#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d7h s HIS 5 N 0.00 2.85 0.02 0.00 0.09 -1.26 -5.01 115.29 111.98 2d7h s HIS 5 Ca 0.00 1.00 0.05 0.00 -0.00 0.00 0.00 55.06 56.12 2d7h s HIS 5 Cb 0.00 -3.51 -0.03 0.00 -0.00 0.00 0.00 32.58 29.04 2d7h s HIS 5 CO 0.00 -1.72 -0.14 0.08 -0.00 0.00 0.00 174.74 172.96 2d7h s VAL 6 N 3.43 3.11 -0.12 -0.90 1.01 -1.26 -5.12 120.40 120.56 2d7h s VAL 6 Ca 0.55 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 2d7h s VAL 6 Cb -0.22 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 2d7h s VAL 6 CO 0.15 0.38 0.26 0.00 0.00 0.00 0.00 175.10 175.88 2d7h s ALA 7 N -0.94 3.71 0.06 5.51 0.00 -1.26 -5.10 121.76 123.75 2d7h s ALA 7 Ca 0.15 -0.48 0.07 0.00 0.00 0.00 0.00 51.96 51.70 2d7h s ALA 7 Cb -0.11 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 2d7h s ALA 7 CO 0.06 0.34 -0.18 -0.51 0.00 0.00 0.00 175.76 175.47 2d7h s LEU 8 N -0.33 2.22 -0.86 0.00 1.43 -1.26 -5.06 118.68 114.83 2d7h s LEU 8 Ca 0.17 -0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 2d7h s LEU 8 Cb -0.13 -0.79 -0.10 0.00 0.03 0.00 0.00 46.19 45.20 2d7h s LEU 8 CO 0.05 0.06 2.18 -2.16 0.23 0.00 0.00 176.35 176.72 2d7h s PRO 9 N -1.45 2.03 0.59 1.29 0.04 -1.26 -4.94 135.00 131.30 2d7h s PRO 9 Ca 0.04 0.07 -0.06 0.00 0.04 0.00 0.00 61.00 61.10 2d7h s PRO 9 Cb -0.09 -4.93 0.01 0.00 0.04 0.00 0.00 34.50 29.53 2d7h s PRO 9 CO 0.02 -4.00 0.89 0.14 0.04 0.00 0.00 177.00 174.10 2d7h s VAL 10 N 12.69 3.67 0.43 -0.36 -7.23 -1.26 -5.07 120.40 123.27 2d7h s VAL 10 Ca 0.82 -0.01 -0.22 0.00 -1.81 0.00 0.00 61.98 60.75 2d7h s VAL 10 Cb -0.10 -3.45 -0.09 0.00 0.56 0.00 0.00 36.38 33.30 2d7h s VAL 10 CO 0.04 -0.46 1.04 -2.16 -0.31 0.00 0.00 175.10 173.25 2d7h s PRO 11 N -4.98 4.02 0.00 4.82 0.04 -1.26 -5.00 135.00 132.65 2d7h s PRO 11 Ca 0.54 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2d7h s PRO 11 Cb -0.11 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2d7h s PRO 11 CO 0.45 -0.25 0.00 -0.11 0.04 0.00 0.00 177.00 177.13 2d7h n LEU 12 N -0.44 0.00 -4.61 -3.56 7.94 -1.26 -3.06 117.00 112.01 2d7h n LEU 12 Ca 0.07 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.54 2d7h n LEU 12 Cb 0.51 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.44 2d7h n LEU 12 CO 0.43 0.00 1.05 -2.16 -1.11 0.00 0.00 177.39 175.59 2d7h s PRO 13 N 0.00 3.82 -0.56 1.96 0.04 -1.26 -4.90 135.00 134.09 2d7h s PRO 13 Ca 0.00 0.82 -0.28 0.00 0.04 0.00 0.00 61.00 61.58 2d7h s PRO 13 Cb 0.00 -3.87 0.01 0.00 0.04 0.00 0.00 34.50 30.68 2d7h s PRO 13 CO 0.00 -1.25 1.46 -0.98 0.04 0.00 0.00 177.00 176.27 2d7h s ARG 14 N 4.28 3.25 0.31 4.56 1.70 -1.17 -4.96 118.95 126.92 2d7h s ARG 14 Ca 0.50 0.49 0.09 0.00 -0.47 0.00 0.00 55.73 56.33 2d7h s ARG 14 Cb -0.10 -4.15 -0.05 0.00 -0.57 0.00 0.00 34.95 30.08 2d7h s ARG 14 CO 0.27 -2.00 0.05 -0.08 -1.08 0.00 0.00 175.30 172.46 2d7h s THR 15 N 6.30 3.07 -0.16 4.99 -1.32 -1.26 -4.92 115.64 122.35 2d7h s THR 15 Ca 0.54 -1.85 -0.04 0.00 -1.21 0.00 0.00 61.69 59.13 2d7h s THR 15 Cb -0.11 -2.88 -0.03 0.00 -1.51 0.00 0.00 72.50 67.97 2d7h s THR 15 CO 0.25 -0.26 -0.01 -0.36 -2.21 0.00 0.00 174.62 172.03 2d7h s PHE 16 N -2.41 3.09 -0.17 9.09 0.40 -1.26 -5.10 117.98 121.61 2d7h s PHE 16 Ca 0.35 -0.16 -0.13 0.00 -0.60 0.00 0.00 56.93 56.38 2d7h s PHE 16 Cb -0.03 -1.97 -0.05 0.00 0.51 0.00 0.00 43.02 41.48 2d7h s PHE 16 CO 0.21 0.06 0.27 -0.51 0.70 0.00 0.00 175.22 175.95 2d7h s ASP 17 N 0.25 6.38 0.08 1.36 1.01 -1.26 -5.07 116.67 119.42 2d7h s ASP 17 Ca -0.01 0.45 0.08 0.00 0.71 0.00 0.00 52.55 53.77 2d7h s ASP 17 Cb -0.13 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 2d7h s ASP 17 CO 0.02 0.09 -0.20 -0.31 0.21 0.00 0.00 175.17 174.98 2d7h s TYR 18 N 0.56 1.74 0.22 4.23 1.51 -1.26 -4.55 117.35 119.79 2d7h s TYR 18 Ca 0.15 -0.41 -0.20 0.00 -1.01 0.00 0.00 57.07 55.61 2d7h s TYR 18 Cb -0.13 -0.98 -0.08 0.00 -0.11 0.00 0.00 41.96 40.66 2d7h s TYR 18 CO 0.03 0.16 0.73 -1.17 -1.11 0.00 0.00 175.55 174.19 2d7h s LEU 19 N -1.66 4.35 -0.37 -1.29 2.96 0.19 -4.84 118.68 118.02 2d7h s LEU 19 Ca 0.06 1.43 -0.12 0.00 -0.22 0.00 0.00 54.13 55.28 2d7h s LEU 19 Cb -0.10 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.03 2d7h s LEU 19 CO 0.03 0.04 0.22 -0.76 -1.32 0.00 0.00 176.35 174.55 2d7h s LEU 20 N -1.96 4.67 0.94 -0.68 1.02 -1.26 -0.42 118.68 120.99 2d7h s LEU 20 Ca 0.43 -0.86 -0.15 0.00 0.02 0.00 0.00 54.13 53.57 2d7h s LEU 20 Cb -0.17 -2.05 -0.04 0.00 0.02 0.00 0.00 46.19 43.95 2d7h s LEU 20 CO 0.21 -0.35 -0.05 -2.65 0.02 0.00 0.00 176.35 173.53 2d7h n PRO 21 N 5.03 -0.13 -1.99 1.29 -0.02 -1.26 -4.78 135.00 133.14 2d7h n PRO 21 Ca -0.12 -0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 60.93 2d7h n PRO 21 Cb 0.47 -1.51 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 2d7h n PRO 21 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2d7h s GLU 22 N -2.89 4.22 0.00 -0.52 2.12 -1.26 -2.35 118.70 118.03 2d7h s GLU 22 Ca 0.51 2.26 0.00 0.00 0.36 0.00 0.00 54.97 58.10 2d7h s GLU 22 Cb -0.22 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.65 2d7h s GLU 22 CO 0.72 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 2d7h n GLY 23 N 3.88 0.68 3.77 -1.50 0.00 -1.26 -5.07 105.19 105.69 2d7h n GLY 23 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.77 3.28 -0.01 1.61 0.00 -0.99 -5.11 119.30 117.31 2d7h s MET 24 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 55.69 55.43 2d7h s MET 24 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 34.83 31.82 2d7h s MET 24 CO 0.00 0.70 -0.04 -0.08 0.00 0.00 0.00 175.02 175.61 2d7h s THR 25 N -0.85 0.32 0.03 10.11 -1.32 -1.26 -4.84 115.64 117.83 2d7h s THR 25 Ca 0.13 -0.14 -0.05 0.00 -1.21 0.00 0.00 61.69 60.43 2d7h s THR 25 Cb -0.12 -0.30 -0.01 0.00 -1.51 0.00 0.00 72.50 70.56 2d7h s THR 25 CO 0.03 0.11 0.08 0.68 -2.21 0.00 0.00 174.62 173.31 2d7h s VAL 26 N 0.13 0.13 0.18 5.08 -7.23 -1.26 -5.02 120.40 112.41 2d7h s VAL 26 Ca -0.01 -1.03 0.09 0.00 -1.81 0.00 0.00 61.98 59.21 2d7h s VAL 26 Cb -0.04 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 2d7h s VAL 26 CO -0.00 -0.57 -0.18 -0.54 -0.31 0.00 0.00 175.10 173.50 2d7h s LYS 27 N -2.29 1.31 0.50 4.82 1.02 -1.26 -4.97 119.74 118.87 2d7h s LYS 27 Ca -0.08 -1.46 -0.21 0.00 0.02 0.00 0.00 55.97 54.25 2d7h s LYS 27 Cb -0.03 -1.33 -0.10 0.00 -0.52 0.00 0.00 37.83 35.85 2d7h s LYS 27 CO -0.03 0.26 0.64 0.00 -0.92 0.00 0.00 175.35 175.30 2d7h n ALA 28 N 0.13 -0.97 -0.75 5.17 0.00 -1.26 -2.43 120.51 120.40 2d7h n ALA 28 Ca -0.12 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2d7h n ALA 28 Cb 0.58 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 1.66 0.68 3.52 0.00 0.00 -0.18 -4.66 105.19 106.20 2d7h n GLY 29 Ca 0.11 0.00 -0.33 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 -0.47 4.25 0.01 0.00 0.52 -1.26 -0.68 118.95 121.32 2d7h s ARG 31 Ca 0.07 1.44 -0.04 0.00 -0.52 0.00 0.00 55.73 56.68 2d7h s ARG 31 Cb -0.12 -2.55 -0.01 0.00 0.52 0.00 0.00 34.95 32.79 2d7h s ARG 31 CO 0.02 -0.05 0.06 0.14 0.02 0.00 0.00 175.30 175.49 2d7h s VAL 32 N -1.70 0.09 -0.20 3.52 -7.23 -0.19 -1.64 120.40 113.04 2d7h s VAL 32 Ca 0.57 -0.71 -0.14 0.00 -1.81 0.00 0.00 61.98 59.89 2d7h s VAL 32 Cb -0.20 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 2d7h s VAL 32 CO 0.25 -0.39 0.31 -0.60 -0.31 0.00 0.00 175.10 174.36 2d7h s ARG 33 N -1.26 4.16 0.13 4.82 3.52 0.70 -1.73 118.95 129.29 2d7h s ARG 33 Ca -0.14 0.04 0.03 0.00 -0.13 0.00 0.00 55.73 55.54 2d7h s ARG 33 Cb -0.08 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 2d7h s ARG 33 CO 0.00 0.05 -0.08 0.14 -0.81 0.00 0.00 175.30 174.60 2d7h s VAL 34 N 1.06 0.99 0.61 7.11 -7.23 -0.35 -0.85 120.40 121.75 2d7h s VAL 34 Ca 0.15 -2.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.16 2d7h s VAL 34 Cb -0.14 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 2d7h s VAL 34 CO 0.06 -0.78 1.05 -2.84 -0.31 0.00 0.00 175.10 172.29 2d7h s PRO 35 N -3.78 3.27 -0.25 4.82 0.02 -1.26 -1.09 135.00 136.72 2d7h s PRO 35 Ca 0.15 1.12 -0.03 0.00 0.02 0.00 0.00 61.00 62.26 2d7h s PRO 35 Cb 0.04 -2.03 0.14 0.00 0.02 0.00 0.00 34.50 32.67 2d7h s PRO 35 CO -0.01 -0.84 0.45 0.12 -0.33 0.00 0.00 177.00 176.38 2d7h s PHE 36 N -2.63 -1.03 0.16 6.54 5.36 -0.70 -4.77 117.98 120.91 2d7h s PHE 36 Ca 0.62 1.20 0.00 0.00 -0.96 0.00 0.00 56.93 57.78 2d7h s PHE 36 Cb -0.15 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.75 2d7h s PHE 36 CO 0.41 -0.72 0.00 0.41 -1.46 0.00 0.00 175.22 173.86 2d7h n GLY 37 N 5.39 -3.93 0.00 13.12 0.00 -1.26 -3.44 105.19 115.07 2d7h n GLY 37 Ca -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2d7h n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2d7h n LYS 38 N -0.27 0.00 0.00 1.61 0.00 -1.26 -1.94 118.16 116.29 2d7h n LYS 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2d7h n LYS 38 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2d7h n LYS 38 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2d7h n GLN 39 N 0.00 0.01 -2.11 -1.58 7.27 -1.26 -5.13 117.38 114.58 2d7h n GLN 39 Ca 0.00 -0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.78 2d7h n GLN 39 Cb 0.00 -0.31 0.18 0.00 2.41 0.00 0.00 30.24 32.52 2d7h n GLN 39 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2d7h s GLN 40 N -0.00 0.69 0.11 3.69 -0.21 -0.82 -4.92 119.66 118.20 2d7h s GLN 40 Ca 0.00 -0.69 0.03 0.00 0.02 0.00 0.00 55.36 54.72 2d7h s GLN 40 Cb 0.00 -1.95 -0.04 0.00 1.00 0.00 0.00 33.01 32.02 2d7h s GLN 40 CO 0.00 -2.31 -0.09 -1.21 -2.12 0.00 0.00 175.29 169.56 2d7h s GLU 41 N -5.75 0.88 0.13 2.91 2.02 -1.26 -1.71 118.70 115.91 2d7h s GLU 41 Ca 0.74 -1.25 -0.22 0.00 0.02 0.00 0.00 54.97 54.26 2d7h s GLU 41 Cb -0.03 -0.48 0.06 0.00 0.10 0.00 0.00 34.13 33.79 2d7h s GLU 41 CO 0.52 0.06 0.56 0.50 0.02 0.00 0.00 175.26 176.92 2d7h s ARG 42 N -3.19 1.20 -0.08 1.61 3.52 -0.25 -4.79 118.95 116.97 2d7h s ARG 42 Ca 0.09 -0.43 -0.10 0.00 -0.13 0.00 0.00 55.73 55.15 2d7h s ARG 42 Cb -0.00 0.55 -0.05 0.00 -1.56 0.00 0.00 34.95 33.89 2d7h s ARG 42 CO -0.01 -0.50 0.25 0.42 -0.81 0.00 0.00 175.30 174.65 2d7h s ILE 43 N -3.44 5.32 0.28 4.11 -1.09 -1.26 -1.21 121.20 123.91 2d7h s ILE 43 Ca -0.00 0.46 -0.03 0.00 -2.23 0.00 0.00 60.65 58.85 2d7h s ILE 43 Cb -0.00 -3.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.33 2d7h s ILE 43 CO -0.10 0.58 0.34 -0.83 -1.23 0.00 0.00 174.94 173.71 2d7h s GLY 44 N -0.90 1.42 -0.06 6.18 0.00 -0.71 -4.99 107.32 108.27 2d7h s GLY 44 Ca 0.18 -1.53 0.05 0.00 0.00 0.00 0.00 44.72 43.42 2d7h s GLY 44 CO 0.07 -1.11 -0.21 -0.42 0.00 0.00 0.00 173.10 171.42 2d7h s ILE 45 N -3.64 1.78 -0.09 0.90 1.01 -1.26 -1.02 121.20 118.88 2d7h s ILE 45 Ca 0.33 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 2d7h s ILE 45 Cb 0.02 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 2d7h s ILE 45 CO 0.17 0.50 1.48 -0.69 0.00 0.00 0.00 174.94 176.40 2d7h s VAL 46 N -0.02 3.85 -0.08 2.92 1.01 0.15 -4.85 120.40 123.37 2d7h s VAL 46 Ca -0.05 1.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.99 2d7h s VAL 46 Cb -0.13 -3.68 -0.25 0.00 0.00 0.00 0.00 36.38 32.31 2d7h s VAL 46 CO 0.03 -0.08 0.53 0.58 0.00 0.00 0.00 175.10 176.16 2d7h h VAL 47 N 5.45 0.76 -2.11 2.92 2.07 -1.92 -0.46 116.25 122.96 2d7h h VAL 47 Ca -0.34 -2.51 0.21 0.00 0.82 0.00 0.00 66.70 64.87 2d7h h VAL 47 Cb 1.15 2.51 -0.10 0.00 -1.52 0.00 0.00 31.29 33.34 2d7h h VAL 47 CO 0.95 0.76 0.57 -0.94 0.02 0.00 0.00 177.57 178.93 2d7h s SER 48 N -6.73 -0.16 -0.04 0.57 1.04 -1.26 -4.72 113.70 102.39 2d7h s SER 48 Ca -0.15 -0.30 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 2d7h s SER 48 Cb 0.07 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2d7h s SER 48 CO 0.80 -0.72 0.03 -0.69 0.98 0.00 0.00 173.24 173.64 2d7h s VAL 49 N -3.05 0.06 0.00 5.02 1.01 -1.26 -4.97 120.40 117.21 2d7h s VAL 49 Ca 0.12 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2d7h s VAL 49 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.13 2d7h s VAL 49 CO -0.00 0.18 0.00 -1.54 0.00 0.00 0.00 175.10 173.74 2d7h n SER 50 N 4.94 1.88 -0.61 3.32 3.41 -1.26 -5.05 113.62 120.26 2d7h n SER 50 Ca -0.11 -0.10 0.06 0.00 -0.26 0.00 0.00 58.87 58.46 2d7h n SER 50 Cb 0.50 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.65 2d7h n SER 50 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2d7h n ASP 51 N -0.11 2.63 -3.53 4.04 8.00 -1.26 -5.04 116.55 121.28 2d7h n ASP 51 Ca 0.00 -3.38 -0.09 0.00 0.71 0.00 0.00 54.79 52.03 2d7h n ASP 51 Cb 0.00 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.55 2d7h n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d7h s ALA 52 N -3.02 -1.86 0.06 2.24 0.00 -1.26 -5.13 121.76 112.80 2d7h s ALA 52 Ca 0.38 1.19 -0.06 0.00 0.00 0.00 0.00 51.96 53.48 2d7h s ALA 52 Cb 0.34 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 2d7h s ALA 52 CO 0.02 -0.57 0.12 0.45 0.00 0.00 0.00 175.76 175.77 2d7h s SER 53 N -2.05 0.20 0.29 0.00 0.15 -1.26 -5.04 113.70 106.00 2d7h s SER 53 Ca 0.03 -0.66 0.04 0.00 0.70 0.00 0.00 55.95 56.05 2d7h s SER 53 Cb -0.01 0.27 0.66 0.00 -1.71 0.00 0.00 66.02 65.23 2d7h s SER 53 CO -0.05 -0.62 1.79 -0.08 1.20 0.00 0.00 173.24 175.48 2d7h h GLU 54 N 3.18 0.79 -6.01 5.44 4.81 -2.02 -3.40 114.58 117.37 2d7h h GLU 54 Ca -0.33 -0.05 -0.58 0.00 -0.13 0.00 0.00 59.36 58.27 2d7h h GLU 54 Cb 1.18 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 2d7h h GLU 54 CO 0.56 0.52 -0.49 -0.51 -0.73 0.00 0.00 179.01 178.36 2d7h s LEU 55 N -10.29 4.28 0.56 1.64 1.02 -1.26 -5.08 118.68 109.56 2d7h s LEU 55 Ca -0.12 0.18 -0.21 0.00 0.02 0.00 0.00 54.13 54.00 2d7h s LEU 55 Cb 0.24 -2.88 -0.04 0.00 0.02 0.00 0.00 46.19 43.53 2d7h s LEU 55 CO 0.80 0.11 1.34 -2.84 0.02 0.00 0.00 176.35 175.78 2d7h s PRO 56 N -2.89 3.06 0.24 1.29 0.02 -1.26 -4.87 135.00 130.59 2d7h s PRO 56 Ca 0.34 2.20 -0.05 0.00 0.02 0.00 0.00 61.00 63.51 2d7h s PRO 56 Cb -0.12 -2.19 0.46 0.00 0.02 0.00 0.00 34.50 32.67 2d7h s PRO 56 CO 0.28 -1.24 1.69 -0.07 -0.33 0.00 0.00 177.00 177.32 2d7h h LEU 57 N 1.33 0.02 0.00 -5.54 4.07 -1.96 0.23 115.31 113.46 2d7h h LEU 57 Ca -0.51 0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.60 2d7h h LEU 57 Cb 1.30 0.19 0.00 0.00 1.08 0.00 0.00 40.66 43.24 2d7h h LEU 57 CO 0.57 -0.03 0.00 -0.46 -1.08 0.00 0.00 178.44 177.43 2d7h n ASN 58 N -5.15 0.00 -0.00 -0.43 6.94 -1.26 -1.42 115.26 113.94 2d7h n ASN 58 Ca 0.14 0.18 0.08 0.00 -0.02 0.00 0.00 54.58 54.96 2d7h n ASN 58 Cb 0.46 -0.22 -0.11 0.00 -2.36 0.00 0.00 39.78 37.55 2d7h n ASN 58 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2d7h n GLU 59 N -1.22 1.05 -2.79 -3.83 1.02 0.80 -4.94 120.64 110.73 2d7h n GLU 59 Ca 0.01 -0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 2d7h n GLU 59 Cb 0.02 -1.34 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 2d7h n GLU 59 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2d7h s LEU 60 N -3.40 4.25 0.48 -4.62 1.43 -0.51 -5.01 118.68 111.30 2d7h s LEU 60 Ca 0.01 1.41 -0.23 0.00 -1.03 0.00 0.00 54.13 54.29 2d7h s LEU 60 Cb 0.12 -3.42 -0.07 0.00 0.03 0.00 0.00 46.19 42.86 2d7h s LEU 60 CO 0.70 -0.37 1.23 -0.54 0.23 0.00 0.00 176.35 177.60 2d7h s LYS 61 N 1.78 3.61 0.36 1.70 1.02 -1.26 -3.86 119.74 123.09 2d7h s LYS 61 Ca 0.45 1.93 -0.19 0.00 0.02 0.00 0.00 55.97 58.18 2d7h s LYS 61 Cb -0.18 -2.40 -0.10 0.00 -0.52 0.00 0.00 37.83 34.63 2d7h s LYS 61 CO 0.18 -0.72 0.84 0.00 -0.92 0.00 0.00 175.35 174.73 2d7h s ALA 62 N -1.45 3.20 0.42 5.17 0.00 -1.25 0.55 121.76 128.39 2d7h s ALA 62 Ca 0.65 0.25 -0.26 0.00 0.00 0.00 0.00 51.96 52.60 2d7h s ALA 62 Cb -0.33 -2.97 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 2d7h s ALA 62 CO 0.39 0.23 1.34 0.08 0.00 0.00 0.00 175.76 177.81 2d7h s VAL 63 N -2.00 2.45 -0.12 0.00 1.01 0.45 -4.57 120.40 117.62 2d7h s VAL 63 Ca 0.56 0.40 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 2d7h s VAL 63 Cb -0.11 -3.24 -0.26 0.00 0.00 0.00 0.00 36.38 32.77 2d7h s VAL 63 CO 0.16 0.06 0.42 0.58 0.00 0.00 0.00 175.10 176.32 2d7h h VAL 64 N 2.45 0.76 -2.02 2.92 2.07 -1.35 -3.43 116.25 117.66 2d7h h VAL 64 Ca -0.50 -2.35 -0.05 0.00 0.82 0.00 0.00 66.70 64.62 2d7h h VAL 64 Cb 1.25 2.54 -0.19 0.00 -1.52 0.00 0.00 31.29 33.37 2d7h h VAL 64 CO 0.62 0.80 0.22 -0.70 0.02 0.00 0.00 177.57 178.53 2d7h s GLU 65 N -2.53 1.04 -0.21 1.57 2.12 -1.19 -4.98 118.70 114.52 2d7h s GLU 65 Ca -0.22 0.22 -0.06 0.00 0.36 0.00 0.00 54.97 55.27 2d7h s GLU 65 Cb 0.06 0.49 -0.03 0.00 0.26 0.00 0.00 34.13 34.91 2d7h s GLU 65 CO 0.76 -0.33 0.03 0.54 -0.54 0.00 0.00 175.26 175.72 2d7h s VAL 66 N -1.31 4.15 -0.59 3.70 0.11 -1.26 -0.21 120.40 124.98 2d7h s VAL 66 Ca -0.10 -0.24 0.24 0.00 -2.93 0.00 0.00 61.98 58.96 2d7h s VAL 66 Cb -0.00 -2.89 0.18 0.00 -1.53 0.00 0.00 36.38 32.13 2d7h s VAL 66 CO 0.08 0.41 1.50 -0.07 -3.33 0.00 0.00 175.10 173.69 2d7h h LEU 67 N 7.59 0.00 -8.35 2.54 3.38 -1.67 -3.46 115.31 115.35 2d7h h LEU 67 Ca -0.37 -0.08 -0.62 0.00 0.09 0.00 0.00 57.88 56.91 2d7h h LEU 67 Cb 1.18 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.61 2d7h h LEU 67 CO 0.61 0.04 -0.86 -1.81 0.09 0.00 0.00 178.44 176.51 2d7h s ASP 68 N -4.79 2.56 -0.07 -0.43 1.01 -1.24 -4.93 116.67 108.79 2d7h s ASP 68 Ca 0.07 -0.42 -0.17 0.00 0.71 0.00 0.00 52.55 52.74 2d7h s ASP 68 Cb 0.11 -0.67 -0.30 0.00 1.01 0.00 0.00 42.92 43.07 2d7h s ASP 68 CO 0.68 0.20 0.71 0.77 0.21 0.00 0.00 175.17 177.74 2d7h h SER 69 N 6.12 0.49 -2.77 0.27 4.64 -1.95 -3.45 113.55 116.90 2d7h h SER 69 Ca -0.33 -0.90 -0.52 0.00 -0.47 0.00 0.00 61.79 59.57 2d7h h SER 69 Cb 1.17 -0.16 -0.14 0.00 -0.31 0.00 0.00 62.40 62.96 2d7h h SER 69 CO 0.47 1.60 -0.74 -0.70 -0.87 0.00 0.00 176.83 176.59 2d7h s GLU 70 N -2.49 1.49 -0.21 4.77 2.56 -1.26 -4.92 118.70 118.64 2d7h s GLU 70 Ca -0.16 -1.67 -0.40 0.00 0.00 0.00 0.00 54.97 52.74 2d7h s GLU 70 Cb 0.04 -1.40 -0.16 0.00 2.00 0.00 0.00 34.13 34.60 2d7h s GLU 70 CO 0.82 0.24 1.65 -2.30 -0.56 0.00 0.00 175.26 175.11 2d7h n PRO 71 N -0.49 1.09 0.20 4.30 -0.02 -1.26 -4.86 135.00 133.96 2d7h n PRO 71 Ca -0.07 0.40 0.14 0.00 -2.02 0.00 0.00 63.50 61.96 2d7h n PRO 71 Cb 0.60 -2.06 0.63 0.00 -0.02 0.00 0.00 33.50 32.65 2d7h n PRO 71 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2d7h h VAL 72 N 4.80 0.00 -2.50 -1.45 3.04 -1.58 -3.43 116.25 115.13 2d7h h VAL 72 Ca -0.47 -0.26 -0.58 0.00 -1.01 0.00 0.00 66.70 64.39 2d7h h VAL 72 Cb 1.33 1.05 -0.11 0.00 -2.01 0.00 0.00 31.29 31.55 2d7h h VAL 72 CO 0.92 0.00 -0.66 -0.36 -1.01 0.00 0.00 177.57 176.46 2d7h s PHE 73 N -3.53 2.71 0.66 3.17 2.99 -1.26 -5.05 117.98 117.67 2d7h s PHE 73 Ca 0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 56.93 56.61 2d7h s PHE 73 Cb 0.09 -1.25 -0.01 0.00 0.00 0.00 0.00 43.02 41.85 2d7h s PHE 73 CO 0.41 0.58 1.06 0.99 -0.00 0.00 0.00 175.22 178.25 2d7h s THR 74 N -2.08 3.95 0.37 0.64 2.01 -1.26 -4.85 115.64 114.42 2d7h s THR 74 Ca 0.29 0.74 0.07 0.00 0.31 0.00 0.00 61.69 63.10 2d7h s THR 74 Cb -0.07 -3.39 0.18 0.00 0.01 0.00 0.00 72.50 69.22 2d7h s THR 74 CO 0.19 -0.72 1.92 -0.74 -0.69 0.00 0.00 174.62 174.57 2d7h h HIS 75 N -0.27 0.42 0.35 4.92 2.76 -1.99 0.00 115.15 121.35 2d7h h HIS 75 Ca -0.45 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.67 2d7h h HIS 75 Cb 1.21 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.05 2d7h h HIS 75 CO 0.61 0.43 -0.17 0.77 -1.30 0.00 0.00 177.93 178.27 2d7h h SER 76 N 0.40 -0.40 -0.71 3.26 0.02 -1.99 -2.56 113.55 111.57 2d7h h SER 76 Ca 0.09 -0.05 0.15 0.00 -0.84 0.00 0.00 61.79 61.14 2d7h h SER 76 Cb 0.28 0.10 -0.11 0.00 0.14 0.00 0.00 62.40 62.81 2d7h h SER 76 CO 0.01 0.05 0.12 0.58 -1.14 0.00 0.00 176.83 176.45 2d7h h VAL 77 N -1.08 0.49 0.30 2.27 2.07 -1.93 0.70 116.25 119.06 2d7h h VAL 77 Ca -0.05 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2d7h h VAL 77 Cb 0.43 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2d7h h VAL 77 CO 0.08 0.04 -0.24 -0.25 0.02 0.00 0.00 177.57 177.22 2d7h h TRP 78 N 0.22 -0.62 -0.84 1.57 2.91 -1.07 0.57 115.95 118.69 2d7h h TRP 78 Ca 0.40 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.50 2d7h h TRP 78 Cb 0.67 0.23 -0.07 0.00 -0.51 0.00 0.00 29.16 29.49 2d7h h TRP 78 CO -0.30 -0.35 0.49 -0.09 -1.03 0.00 0.00 178.44 177.16 2d7h h ARG 79 N -0.54 0.81 -0.12 2.65 2.43 -0.76 -1.25 114.38 117.61 2d7h h ARG 79 Ca -0.02 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2d7h h ARG 79 Cb 0.48 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2d7h h ARG 79 CO -0.01 0.54 0.01 -0.07 -1.51 0.00 0.00 179.97 178.92 2d7h h LEU 80 N 0.84 0.20 -0.23 3.80 3.38 -0.39 -1.27 115.31 121.64 2d7h h LEU 80 Ca 0.40 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2d7h h LEU 80 Cb 0.33 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 2d7h h LEU 80 CO -0.23 0.44 -0.38 -0.07 0.09 0.00 0.00 178.44 178.29 2d7h h LEU 81 N -0.05 -1.21 -1.33 1.67 3.38 0.81 0.17 115.31 118.76 2d7h h LEU 81 Ca 0.03 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2d7h h LEU 81 Cb 0.33 0.52 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2d7h h LEU 81 CO 0.00 -0.38 0.30 -0.07 0.09 0.00 0.00 178.44 178.39 2d7h h LEU 82 N -0.39 0.68 0.89 1.67 3.38 -1.25 -0.80 115.31 119.49 2d7h h LEU 82 Ca 0.11 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2d7h h LEU 82 Cb 0.58 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.17 2d7h h LEU 82 CO -0.45 0.55 -0.43 -0.25 0.09 0.00 0.00 178.44 177.95 2d7h h TRP 83 N 0.77 -1.11 -0.67 1.13 7.01 0.06 -2.22 115.95 120.92 2d7h h TRP 83 Ca 0.20 -0.03 0.13 0.00 2.11 0.00 0.00 58.89 61.30 2d7h h TRP 83 Cb 0.02 0.37 -0.09 0.00 -2.10 0.00 0.00 29.16 27.36 2d7h h TRP 83 CO 0.00 -0.69 0.21 0.00 -2.79 0.00 0.00 178.44 175.17 2d7h h ALA 84 N -1.12 0.87 -0.83 2.65 0.00 -0.42 0.77 119.26 121.18 2d7h h ALA 84 Ca -0.12 0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2d7h h ALA 84 Cb 0.92 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2d7h h ALA 84 CO 0.20 -0.26 0.53 0.00 0.00 0.00 0.00 179.25 179.72 2d7h h ALA 85 N 1.51 1.09 0.10 0.00 0.00 -1.09 0.98 119.26 121.86 2d7h h ALA 85 Ca 0.36 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2d7h h ALA 85 Cb 0.54 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2d7h h ALA 85 CO -0.40 0.34 -0.05 0.22 0.00 0.00 0.00 179.25 179.36 2d7h h ASP 86 N 1.02 -0.11 -0.27 0.00 -0.00 -0.54 0.45 116.42 116.96 2d7h h ASP 86 Ca 0.33 -0.45 0.05 0.00 -0.00 0.00 0.00 57.03 56.97 2d7h h ASP 86 Cb 0.03 0.03 -0.05 0.00 -0.00 0.00 0.00 39.33 39.34 2d7h h ASP 86 CO -0.12 0.52 -0.07 0.22 -0.00 0.00 0.00 179.24 179.79 2d7h h TYR 87 N -0.89 -0.14 -0.22 0.28 3.20 0.62 -2.51 116.97 117.32 2d7h h TYR 87 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2d7h h TYR 87 Cb 0.56 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.93 2d7h h TYR 87 CO 0.12 -0.11 0.00 0.66 -1.64 0.00 0.00 178.16 177.18 2d7h n TYR 88 N -5.23 0.29 -3.44 -3.82 4.02 0.33 -4.93 117.16 104.37 2d7h n TYR 88 Ca -0.01 -0.14 -0.17 0.00 -0.01 0.00 0.00 57.90 57.56 2d7h n TYR 88 Cb 0.16 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.56 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 0.28 -2.19 -4.88 -0.72 8.25 -0.88 -5.02 115.22 110.05 2d7h n HIS 89 Ca 0.13 0.91 -0.32 0.00 -0.26 0.00 0.00 57.72 58.18 2d7h n HIS 89 Cb 0.28 -4.85 -0.13 0.00 1.12 0.00 0.00 29.99 26.41 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 -3.40 2.61 0.09 4.41 3.76 0.15 -5.03 115.29 117.88 2d7h s HIS 90 Ca 0.07 -0.22 -0.32 0.00 -0.15 0.00 0.00 55.06 54.44 2d7h s HIS 90 Cb -0.01 -1.56 -0.11 0.00 1.11 0.00 0.00 32.58 32.00 2d7h s HIS 90 CO 0.74 0.17 1.80 -2.30 -0.85 0.00 0.00 174.74 174.31 2d7h n PRO 91 N 2.10 2.57 -0.11 8.40 -0.02 -1.26 -4.47 135.00 142.21 2d7h n PRO 91 Ca -0.17 0.93 0.09 0.00 -2.02 0.00 0.00 63.50 62.34 2d7h n PRO 91 Cb 0.52 -2.80 0.44 0.00 -0.02 0.00 0.00 33.50 31.64 2d7h n PRO 91 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2d7h h ILE 92 N 4.63 0.96 0.02 4.25 -0.00 -1.91 0.13 117.51 125.58 2d7h h ILE 92 Ca -0.47 -0.19 -0.00 0.00 -0.00 0.00 0.00 64.86 64.21 2d7h h ILE 92 Cb 1.24 0.37 0.00 0.00 -0.00 0.00 0.00 36.82 38.42 2d7h h ILE 92 CO 0.94 0.10 -0.01 1.23 -0.00 0.00 0.00 178.15 180.41 2d7h h GLY 93 N 0.54 -0.03 -0.15 8.18 0.00 -1.91 0.30 103.07 110.01 2d7h h GLY 93 Ca 0.28 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.68 2d7h h GLY 93 CO -0.08 -0.01 -0.39 -1.80 0.00 0.00 0.00 176.54 174.26 2d7h h ASP 94 N -0.22 -1.27 0.27 0.19 -0.00 -1.33 -0.05 116.42 114.00 2d7h h ASP 94 Ca -0.00 0.19 -0.01 0.00 -0.00 0.00 0.00 57.03 57.21 2d7h h ASP 94 Cb 0.21 0.55 -0.00 0.00 -0.00 0.00 0.00 39.33 40.10 2d7h h ASP 94 CO 0.00 -0.37 -0.15 0.58 -0.00 0.00 0.00 179.24 179.31 2d7h h VAL 95 N -0.35 0.69 0.26 2.25 2.07 -0.74 -2.26 116.25 118.17 2d7h h VAL 95 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 2d7h h VAL 95 Cb 0.58 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2d7h h VAL 95 CO -0.51 0.00 -0.43 -0.07 0.02 0.00 0.00 177.57 176.59 2d7h h LEU 96 N -0.40 -1.22 -1.15 2.57 3.38 -0.36 -0.29 115.31 117.84 2d7h h LEU 96 Ca -0.03 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2d7h h LEU 96 Cb 0.32 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2d7h h LEU 96 CO 0.04 -0.53 -0.42 -0.26 0.09 0.00 0.00 178.44 177.36 2d7h h PHE 97 N -0.76 0.02 -0.27 1.13 -1.00 -1.09 -1.89 116.94 113.08 2d7h h PHE 97 Ca -0.01 -0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.60 2d7h h PHE 97 Cb 0.73 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.28 2d7h h PHE 97 CO -0.31 0.43 -0.47 0.45 -1.61 0.00 0.00 178.31 176.81 2d7h h HIS 98 N 0.01 0.99 0.00 -0.55 3.86 -1.24 -3.19 115.15 115.03 2d7h h HIS 98 Ca -0.00 -0.35 -0.06 0.00 -1.16 0.00 0.00 60.37 58.80 2d7h h HIS 98 Cb 0.74 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2d7h h HIS 98 CO 0.00 1.15 -0.28 0.00 0.86 0.00 0.00 177.93 179.66 2d7h h ALA 99 N 0.67 1.01 0.17 2.45 0.00 -0.88 -3.30 119.26 119.36 2d7h h ALA 99 Ca 0.02 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2d7h h ALA 99 Cb 1.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2d7h h ALA 99 CO 0.11 0.36 -0.32 1.25 0.00 0.00 0.00 179.25 180.64 2d7h h LEU 100 N 0.00 -0.91 -0.90 0.00 5.85 -1.33 0.61 115.31 118.63 2d7h h LEU 100 Ca -0.00 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.87 2d7h h LEU 100 Cb 0.82 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 2d7h h LEU 100 CO 0.04 -0.42 0.57 -0.65 -0.34 0.00 0.00 178.44 177.64 2d7h h PRO 101 N -0.57 1.02 0.62 5.25 0.11 -1.70 -1.40 132.00 135.32 2d7h h PRO 101 Ca 0.02 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 2d7h h PRO 101 Cb 0.58 -0.23 0.01 0.00 0.11 0.00 0.00 31.00 31.47 2d7h h PRO 101 CO -0.16 0.67 -0.30 0.82 -0.21 0.00 0.00 178.00 178.83 2d7h h ILE 102 N 1.05 0.35 -0.56 4.15 5.03 -1.59 -0.73 117.51 125.20 2d7h h ILE 102 Ca 0.38 -0.13 0.07 0.00 -0.12 0.00 0.00 64.86 65.06 2d7h h ILE 102 Cb 0.13 0.40 -0.06 0.00 -3.03 0.00 0.00 36.82 34.27 2d7h h ILE 102 CO -0.16 0.02 0.25 -0.07 -0.68 0.00 0.00 178.15 177.50 2d7h h LEU 103 N -0.93 0.31 0.00 1.44 3.38 -0.62 -3.11 115.31 115.77 2d7h h LEU 103 Ca -0.09 0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 2d7h h LEU 103 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2d7h h LEU 103 CO 0.14 0.20 -1.09 -0.07 0.09 0.00 0.00 178.44 177.72 2d7h h LEU 104 N 0.47 0.00 -1.05 1.67 3.38 -1.29 -3.51 115.31 114.98 2d7h h LEU 104 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2d7h h LEU 104 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2d7h h LEU 104 CO -0.23 0.87 0.00 -1.14 0.09 0.00 0.00 178.44 178.04