51 2d7h s GLY 44 Ca 0.32 -1.39 0.02 0.00 0.00 0.00 0.00 44.72 43.67 2d7h s GLY 44 CO 0.20 -1.11 -0.17 -0.42 0.00 0.00 0.00 173.10 171.60 2d7h s ILE 45 N -4.11 2.69 -0.10 0.90 1.01 -1.26 0.20 121.20 120.52 2d7h s ILE 45 Ca 0.33 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 2d7h s ILE 45 Cb 0.04 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 2d7h s ILE 45 CO 0.11 0.54 1.60 -0.69 0.00 0.00 0.00 174.94 176.50 2d7h s VAL 46 N 0.28 3.69 -0.09 2.92 1.01 0.44 -4.86 120.40 123.80 2d7h s VAL 46 Ca -0.12 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 2d7h s VAL 46 Cb -0.16 -3.57 -0.26 0.00 0.00 0.00 0.00 36.38 32.39 2d7h s VAL 46 CO 0.07 -0.12 0.49 0.58 0.00 0.00 0.00 175.10 176.12 2d7h h VAL 47 N 5.70 0.73 -2.67 2.92 2.07 -1.92 -1.72 116.25 121.36 2d7h h VAL 47 Ca -0.36 -2.47 0.02 0.00 0.82 0.00 0.00 66.70 64.70 2d7h h VAL 47 Cb 1.16 2.52 -0.14 0.00 -1.52 0.00 0.00 31.29 33.31 2d7h h VAL 47 CO 0.97 0.79 0.31 -0.55 0.02 0.00 0.00 177.57 179.11 2d7h s SER 48 N -6.81 -0.50 -0.18 0.57 0.15 -1.26 -4.76 113.70 100.90 2d7h s SER 48 Ca -0.17 0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.54 2d7h s SER 48 Cb 0.07 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.93 2d7h s SER 48 CO 0.79 -0.82 -0.13 -0.69 1.20 0.00 0.00 173.24 173.60 2d7h s VAL 49 N -3.33 1.67 -0.38 4.45 1.01 -1.26 -4.98 120.40 117.58 2d7h s VAL 49 Ca 0.01 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.24 2d7h s VAL 49 Cb -0.01 -1.65 0.34 0.00 0.00 0.00 0.00 36.38 35.06 2d7h s VAL 49 CO -0.10 0.32 0.76 0.47 0.00 0.00 0.00 175.10 176.54 2d7h n ASP 51 N 4.71 0.40 -3.61 3.32 8.00 -1.26 -5.14 116.55 122.97 2d7h n ASP 51 Ca -0.16 -3.06 -0.08 0.00 0.71 0.00 0.00 54.79 52.20 2d7h n ASP 51 Cb 0.48 -0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 41.21 2d7h n ASP 51 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2d7h s SER 53 N -2.20 -0.27 0.10 -2.24 0.15 -1.26 -5.17 113.70 102.80 2d7h s SER 53 Ca 0.38 0.35 -0.26 0.00 0.70 0.00 0.00 55.95 57.11 2d7h s SER 53 Cb 0.33 0.29 -0.11 0.00 -1.71 0.00 0.00 66.02 64.82 2d7h s SER 53 CO -0.08 -0.22 1.67 -0.08 1.20 0.00 0.00 173.24 175.73 2d7h h GLU 54 N 2.69 -0.37 -6.64 5.44 4.81 -2.02 -3.44 114.58 115.05 2d7h h GLU 54 Ca -0.18 0.02 -0.43 0.00 -0.13 0.00 0.00 59.36 58.65 2d7h h GLU 54 Cb 1.17 0.08 0.03 0.00 0.63 0.00 0.00 28.75 30.67 2d7h h GLU 54 CO 0.25 -0.24 -0.15 -0.51 -0.73 0.00 0.00 179.01 177.63 2d7h s LEU 55 N -10.23 3.50 0.28 1.64 1.02 -1.26 -5.05 118.68 108.59 2d7h s LEU 55 Ca -0.15 -0.15 -0.28 0.00 0.02 0.00 0.00 54.13 53.57 2d7h s LEU 55 Cb 0.07 -2.81 -0.14 0.00 0.02 0.00 0.00 46.19 43.33 2d7h s LEU 55 CO 0.65 -0.91 1.03 -2.65 0.02 0.00 0.00 176.35 174.49 2d7h n PRO 56 N -2.09 1.36 0.00 1.29 -0.02 -1.26 -4.77 135.00 129.51 2d7h n PRO 56 Ca 0.07 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2d7h n PRO 56 Cb 0.59 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2d7h n PRO 56 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2d7h n LEU 57 N 1.27 1.75 0.00 2.45 4.32 -1.26 -3.40 117.00 122.13 2d7h n LEU 57 Ca 0.10 -0.87 0.00 0.00 -0.02 0.00 0.00 56.01 55.21 2d7h n LEU 57 Cb 0.32 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 2d7h n LEU 57 CO 0.60 0.31 0.00 -3.20 -1.22 0.00 0.00 177.39 173.88 2d7h n ASN 58 N 0.52 0.00 -4.63 -1.43 4.05 -1.26 -5.15 115.26 107.36 2d7h n ASN 58 Ca 0.00 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.60 2d7h n ASN 58 Cb 0.31 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.29 2d7h n ASN 58 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2d7h s GLU 59 N -0.86 3.80 0.17 1.20 2.12 -1.22 -5.08 118.70 118.83 2d7h s GLU 59 Ca 0.00 1.68 -0.33 0.00 0.36 0.00 0.00 54.97 56.68 2d7h s GLU 59 Cb 0.00 -4.04 -0.15 0.00 0.26 0.00 0.00 34.13 30.20 2d7h s GLU 59 CO 0.00 -1.29 1.33 1.63 -0.54 0.00 0.00 175.26 176.38 2d7h n LYS 61 N 7.66 1.54 0.00 4.30 5.02 -1.26 -4.74 118.16 130.68 2d7h n LYS 61 Ca 0.19 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 2d7h n LYS 61 Cb 0.45 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 2d7h n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2d7h n ALA 62 N 2.10 0.17 0.01 7.82 0.00 -1.26 -3.27 120.51 126.07 2d7h n ALA 62 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2d7h n ALA 62 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2d7h n ALA 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2d7h n VAL 64 N 0.00 0.11 -3.82 0.00 0.31 -0.76 -4.16 118.33 110.01 2d7h n VAL 64 Ca 0.00 0.04 -0.09 0.00 -0.01 0.00 0.00 64.34 64.28 2d7h n VAL 64 Cb 0.00 -0.95 -0.04 0.00 -0.91 0.00 0.00 33.84 31.94 2d7h n VAL 64 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2d7h s GLU 65 N -1.10 1.52 -0.23 5.55 2.12 -1.02 -5.02 118.70 120.52 2d7h s GLU 65 Ca 0.00 -0.97 -0.15 0.00 0.36 0.00 0.00 54.97 54.20 2d7h s GLU 65 Cb 0.00 0.53 -0.04 0.00 0.26 0.00 0.00 34.13 34.89 2d7h s GLU 65 CO 0.00 -0.66 0.38 0.54 -0.54 0.00 0.00 175.26 174.99 2d7h s VAL 66 N -3.91 5.19 -1.04 3.70 0.11 -1.26 -1.66 120.40 121.52 2d7h s VAL 66 Ca 0.12 0.64 0.25 0.00 -2.93 0.00 0.00 61.98 60.07 2d7h s VAL 66 Cb -0.02 -3.71 0.05 0.00 -1.53 0.00 0.00 36.38 31.16 2d7h s VAL 66 CO 0.02 0.21 1.48 0.18 -3.33 0.00 0.00 175.10 173.66 2d7h n LEU 67 N 4.82 0.47 -3.79 2.54 4.32 0.22 -4.84 117.00 120.74 2d7h n LEU 67 Ca -0.08 0.04 -0.15 0.00 -0.02 0.00 0.00 56.01 55.79 2d7h n LEU 67 Cb 0.51 -0.27 -0.16 0.00 -1.62 0.00 0.00 43.42 41.88 2d7h n LEU 67 CO 0.39 0.12 -0.35 -1.81 -1.22 0.00 0.00 177.39 174.51 2d7h s ASP 68 N -2.97 0.10 0.07 -1.43 1.01 -1.20 -4.90 116.67 107.36 2d7h s ASP 68 Ca 0.12 0.03 -0.06 0.00 0.71 0.00 0.00 52.55 53.35 2d7h s ASP 68 Cb 0.18 -0.08 -0.29 0.00 1.01 0.00 0.00 42.92 43.75 2d7h s ASP 68 CO 0.67 -0.11 1.13 0.77 0.21 0.00 0.00 175.17 177.84 2d7h h SER 69 N 7.13 0.49 -3.55 0.27 4.64 -1.91 -3.44 113.55 117.17 2d7h h SER 69 Ca -0.43 -0.52 -0.67 0.00 -0.47 0.00 0.00 61.79 59.71 2d7h h SER 69 Cb 1.13 -0.16 -0.17 0.00 -0.31 0.00 0.00 62.40 62.90 2d7h h SER 69 CO 0.48 1.40 -0.77 -0.70 -0.87 0.00 0.00 176.83 176.37 2d7h s GLU 70 N -2.68 1.92 0.20 4.77 2.56 -1.26 -4.72 118.70 119.50 2d7h s GLU 70 Ca -0.05 -1.15 -0.32 0.00 0.00 0.00 0.00 54.97 53.45 2d7h s GLU 70 Cb 0.07 -2.17 -0.11 0.00 2.00 0.00 0.00 34.13 33.91 2d7h s GLU 70 CO 0.89 0.48 1.65 -2.14 -0.56 0.00 0.00 175.26 175.59 2d7h s PRO 71 N -2.28 4.16 0.13 4.30 0.02 -1.26 -4.74 135.00 135.32 2d7h s PRO 71 Ca 0.20 2.52 0.20 0.00 0.02 0.00 0.00 61.00 63.94 2d7h s PRO 71 Cb -0.10 -3.10 0.82 0.00 0.02 0.00 0.00 34.50 32.14 2d7h s PRO 71 CO 0.12 -0.69 1.62 1.55 -0.33 0.00 0.00 177.00 179.27 2d7h n VAL 72 N 3.79 0.85 -4.28 3.83 3.14 -0.14 -4.68 118.33 120.83 2d7h n VAL 72 Ca 0.14 0.20 -0.31 0.00 -2.96 0.00 0.00 64.34 61.41 2d7h n VAL 72 Cb 0.37 -1.02 -0.09 0.00 -1.06 0.00 0.00 33.84 32.03 2d7h n VAL 72 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2d7h s PHE 73 N -3.15 2.94 0.71 1.45 0.40 -1.25 -5.05 117.98 114.04 2d7h s PHE 73 Ca 0.06 -0.02 -0.11 0.00 -0.60 0.00 0.00 56.93 56.26 2d7h s PHE 73 Cb 0.10 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 42.07 2d7h s PHE 73 CO 0.35 0.43 1.07 0.99 0.70 0.00 0.00 175.22 178.77 2d7h s THR 74 N -1.15 3.80 0.23 0.64 2.01 -1.26 -4.80 115.64 115.11 2d7h s THR 74 Ca 0.21 0.61 -0.08 0.00 0.31 0.00 0.00 61.69 62.74 2d7h s THR 74 Cb -0.11 -3.26 0.21 0.00 0.01 0.00 0.00 72.50 69.35 2d7h s THR 74 CO 0.12 -0.74 1.90 0.45 -0.69 0.00 0.00 174.62 175.66 2d7h h HIS 75 N -0.73 1.10 0.54 4.92 -0.00 -1.99 0.25 115.15 119.23 2d7h h HIS 75 Ca -0.44 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 59.93 2d7h h HIS 75 Cb 1.22 -0.37 0.01 0.00 -0.00 0.00 0.00 27.41 28.26 2d7h h HIS 75 CO 0.60 0.67 -0.26 1.03 -0.00 0.00 0.00 177.93 179.98 2d7h h SER 76 N 1.17 -0.61 -0.79 2.45 0.87 -2.00 -2.41 113.55 112.23 2d7h h SER 76 Ca 0.34 0.02 0.15 0.00 -1.23 0.00 0.00 61.79 61.07 2d7h h SER 76 Cb -0.09 0.16 -0.15 0.00 -0.44 0.00 0.00 62.40 61.89 2d7h h SER 76 CO -0.09 -0.42 -0.25 0.58 -0.53 0.00 0.00 176.83 176.12 2d7h h VAL 77 N -0.75 0.16 0.42 2.23 2.07 -1.88 -0.40 116.25 118.10 2d7h h VAL 77 Ca -0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2d7h h VAL 77 Cb 0.55 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2d7h h VAL 77 CO 0.12 0.00 -0.38 -0.25 0.02 0.00 0.00 177.57 177.08 2d7h h TRP 78 N -0.03 -1.02 -0.58 1.57 2.91 -0.98 0.32 115.95 118.13 2d7h h TRP 78 Ca 0.35 0.00 0.12 0.00 1.13 0.00 0.00 58.89 60.50 2d7h h TRP 78 Cb 0.58 0.39 -0.11 0.00 -0.51 0.00 0.00 29.16 29.52 2d7h h TRP 78 CO -0.67 -0.53 -0.09 -0.09 -1.03 0.00 0.00 178.44 176.03 2d7h h ARG 79 N -0.80 0.04 0.62 2.65 2.43 -0.73 0.13 114.38 118.72 2d7h h ARG 79 Ca -0.04 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2d7h h ARG 79 Cb 0.71 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2d7h h ARG 79 CO -0.04 0.03 -0.39 1.25 -1.51 0.00 0.00 179.97 179.31 2d7h h LEU 80 N 0.04 -0.98 -0.59 3.80 7.12 -0.73 -1.40 115.31 122.58 2d7h h LEU 80 Ca 0.29 0.06 0.10 0.00 0.13 0.00 0.00 57.88 58.45 2d7h h LEU 80 Cb 0.45 0.29 -0.08 0.00 -0.53 0.00 0.00 40.66 40.80 2d7h h LEU 80 CO -0.56 -0.60 0.18 -0.07 -0.13 0.00 0.00 178.44 177.26 2d7h h LEU 81 N -0.96 0.13 -1.30 2.25 3.38 0.51 -0.28 115.31 119.04 2d7h h LEU 81 Ca -0.08 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2d7h h LEU 81 Cb 0.78 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2d7h h LEU 81 CO 0.08 0.08 -0.07 -0.07 0.09 0.00 0.00 178.44 178.55 2d7h h LEU 82 N 0.34 0.36 0.65 1.67 3.38 -0.67 -0.98 115.31 120.05 2d7h h LEU 82 Ca 0.30 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2d7h h LEU 82 Cb 0.40 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2d7h h LEU 82 CO -0.34 0.48 -0.31 -0.25 0.09 0.00 0.00 178.44 178.11 2d7h h TRP 83 N 0.37 -0.81 -1.01 1.13 7.01 0.03 -2.45 115.95 120.22 2d7h h TRP 83 Ca 0.08 -0.02 0.22 0.00 2.11 0.00 0.00 58.89 61.28 2d7h h TRP 83 Cb 0.36 0.27 -0.11 0.00 -2.10 0.00 0.00 29.16 27.58 2d7h h TRP 83 CO 0.01 -0.51 0.62 0.00 -2.79 0.00 0.00 178.44 175.77 2d7h h ALA 84 N -1.45 1.85 -0.08 2.65 0.00 -0.98 0.75 119.26 122.00 2d7h h ALA 84 Ca -0.09 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2d7h h ALA 84 Cb 0.67 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2d7h h ALA 84 CO 0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 179.25 179.09 2d7h h ALA 85 N 1.67 0.02 0.12 0.00 0.00 -1.11 -0.34 119.26 119.62 2d7h h ALA 85 Ca 0.60 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.54 2d7h h ALA 85 Cb 1.14 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2d7h h ALA 85 CO -0.39 -0.52 -0.06 0.22 0.00 0.00 0.00 179.25 178.51 2d7h h ASP 86 N -0.05 -0.14 -0.70 0.00 1.82 -0.09 0.25 116.42 117.51 2d7h h ASP 86 Ca 0.05 -0.30 -0.04 0.00 -0.39 0.00 0.00 57.03 56.36 2d7h h ASP 86 Cb 0.13 0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.14 2d7h h ASP 86 CO -0.11 0.24 0.29 0.22 -1.61 0.00 0.00 179.24 178.27 2d7h h TYR 87 N -0.53 1.05 -0.62 0.28 3.20 0.37 -3.10 116.97 117.62 2d7h h TYR 87 Ca -0.02 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2d7h h TYR 87 Cb 0.42 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2d7h h TYR 87 CO 0.04 0.80 0.00 0.66 -1.64 0.00 0.00 178.16 178.03 2d7h n TYR 88 N -4.39 0.82 -2.92 -3.82 4.02 -0.14 -4.98 117.16 105.74 2d7h n TYR 88 Ca 0.05 -0.41 -0.12 0.00 -0.01 0.00 0.00 57.90 57.42 2d7h n TYR 88 Cb 0.16 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.54 2d7h n TYR 88 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2d7h n HIS 89 N 1.59 -2.03 -4.68 -0.72 8.25 -0.78 -5.03 115.22 111.83 2d7h n HIS 89 Ca 0.23 0.71 -0.23 0.00 -0.26 0.00 0.00 57.72 58.17 2d7h n HIS 89 Cb 0.61 -3.82 -0.15 0.00 1.12 0.00 0.00 29.99 27.75 2d7h n HIS 89 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2d7h s HIS 90 N -3.30 1.35 0.08 4.41 3.76 0.81 -5.04 115.29 117.36 2d7h s HIS 90 Ca 0.36 -0.30 -0.31 0.00 -0.15 0.00 0.00 55.06 54.66 2d7h s HIS 90 Cb -0.05 -0.89 -0.09 0.00 1.11 0.00 0.00 32.58 32.66 2d7h s HIS 90 CO 0.60 -0.07 1.81 -2.14 -0.85 0.00 0.00 174.74 174.10 2d7h s PRO 91 N -0.18 4.15 0.32 8.40 0.02 -1.26 -4.49 135.00 141.97 2d7h s PRO 91 Ca 0.02 2.52 0.07 0.00 0.02 0.00 0.00 61.00 63.63 2d7h s PRO 91 Cb -0.07 -3.75 0.91 0.00 0.02 0.00 0.00 34.50 31.61 2d7h s PRO 91 CO 0.00 -0.84 1.57 0.82 -0.33 0.00 0.00 177.00 178.22 2d7h h ILE 92 N 4.98 0.02 0.15 2.83 1.08 -1.96 0.21 117.51 124.81 2d7h h ILE 92 Ca -0.46 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 2d7h h ILE 92 Cb 1.22 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 2d7h h ILE 92 CO 0.94 0.00 -0.14 1.23 -0.69 0.00 0.00 178.15 179.49 2d7h h GLY 93 N 0.01 -0.30 0.17 5.37 0.00 -1.95 0.11 103.07 106.49 2d7h h GLY 93 Ca 0.66 0.16 0.06 0.00 0.00 0.00 0.00 47.33 48.22 2d7h h GLY 93 CO -0.88 -0.14 -0.23 -1.80 0.00 0.00 0.00 176.54 173.48 2d7h h ASP 94 N -0.32 -0.74 0.19 0.19 -0.00 -0.99 0.31 116.42 115.06 2d7h h ASP 94 Ca 0.00 0.14 0.01 0.00 -0.00 0.00 0.00 57.03 57.18 2d7h h ASP 94 Cb 0.30 0.35 -0.02 0.00 -0.00 0.00 0.00 39.33 39.96 2d7h h ASP 94 CO -0.04 -0.27 -0.21 0.58 -0.00 0.00 0.00 179.24 179.30 2d7h h VAL 95 N -0.24 0.53 -0.14 2.25 2.07 -1.07 -0.92 116.25 118.73 2d7h h VAL 95 Ca 0.14 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.70 2d7h h VAL 95 Cb 0.45 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2d7h h VAL 95 CO -0.38 0.00 -0.11 -0.07 0.02 0.00 0.00 177.57 177.03 2d7h h LEU 96 N -0.44 -0.36 -0.64 2.57 3.38 -0.24 0.21 115.31 119.78 2d7h h LEU 96 Ca 0.01 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2d7h h LEU 96 Cb 0.43 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2d7h h LEU 96 CO -0.07 -0.15 -0.51 -0.26 0.09 0.00 0.00 178.44 177.53 2d7h h PHE 97 N -0.13 0.55 0.00 1.13 0.05 -0.94 -2.40 116.94 115.21 2d7h h PHE 97 Ca 0.09 -0.18 -0.15 0.00 3.82 0.00 0.00 57.97 61.54 2d7h h PHE 97 Cb 0.26 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 38.08 2d7h h PHE 97 CO -0.24 0.87 -0.73 0.45 -0.18 0.00 0.00 178.31 178.47 2d7h h HIS 98 N 0.35 0.00 -0.05 -0.55 3.86 -0.96 -3.28 115.15 114.52 2d7h h HIS 98 Ca 0.01 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.02 2d7h h HIS 98 Cb 1.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.49 2d7h h HIS 98 CO 0.03 0.73 -0.81 0.00 0.86 0.00 0.00 177.93 178.74 2d7h h ALA 99 N 1.27 0.50 -0.34 2.45 0.00 -0.48 -3.35 119.26 119.31 2d7h h ALA 99 Ca -0.01 -0.65 0.07 0.00 0.00 0.00 0.00 54.91 54.32 2d7h h ALA 99 Cb 1.37 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 2d7h h ALA 99 CO 0.10 0.79 -0.39 1.25 0.00 0.00 0.00 179.25 180.99 2d7h h LEU 100 N 0.26 -1.27 -0.20 0.00 5.85 -1.48 0.20 115.31 118.66 2d7h h LEU 100 Ca -0.05 0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.92 2d7h h LEU 100 Cb 1.42 0.56 -0.06 0.00 0.37 0.00 0.00 40.66 42.95 2d7h h LEU 100 CO 0.14 -0.36 -0.18 -0.65 -0.34 0.00 0.00 178.44 177.05 2d7h h PRO 101 N -0.34 -0.18 -0.52 5.25 0.11 -1.73 0.06 132.00 134.64 2d7h h PRO 101 Ca 0.14 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2d7h h PRO 101 Cb 0.58 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.70 2d7h h PRO 101 CO -0.52 -0.12 0.33 0.82 -0.21 0.00 0.00 178.00 178.30 2d7h h ILE 102 N -0.19 1.15 -0.26 4.15 5.03 -1.64 -2.98 117.51 122.76 2d7h h ILE 102 Ca 0.12 -0.30 0.06 0.00 -0.12 0.00 0.00 64.86 64.63 2d7h h ILE 102 Cb 0.37 0.40 -0.08 0.00 -3.03 0.00 0.00 36.82 34.49 2d7h h ILE 102 CO -0.31 0.14 -0.34 -0.07 -0.68 0.00 0.00 178.15 176.89 2d7h h LEU 103 N 0.71 -1.10 0.00 1.44 3.38 0.20 -3.52 115.31 116.42 2d7h h LEU 103 Ca 0.19 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2d7h h LEU 103 Cb -0.05 0.48 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2d7h h LEU 103 CO -0.04 -0.35 0.00 0.18 0.09 0.00 0.00 178.44 178.32