#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8j h ASN 2 N 0.00 0.00 -3.20 4.04 -0.26 -2.05 -3.36 115.58 110.75 3a8j h ASN 2 Ca 0.00 0.00 -0.60 0.00 -0.56 0.00 0.00 56.30 55.14 3a8j h ASN 2 Cb 0.00 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 36.86 3a8j h ASN 2 CO 0.00 0.00 -0.77 -0.69 -1.06 0.00 0.00 177.43 174.91 3a8j s VAL 3 N -3.36 0.96 0.41 2.81 1.01 -1.26 -4.36 120.40 116.61 3a8j s VAL 3 Ca 0.05 -2.11 -0.25 0.00 0.00 0.00 0.00 61.98 59.67 3a8j s VAL 3 Cb 0.09 -1.69 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 3a8j s VAL 3 CO 0.53 -0.88 1.17 -2.65 0.00 0.00 0.00 175.10 173.27 3a8j n PRO 4 N 3.92 1.70 -0.12 2.72 -0.02 -1.26 -4.91 135.00 137.03 3a8j n PRO 4 Ca 0.07 0.60 -0.09 0.00 -2.02 0.00 0.00 63.50 62.06 3a8j n PRO 4 Cb 0.36 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 3a8j n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a8j h ALA 5 N 1.89 0.47 -0.05 3.55 0.00 -1.98 -3.30 119.26 119.84 3a8j h ALA 5 Ca -0.46 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3a8j h ALA 5 Cb 1.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3a8j h ALA 5 CO 0.59 0.08 0.00 -0.85 0.00 0.00 0.00 179.25 179.07 3a8j n GLU 6 N -4.67 1.41 -3.09 0.00 0.00 -1.26 -4.19 120.64 108.84 3a8j n GLU 6 Ca -0.01 -0.61 -0.24 0.00 0.00 0.00 0.00 57.16 56.29 3a8j n GLU 6 Cb 0.15 -1.43 -0.00 0.00 0.00 0.00 0.00 31.44 30.16 3a8j n GLU 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3a8j s LEU 7 N -1.82 3.81 0.24 -1.84 1.43 -1.24 -4.92 118.68 114.33 3a8j s LEU 7 Ca 0.37 0.52 0.05 0.00 -1.03 0.00 0.00 54.13 54.04 3a8j s LEU 7 Cb 0.19 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 3a8j s LEU 7 CO 0.30 -0.49 0.32 -0.54 0.23 0.00 0.00 176.35 176.18 3a8j s LYS 8 N -4.49 3.32 0.03 1.70 -0.14 -0.74 -3.67 119.74 115.75 3a8j s LYS 8 Ca 0.44 -0.81 -0.01 0.00 -1.36 0.00 0.00 55.97 54.23 3a8j s LYS 8 Cb -0.10 -2.82 -0.02 0.00 -1.68 0.00 0.00 37.83 33.20 3a8j s LYS 8 CO 0.39 0.43 -0.01 0.71 -0.76 0.00 0.00 175.35 176.11 3a8j s TYR 9 N -1.99 0.32 0.41 3.18 2.02 -0.21 -0.64 117.35 120.43 3a8j s TYR 9 Ca 0.34 -0.66 0.07 0.00 -0.37 0.00 0.00 57.07 56.45 3a8j s TYR 9 Cb -0.09 -0.23 -0.05 0.00 -0.40 0.00 0.00 41.96 41.19 3a8j s TYR 9 CO 0.28 -0.27 0.18 -1.54 -1.57 0.00 0.00 175.55 172.64 3a8j s SER 10 N -1.93 4.44 0.25 2.29 1.04 -0.44 -1.18 113.70 118.18 3a8j s SER 10 Ca -0.08 -1.06 -0.02 0.00 0.48 0.00 0.00 55.95 55.26 3a8j s SER 10 Cb -0.04 -0.49 0.49 0.00 0.10 0.00 0.00 66.02 66.08 3a8j s SER 10 CO -0.04 -0.54 1.76 0.11 0.98 0.00 0.00 173.24 175.52 3a8j h LYS 11 N 1.42 0.60 -0.86 4.02 1.57 -1.97 -2.79 116.57 118.56 3a8j h LYS 11 Ca -0.43 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.22 3a8j h LYS 11 Cb 1.25 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.37 3a8j h LYS 11 CO 0.70 0.40 0.13 0.39 -0.57 0.00 0.00 179.45 180.49 3a8j n GLU 12 N -4.87 2.54 -3.21 3.15 4.71 -1.26 -4.87 120.64 116.83 3a8j n GLU 12 Ca 0.16 -1.62 -0.15 0.00 -0.01 0.00 0.00 57.16 55.53 3a8j n GLU 12 Cb 0.40 -1.80 0.07 0.00 -1.01 0.00 0.00 31.44 29.10 3a8j n GLU 12 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3a8j n HIS 13 N 0.08 -1.90 -4.27 -0.32 8.25 -1.05 -4.97 115.22 111.03 3a8j n HIS 13 Ca 0.21 0.77 -0.23 0.00 -0.26 0.00 0.00 57.72 58.21 3a8j n HIS 13 Cb 0.88 -4.44 -0.07 0.00 1.12 0.00 0.00 29.99 27.48 3a8j n HIS 13 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3a8j s GLU 14 N -5.33 2.23 0.16 -0.41 2.02 -1.26 -1.25 118.70 114.85 3a8j s GLU 14 Ca 0.11 -1.55 0.08 0.00 0.02 0.00 0.00 54.97 53.64 3a8j s GLU 14 Cb -0.05 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 3a8j s GLU 14 CO 0.59 0.25 -0.18 1.67 0.02 0.00 0.00 175.26 177.61 3a8j s TRP 15 N -2.40 1.75 -0.07 1.61 1.48 -0.74 -1.33 118.94 119.24 3a8j s TRP 15 Ca 0.34 -0.48 0.01 0.00 -1.06 0.00 0.00 56.10 54.90 3a8j s TRP 15 Cb -0.04 -0.88 0.02 0.00 -1.16 0.00 0.00 33.47 31.41 3a8j s TRP 15 CO 0.20 0.30 -0.08 -0.51 -4.06 0.00 0.00 176.95 172.81 3a8j s LEU 16 N -2.64 1.36 -0.28 -4.66 1.02 0.19 -2.50 118.68 111.18 3a8j s LEU 16 Ca 0.15 -0.22 -0.06 0.00 0.02 0.00 0.00 54.13 54.02 3a8j s LEU 16 Cb -0.05 -0.66 0.01 0.00 0.02 0.00 0.00 46.19 45.50 3a8j s LEU 16 CO 0.06 -0.04 0.05 -0.60 0.02 0.00 0.00 176.35 175.84 3a8j s ARG 17 N 1.05 3.12 0.18 1.70 3.52 0.36 -1.80 118.95 127.09 3a8j s ARG 17 Ca -0.08 -0.83 -0.31 0.00 -0.13 0.00 0.00 55.73 54.38 3a8j s ARG 17 Cb -0.14 -3.29 -0.10 0.00 -1.56 0.00 0.00 34.95 29.86 3a8j s ARG 17 CO -0.00 -0.40 1.48 0.21 -0.81 0.00 0.00 175.30 175.77 3a8j s LYS 18 N 1.48 4.26 0.37 5.12 2.20 -1.26 -0.87 119.74 131.04 3a8j s LYS 18 Ca 0.03 2.27 0.07 0.00 -0.36 0.00 0.00 55.97 57.98 3a8j s LYS 18 Cb -0.17 -3.16 -0.01 0.00 -1.51 0.00 0.00 37.83 32.98 3a8j s LYS 18 CO 0.01 -0.49 0.44 -1.21 -0.36 0.00 0.00 175.35 173.74 3a8j s GLU 19 N 0.59 2.89 0.26 4.03 0.41 0.56 -4.93 118.70 122.50 3a8j s GLU 19 Ca 0.65 -1.20 -0.03 0.00 -0.41 0.00 0.00 54.97 53.98 3a8j s GLU 19 Cb -0.41 -2.67 0.53 0.00 -1.78 0.00 0.00 34.13 29.80 3a8j s GLU 19 CO 0.35 -0.04 1.68 0.00 -0.49 0.00 0.00 175.26 176.76 3a8j h ALA 20 N 0.93 1.07 0.00 5.21 0.00 -1.95 -0.85 119.26 123.67 3a8j h ALA 20 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3a8j h ALA 20 Cb 1.26 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3a8j h ALA 20 CO 0.53 -0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.03 3a8j n ASP 21 N -5.14 0.00 0.00 0.00 5.75 -1.26 -4.86 116.55 111.04 3a8j n ASP 21 Ca 0.16 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 3a8j n ASP 21 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3a8j n ASP 21 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a8j n GLY 22 N 0.53 2.35 3.84 6.12 0.00 -0.32 -5.06 105.19 112.66 3a8j n GLY 22 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3a8j n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a8j s THR 23 N -2.26 3.40 -0.15 2.61 -4.23 -1.26 -4.72 115.64 109.03 3a8j s THR 23 Ca 0.00 0.45 -0.02 0.00 -1.18 0.00 0.00 61.69 60.94 3a8j s THR 23 Cb 0.00 -3.33 -0.02 0.00 1.34 0.00 0.00 72.50 70.49 3a8j s THR 23 CO 0.00 -0.59 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.10 3a8j s TYR 24 N -3.24 2.94 0.02 3.99 1.51 0.62 -0.32 117.35 122.86 3a8j s TYR 24 Ca 0.59 -0.48 -0.27 0.00 -1.01 0.00 0.00 57.07 55.90 3a8j s TYR 24 Cb -0.13 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 3a8j s TYR 24 CO 0.53 -0.14 0.86 0.99 -1.11 0.00 0.00 175.55 176.67 3a8j s THR 25 N 0.45 4.80 0.03 -0.71 2.01 -0.05 -0.56 115.64 121.61 3a8j s THR 25 Ca -0.06 1.81 0.06 0.00 0.31 0.00 0.00 61.69 63.81 3a8j s THR 25 Cb -0.15 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.14 3a8j s THR 25 CO 0.04 0.27 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.37 3a8j s VAL 26 N 0.47 1.41 0.02 3.82 1.01 0.84 -0.48 120.40 127.49 3a8j s VAL 26 Ca 0.44 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 3a8j s VAL 26 Cb -0.21 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 34.95 3a8j s VAL 26 CO 0.25 0.18 0.05 0.61 0.00 0.00 0.00 175.10 176.19 3a8j n GLY 27 N 2.06 1.87 3.65 4.51 0.00 -1.04 -0.10 105.19 116.13 3a8j n GLY 27 Ca -0.17 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 3a8j n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a8j s ILE 28 N -2.91 3.63 0.86 -0.61 -4.36 -1.26 -1.80 121.20 114.75 3a8j s ILE 28 Ca 0.01 -1.54 -0.13 0.00 -0.26 0.00 0.00 60.65 58.74 3a8j s ILE 28 Cb -0.00 -2.84 0.13 0.00 1.25 0.00 0.00 42.46 40.99 3a8j s ILE 28 CO 0.01 -0.16 1.22 0.42 0.24 0.00 0.00 174.94 176.67 3a8j s THR 29 N -1.84 2.02 0.24 8.37 -4.23 -0.38 -4.61 115.64 115.21 3a8j s THR 29 Ca 0.28 -0.04 -0.06 0.00 -1.18 0.00 0.00 61.69 60.70 3a8j s THR 29 Cb -0.09 -2.99 0.20 0.00 1.34 0.00 0.00 72.50 70.97 3a8j s THR 29 CO 0.19 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 176.02 3a8j h GLU 30 N -1.25 0.85 -0.57 3.99 4.22 -1.92 -0.79 114.58 119.12 3a8j h GLU 30 Ca -0.45 -0.05 0.04 0.00 0.08 0.00 0.00 59.36 58.98 3a8j h GLU 30 Cb 1.29 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 3a8j h GLU 30 CO 0.53 0.56 0.32 1.25 -2.18 0.00 0.00 179.01 179.50 3a8j h HIS 31 N 0.88 0.60 -0.20 0.92 2.76 -1.92 -1.34 115.15 116.83 3a8j h HIS 31 Ca 0.37 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.41 3a8j h HIS 31 Cb 0.23 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 3a8j h HIS 31 CO -0.05 0.31 -0.51 0.00 -1.30 0.00 0.00 177.93 176.39 3a8j h ALA 32 N 1.28 0.73 -0.19 5.26 0.00 -1.63 -2.77 119.26 121.94 3a8j h ALA 32 Ca 0.24 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3a8j h ALA 32 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3a8j h ALA 32 CO -0.14 0.68 -0.48 -0.56 0.00 0.00 0.00 179.25 178.76 3a8j h GLN 33 N 0.44 0.49 -0.56 0.00 -0.00 -0.89 -1.71 115.11 112.89 3a8j h GLN 33 Ca 0.02 -0.28 0.08 0.00 -0.00 0.00 0.00 58.65 58.47 3a8j h GLN 33 Cb 1.05 0.02 -0.06 0.00 -0.00 0.00 0.00 27.48 28.48 3a8j h GLN 33 CO 0.10 0.86 0.22 1.49 -0.00 0.00 0.00 178.83 181.50 3a8j h GLU 34 N 0.39 0.40 -0.00 0.06 4.57 -1.12 0.23 114.58 119.11 3a8j h GLU 34 Ca 0.02 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.01 3a8j h GLU 34 Cb 0.98 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 3a8j h GLU 34 CO 0.09 0.27 -0.78 1.25 -1.18 0.00 0.00 179.01 178.66 3a8j h LEU 35 N 0.41 0.02 -0.31 1.64 5.85 -1.24 -3.17 115.31 118.51 3a8j h LEU 35 Ca 0.27 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.85 3a8j h LEU 35 Cb 0.29 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3a8j h LEU 35 CO -0.26 0.79 -0.29 0.25 -0.34 0.00 0.00 178.44 178.58 3a8j h LEU 36 N 0.01 0.80 0.00 2.25 5.85 -0.58 -3.50 115.31 120.14 3a8j h LEU 36 Ca -0.01 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3a8j h LEU 36 Cb 1.37 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3a8j h LEU 36 CO 0.10 1.10 0.00 0.61 -0.34 0.00 0.00 178.44 179.91 3a8j n GLY 37 N 0.13 -2.13 3.73 3.75 0.00 0.00 -4.84 105.19 105.84 3a8j n GLY 37 Ca -0.03 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 3a8j n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a8j s ASP 38 N -3.68 6.47 -0.04 1.61 1.01 -1.26 -4.91 116.67 115.87 3a8j s ASP 38 Ca 0.00 2.80 -0.23 0.00 0.71 0.00 0.00 52.55 55.83 3a8j s ASP 38 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3a8j s ASP 38 CO 0.00 -0.88 0.68 -0.32 0.21 0.00 0.00 175.17 174.86 3a8j s MET 39 N 0.44 4.42 -0.09 8.23 1.75 -1.26 -3.49 119.30 129.30 3a8j s MET 39 Ca 0.68 0.87 0.11 0.00 -1.25 0.00 0.00 55.69 56.10 3a8j s MET 39 Cb -0.47 -3.41 -0.16 0.00 2.84 0.00 0.00 34.83 33.63 3a8j s MET 39 CO 0.38 0.16 0.10 1.33 -0.65 0.00 0.00 175.02 176.35 3a8j n VAL 40 N 3.40 0.60 -4.05 10.11 0.24 0.12 -4.13 118.33 124.63 3a8j n VAL 40 Ca -0.03 -0.45 -0.08 0.00 -2.04 0.00 0.00 64.34 61.74 3a8j n VAL 40 Cb 0.51 -0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 32.32 3a8j n VAL 40 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3a8j s PHE 41 N -2.44 0.44 -0.03 6.34 0.08 -1.02 -4.79 117.98 116.56 3a8j s PHE 41 Ca -0.06 -0.81 0.03 0.00 0.12 0.00 0.00 56.93 56.21 3a8j s PHE 41 Cb 0.05 -0.31 -0.00 0.00 -0.57 0.00 0.00 43.02 42.18 3a8j s PHE 41 CO 0.49 -0.28 -0.12 0.54 -0.10 0.00 0.00 175.22 175.76 3a8j s VAL 42 N -2.78 0.98 -0.26 -0.44 0.11 -1.26 -0.44 120.40 116.31 3a8j s VAL 42 Ca -0.03 -0.48 -0.09 0.00 -2.93 0.00 0.00 61.98 58.45 3a8j s VAL 42 Cb -0.00 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 3a8j s VAL 42 CO -0.06 0.29 0.13 -1.81 -3.33 0.00 0.00 175.10 170.32 3a8j s ASP 43 N 0.06 5.55 0.18 3.54 1.01 0.08 -4.93 116.67 122.17 3a8j s ASP 43 Ca -0.02 -0.11 0.04 0.00 0.71 0.00 0.00 52.55 53.17 3a8j s ASP 43 Cb -0.09 -2.02 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 3a8j s ASP 43 CO 0.01 -0.04 0.26 -0.76 0.21 0.00 0.00 175.17 174.85 3a8j s LEU 44 N 1.67 4.18 0.87 1.23 1.43 -1.26 -1.65 118.68 125.15 3a8j s LEU 44 Ca 0.07 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 3a8j s LEU 44 Cb -0.15 -2.75 0.11 0.00 0.03 0.00 0.00 46.19 43.42 3a8j s LEU 44 CO 0.07 0.02 1.11 -2.16 0.23 0.00 0.00 176.35 175.63 3a8j s PRO 45 N -3.42 1.52 0.23 1.29 0.04 -1.20 -4.96 135.00 128.50 3a8j s PRO 45 Ca 0.34 0.49 -0.30 0.00 0.04 0.00 0.00 61.00 61.57 3a8j s PRO 45 Cb -0.10 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 3a8j s PRO 45 CO 0.27 -1.98 1.20 -1.21 0.04 0.00 0.00 177.00 175.32 3a8j s GLU 46 N -5.19 4.51 0.12 4.56 0.41 -1.26 -4.91 118.70 116.93 3a8j s GLU 46 Ca 0.63 1.92 -0.32 0.00 -0.41 0.00 0.00 54.97 56.78 3a8j s GLU 46 Cb -0.15 -3.20 -0.11 0.00 -1.78 0.00 0.00 34.13 28.89 3a8j s GLU 46 CO 0.54 -0.03 1.79 0.28 -0.49 0.00 0.00 175.26 177.35 3a8j n VAL 47 N 1.94 0.29 0.00 2.63 0.31 -1.26 -2.10 118.33 120.14 3a8j n VAL 47 Ca 0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3a8j n VAL 47 Cb 0.44 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 3a8j n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a8j n GLY 48 N 4.09 1.03 3.77 2.92 0.00 0.25 -5.03 105.19 112.22 3a8j n GLY 48 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3a8j n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a8j s ALA 49 N -2.18 3.56 -0.12 4.61 0.00 -0.89 -4.60 121.76 122.14 3a8j s ALA 49 Ca 0.00 1.38 -0.20 0.00 0.00 0.00 0.00 51.96 53.14 3a8j s ALA 49 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3a8j s ALA 49 CO 0.00 -0.80 0.58 0.99 0.00 0.00 0.00 175.76 176.53 3a8j s THR 50 N -0.81 5.11 0.16 0.00 2.01 -1.26 -0.49 115.64 120.35 3a8j s THR 50 Ca 0.53 1.15 0.11 0.00 0.31 0.00 0.00 61.69 63.79 3a8j s THR 50 Cb -0.43 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 3a8j s THR 50 CO 0.53 0.25 -0.25 0.68 -0.69 0.00 0.00 174.62 175.15 3a8j s VAL 51 N 0.99 2.24 0.07 3.82 -7.23 0.54 -4.99 120.40 115.84 3a8j s VAL 51 Ca 0.30 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 3a8j s VAL 51 Cb -0.16 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 3a8j s VAL 51 CO 0.13 -0.03 0.20 -0.44 -0.31 0.00 0.00 175.10 174.65 3a8j s SER 52 N -2.33 6.25 0.30 4.85 0.01 -1.26 -1.16 113.70 120.35 3a8j s SER 52 Ca 0.16 0.22 -0.28 0.00 1.31 0.00 0.00 55.95 57.36 3a8j s SER 52 Cb -0.09 -1.89 -0.14 0.00 0.21 0.00 0.00 66.02 64.11 3a8j s SER 52 CO 0.07 0.15 1.02 0.00 0.41 0.00 0.00 173.24 174.90 3a8j n ALA 53 N 0.20 -0.15 0.00 1.44 0.00 -1.21 -1.03 120.51 119.76 3a8j n ALA 53 Ca -0.06 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3a8j n ALA 53 Cb 0.51 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3a8j n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8j n GLY 54 N 1.20 2.30 3.74 0.00 0.00 0.63 -4.93 105.19 108.12 3a8j n GLY 54 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3a8j n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a8j n ASP 55 N 0.00 2.83 -4.50 1.61 8.00 -0.19 -4.75 116.55 119.55 3a8j n ASP 55 Ca 0.00 1.06 -0.43 0.00 0.71 0.00 0.00 54.79 56.13 3a8j n ASP 55 Cb 0.00 -1.56 -0.07 0.00 -0.02 0.00 0.00 41.12 39.47 3a8j n ASP 55 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3a8j s ASP 56 N -0.66 6.30 0.00 -2.24 -4.77 -1.26 -1.12 116.67 112.91 3a8j s ASP 56 Ca 0.65 -0.48 0.00 0.00 -3.30 0.00 0.00 52.55 49.42 3a8j s ASP 56 Cb -0.45 -2.32 0.00 0.00 -1.09 0.00 0.00 42.92 39.06 3a8j s ASP 56 CO 0.55 -0.83 0.71 0.00 0.70 0.00 0.00 175.17 176.30 3a8j s ALA 58 N -0.50 -1.48 -0.07 0.00 0.00 -1.09 -3.25 121.76 115.38 3a8j s ALA 58 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.28 3a8j s ALA 58 Cb 0.00 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.01 3a8j s ALA 58 CO 0.00 -0.80 -0.05 0.08 0.00 0.00 0.00 175.76 174.99 3a8j s VAL 59 N -3.78 0.68 -0.18 0.00 1.01 -0.66 -0.36 120.40 117.11 3a8j s VAL 59 Ca 0.03 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 3a8j s VAL 59 Cb -0.02 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 3a8j s VAL 59 CO -0.10 0.28 0.50 0.00 0.00 0.00 0.00 175.10 175.78 3a8j s ALA 60 N 1.33 3.53 -0.21 5.51 0.00 0.52 -0.74 121.76 131.70 3a8j s ALA 60 Ca -0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 3a8j s ALA 60 Cb -0.14 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 3a8j s ALA 60 CO -0.03 -0.35 -0.06 -1.21 0.00 0.00 0.00 175.76 174.12 3a8j s GLU 61 N 1.41 3.34 0.12 0.00 2.02 0.41 -0.27 118.70 125.73 3a8j s GLU 61 Ca 0.24 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.60 3a8j s GLU 61 Cb -0.15 -2.95 0.02 0.00 0.10 0.00 0.00 34.13 31.15 3a8j s GLU 61 CO 0.10 -0.18 0.14 -1.13 0.02 0.00 0.00 175.26 174.20 3a8j n SER 62 N 4.72 0.72 -0.63 -0.19 3.41 -1.26 0.15 113.62 120.54 3a8j n SER 62 Ca -0.18 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 3a8j n SER 62 Cb 0.51 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3a8j n SER 62 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3a8j n VAL 63 N -1.11 0.13 -1.50 -3.33 0.31 -1.23 -4.71 118.33 106.90 3a8j n VAL 63 Ca 0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.01 3a8j n VAL 63 Cb 0.12 -0.37 0.08 0.00 -0.91 0.00 0.00 33.84 32.76 3a8j n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a8j s ALA 65 N -0.60 2.19 0.34 3.52 0.00 -1.26 -5.15 121.76 120.80 3a8j s ALA 65 Ca 0.00 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 52.58 3a8j s ALA 65 Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 3a8j s ALA 65 CO 0.00 -1.75 0.78 0.00 0.00 0.00 0.00 175.76 174.79 3a8j s ALA 66 N -2.10 3.27 -0.21 0.00 0.00 -1.26 -4.40 121.76 117.07 3a8j s ALA 66 Ca 0.72 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.76 3a8j s ALA 66 Cb -0.27 -2.85 0.11 0.00 0.00 0.00 0.00 23.12 20.11 3a8j s ALA 66 CO 0.45 0.29 0.37 0.45 0.00 0.00 0.00 175.76 177.32 3a8j s SER 67 N -2.21 0.12 0.29 0.00 0.15 0.62 -4.96 113.70 107.71 3a8j s SER 67 Ca 0.55 0.54 -0.29 0.00 0.70 0.00 0.00 55.95 57.45 3a8j s SER 67 Cb -0.11 1.12 -0.10 0.00 -1.71 0.00 0.00 66.02 65.22 3a8j s SER 67 CO 0.17 -0.27 1.29 -1.81 1.20 0.00 0.00 173.24 173.83 3a8j s ASP 68 N 2.55 6.85 -0.15 5.45 1.01 -1.26 -0.36 116.67 130.75 3a8j s ASP 68 Ca 0.06 2.58 -0.02 0.00 0.71 0.00 0.00 52.55 55.88 3a8j s ASP 68 Cb -0.14 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.14 3a8j s ASP 68 CO -0.14 -0.50 -0.09 -0.63 0.21 0.00 0.00 175.17 174.03 3a8j s ILE 69 N -0.80 3.32 0.09 0.77 1.01 0.52 -4.89 121.20 121.22 3a8j s ILE 69 Ca 0.51 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.64 3a8j s ILE 69 Cb -0.38 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 3a8j s ILE 69 CO 0.48 0.50 0.08 -0.31 0.00 0.00 0.00 174.94 175.69 3a8j s TYR 70 N 0.58 3.17 -0.07 3.97 2.02 -1.26 -1.87 117.35 123.89 3a8j s TYR 70 Ca -0.06 0.06 -0.30 0.00 -0.37 0.00 0.00 57.07 56.41 3a8j s TYR 70 Cb -0.15 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 3a8j s TYR 70 CO 0.03 0.52 1.70 0.00 -1.57 0.00 0.00 175.55 176.23 3a8j s ALA 71 N -1.43 3.54 0.29 3.71 0.00 -0.28 -4.85 121.76 122.74 3a8j s ALA 71 Ca 0.29 0.91 0.02 0.00 0.00 0.00 0.00 51.96 53.18 3a8j s ALA 71 Cb -0.12 -3.78 0.43 0.00 0.00 0.00 0.00 23.12 19.65 3a8j s ALA 71 CO 0.22 -1.53 1.76 -1.00 0.00 0.00 0.00 175.76 175.21 3a8j h PRO 72 N 9.96 0.57 -4.77 0.00 0.13 -1.91 0.18 132.00 136.16 3a8j h PRO 72 Ca -0.40 -0.18 -0.30 0.00 -0.87 0.00 0.00 66.00 64.26 3a8j h PRO 72 Cb 1.18 -0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.11 3a8j h PRO 72 CO 0.96 0.70 -0.63 0.14 -0.23 0.00 0.00 178.00 178.94 3a8j s VAL 73 N -4.72 0.43 0.24 1.56 -7.23 -1.26 -4.69 120.40 104.74 3a8j s VAL 73 Ca -0.08 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 57.90 3a8j s VAL 73 Cb 0.14 -2.44 -0.09 0.00 0.56 0.00 0.00 36.38 34.56 3a8j s VAL 73 CO 0.79 -0.15 0.76 -0.44 -0.31 0.00 0.00 175.10 175.75 3a8j s SER 74 N -3.23 7.08 0.00 4.85 0.01 -1.26 -3.35 113.70 117.80 3a8j s SER 74 Ca 0.34 1.47 0.00 0.00 1.31 0.00 0.00 55.95 59.07 3a8j s SER 74 Cb 0.07 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.86 3a8j s SER 74 CO 0.10 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.36 3a8j n GLY 75 N 0.63 -1.06 3.44 3.44 0.00 -0.31 -1.91 105.19 109.41 3a8j n GLY 75 Ca -0.01 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 3a8j n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a8j s GLU 76 N -1.67 3.09 -0.04 1.61 2.12 -0.58 -0.34 118.70 122.89 3a8j s GLU 76 Ca 0.00 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.38 3a8j s GLU 76 Cb 0.00 -2.58 -0.05 0.00 0.26 0.00 0.00 34.13 31.76 3a8j s GLU 76 CO 0.00 0.38 1.41 0.42 -0.54 0.00 0.00 175.26 176.94 3a8j s ILE 77 N -0.09 3.81 -0.41 -3.70 -1.09 0.35 -0.43 121.20 119.64 3a8j s ILE 77 Ca -0.01 1.12 0.14 0.00 -2.23 0.00 0.00 60.65 59.67 3a8j s ILE 77 Cb -0.14 -3.72 -0.18 0.00 -1.58 0.00 0.00 42.46 36.84 3a8j s ILE 77 CO 0.03 -0.03 0.48 1.33 -1.23 0.00 0.00 174.94 175.52 3a8j n VAL 78 N 4.91 0.00 -3.48 2.92 0.24 0.73 -0.58 118.33 123.07 3a8j n VAL 78 Ca 0.14 -0.23 -0.14 0.00 -2.04 0.00 0.00 64.34 62.07 3a8j n VAL 78 Cb 0.44 0.68 -0.04 0.00 -1.47 0.00 0.00 33.84 33.45 3a8j n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a8j s ALA 79 N -2.57 -1.72 0.13 2.33 0.00 -1.13 -4.83 121.76 113.98 3a8j s ALA 79 Ca 0.01 0.95 0.04 0.00 0.00 0.00 0.00 51.96 52.96 3a8j s ALA 79 Cb 0.10 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 3a8j s ALA 79 CO 0.58 -0.57 -0.09 0.14 0.00 0.00 0.00 175.76 175.81 3a8j s VAL 80 N -2.48 1.05 -1.00 0.00 -7.23 -1.26 -1.10 120.40 108.38 3a8j s VAL 80 Ca -0.03 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 57.94 3a8j s VAL 80 Cb -0.01 -1.80 0.15 0.00 0.56 0.00 0.00 36.38 35.28 3a8j s VAL 80 CO -0.02 -0.78 1.19 0.21 -0.31 0.00 0.00 175.10 175.38 3a8j s ASN 81 N -3.13 6.76 0.62 4.85 3.84 -0.30 -4.87 114.94 122.71 3a8j s ASN 81 Ca 0.15 -2.36 0.26 0.00 0.21 0.00 0.00 52.86 51.12 3a8j s ASN 81 Cb 0.03 -2.39 1.23 0.00 -0.55 0.00 0.00 41.25 39.58 3a8j s ASN 81 CO -0.01 -0.94 1.67 0.44 -2.79 0.00 0.00 177.10 175.47 3a8j h ASP 82 N 8.30 0.00 0.51 -4.21 3.32 -1.94 -1.58 116.42 120.83 3a8j h ASP 82 Ca 0.20 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3a8j h ASP 82 Cb 0.98 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 3a8j h ASP 82 CO 1.12 0.00 -0.06 0.00 -1.72 0.00 0.00 179.24 178.58 3a8j h ALA 83 N 1.07 1.12 0.00 3.45 0.00 -1.94 -2.62 119.26 120.33 3a8j h ALA 83 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3a8j h ALA 83 Cb 1.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3a8j h ALA 83 CO -0.00 0.08 0.00 -0.07 0.00 0.00 0.00 179.25 179.26 3a8j h LEU 84 N 0.00 0.00 -1.00 0.00 3.38 -1.51 0.11 115.31 116.29 3a8j h LEU 84 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3a8j h LEU 84 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3a8j h LEU 84 CO 0.01 0.00 -0.08 0.28 0.09 0.00 0.00 178.44 178.74 3a8j h SER 85 N 0.00 0.61 0.00 -0.43 0.02 -1.67 -2.71 113.55 109.37 3a8j h SER 85 Ca 0.00 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 3a8j h SER 85 Cb 0.42 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3a8j h SER 85 CO 0.00 0.74 -1.94 0.47 -1.14 0.00 0.00 176.83 174.96 3a8j n ASP 86 N -4.20 0.68 -3.19 3.07 8.00 -1.14 -4.78 116.55 114.98 3a8j n ASP 86 Ca 0.01 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.28 3a8j n ASP 86 Cb 0.32 1.66 -0.05 0.00 -0.02 0.00 0.00 41.12 43.03 3a8j n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3a8j n SER 87 N -2.26 1.54 0.28 -2.24 7.64 0.36 -4.92 113.62 114.02 3a8j n SER 87 Ca -0.09 -3.05 0.16 0.00 1.01 0.00 0.00 58.87 56.90 3a8j n SER 87 Cb 0.62 -0.63 0.82 0.00 -1.01 0.00 0.00 64.21 64.01 3a8j n SER 87 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3a8j h PRO 88 N 3.55 0.00 0.00 1.43 0.13 -1.69 -2.26 132.00 133.16 3a8j h PRO 88 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 3a8j h PRO 88 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 3a8j h PRO 88 CO 0.58 0.07 -0.03 1.05 -0.23 0.00 0.00 178.00 179.44 3a8j h GLU 89 N 0.00 0.00 -0.85 0.86 9.09 -1.89 -2.15 114.58 119.65 3a8j h GLU 89 Ca -0.00 0.00 0.25 0.00 0.05 0.00 0.00 59.36 59.65 3a8j h GLU 89 Cb 0.32 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.39 3a8j h GLU 89 CO 0.01 0.03 0.63 -0.07 0.05 0.00 0.00 179.01 179.65 3a8j h LEU 90 N 0.00 0.00 -1.62 3.06 3.38 -1.76 0.20 115.31 118.57 3a8j h LEU 90 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3a8j h LEU 90 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3a8j h LEU 90 CO 0.00 0.00 -0.11 0.58 0.09 0.00 0.00 178.44 179.01 3a8j h VAL 91 N 0.00 1.12 0.08 1.22 2.07 -1.61 0.29 116.25 119.43 3a8j h VAL 91 Ca 0.40 -0.55 -0.26 0.00 0.82 0.00 0.00 66.70 67.12 3a8j h VAL 91 Cb 1.65 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3a8j h VAL 91 CO -0.00 0.17 -1.33 0.78 0.02 0.00 0.00 177.57 177.20 3a8j h ASN 92 N 0.11 0.28 0.28 0.57 4.21 -0.89 -3.28 115.58 116.86 3a8j h ASN 92 Ca 0.02 -0.80 -0.32 0.00 1.21 0.00 0.00 56.30 56.41 3a8j h ASN 92 Cb 0.26 -0.09 0.03 0.00 -1.12 0.00 0.00 38.32 37.40 3a8j h ASN 92 CO 0.02 1.57 -1.41 0.77 -1.29 0.00 0.00 177.43 177.08 3a8j h SER 93 N -0.46 0.81 -2.19 5.81 4.64 -0.92 -3.39 113.55 117.85 3a8j h SER 93 Ca -0.30 -0.84 -0.57 0.00 -0.47 0.00 0.00 61.79 59.61 3a8j h SER 93 Cb 1.64 -0.26 -0.41 0.00 -0.31 0.00 0.00 62.40 63.05 3a8j h SER 93 CO 0.00 1.65 -0.78 -0.62 -0.87 0.00 0.00 176.83 176.21 3a8j n GLU 94 N -3.71 2.46 0.20 4.77 1.02 0.10 -4.96 120.64 120.53 3a8j n GLU 94 Ca -0.15 -4.40 0.14 0.00 -0.02 0.00 0.00 57.16 52.72 3a8j n GLU 94 Cb 1.08 -2.06 0.75 0.00 -0.02 0.00 0.00 31.44 31.19 3a8j n GLU 94 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3a8j h PRO 95 N 3.26 0.00 -0.01 3.49 0.13 -1.62 -0.51 132.00 136.74 3a8j h PRO 95 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3a8j h PRO 95 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3a8j h PRO 95 CO 0.73 0.00 -0.47 0.66 -0.23 0.00 0.00 178.00 178.69 3a8j n TYR 96 N -4.20 0.00 0.00 1.56 4.01 -1.26 -4.14 117.16 113.13 3a8j n TYR 96 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3a8j n TYR 96 Cb 0.25 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 3a8j n TYR 96 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a8j n ALA 97 N -0.69 0.00 0.25 -0.72 0.00 -0.34 -4.84 120.51 114.17 3a8j n ALA 97 Ca 0.09 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.70 3a8j n ALA 97 Cb 0.38 0.00 0.89 0.00 0.00 0.00 0.00 19.45 20.72 3a8j n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3a8j h GLY 98 N 0.00 0.00 -0.41 0.00 0.00 -1.87 -2.70 103.07 98.09 3a8j h GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a8j h GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3a8j n GLY 99 N -1.16 -0.08 3.54 4.60 0.00 -0.40 -4.80 105.19 106.89 3a8j n GLY 99 Ca -0.02 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 3a8j n GLY 99 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3a8j n TRP 100 N 0.01 0.32 -0.10 1.61 4.27 -1.02 -4.49 117.44 118.04 3a8j n TRP 100 Ca 0.16 0.55 -0.15 0.00 -3.89 0.00 0.00 57.50 54.17 3a8j n TRP 100 Cb 0.26 -2.10 -0.05 0.00 -1.36 0.00 0.00 31.31 28.06 3a8j n TRP 100 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 3a8j n ILE 101 N -0.91 1.48 -4.12 -1.67 2.08 0.85 -4.57 119.36 112.51 3a8j n ILE 101 Ca 0.11 -0.02 -0.14 0.00 0.56 0.00 0.00 62.75 63.27 3a8j n ILE 101 Cb 0.41 -2.18 -0.06 0.00 -0.75 0.00 0.00 39.64 37.07 3a8j n ILE 101 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 176.55 177.83 3a8j s PHE 102 N -2.75 1.04 -0.01 1.39 -0.12 -0.99 -1.15 117.98 115.39 3a8j s PHE 102 Ca -0.31 -1.25 0.06 0.00 -0.05 0.00 0.00 56.93 55.38 3a8j s PHE 102 Cb 0.07 -0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.24 3a8j s PHE 102 CO 0.43 -0.99 -0.19 0.15 -0.05 0.00 0.00 175.22 174.57 3a8j s LYS 103 N -3.48 1.54 -0.01 1.99 1.02 -0.26 -0.11 119.74 120.43 3a8j s LYS 103 Ca 0.32 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.66 3a8j s LYS 103 Cb 0.01 -1.49 -0.01 0.00 -0.52 0.00 0.00 37.83 35.82 3a8j s LYS 103 CO 0.18 0.41 -0.10 -1.50 -0.92 0.00 0.00 175.35 173.42 3a8j s ILE 104 N -0.45 0.80 -0.53 2.17 2.07 0.27 -0.19 121.20 125.34 3a8j s ILE 104 Ca 0.07 -0.42 -0.18 0.00 -1.41 0.00 0.00 60.65 58.71 3a8j s ILE 104 Cb -0.07 -0.68 0.08 0.00 0.13 0.00 0.00 42.46 41.91 3a8j s ILE 104 CO -0.01 0.23 0.61 -0.75 -1.91 0.00 0.00 174.94 173.12 3a8j s LYS 105 N -0.14 3.07 0.39 3.50 2.20 0.42 -0.28 119.74 128.91 3a8j s LYS 105 Ca 0.02 -1.12 -0.27 0.00 -0.36 0.00 0.00 55.97 54.25 3a8j s LYS 105 Cb -0.05 -4.16 -0.09 0.00 -1.51 0.00 0.00 37.83 32.02 3a8j s LYS 105 CO -0.00 -1.29 1.30 0.00 -0.36 0.00 0.00 175.35 174.99 3a8j s ALA 106 N 2.46 3.31 -0.03 3.13 0.00 -1.26 -1.53 121.76 127.83 3a8j s ALA 106 Ca 0.12 1.23 0.05 0.00 0.00 0.00 0.00 51.96 53.36 3a8j s ALA 106 Cb -0.22 -3.48 0.08 0.00 0.00 0.00 0.00 23.12 19.50 3a8j s ALA 106 CO 0.09 -0.77 1.03 -1.13 0.00 0.00 0.00 175.76 174.99 3a8j n SER 107 N 0.28 2.04 -3.45 0.00 3.41 -0.81 -4.92 113.62 110.17 3a8j n SER 107 Ca 0.03 -2.27 -0.19 0.00 -0.26 0.00 0.00 58.87 56.18 3a8j n SER 107 Cb 0.43 -0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.15 3a8j n SER 107 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a8j s ASP 108 N -1.48 1.74 0.48 4.04 -1.08 -1.26 -4.98 116.67 114.13 3a8j s ASP 108 Ca 0.08 -0.59 0.24 0.00 -0.52 0.00 0.00 52.55 51.77 3a8j s ASP 108 Cb 0.07 0.38 1.21 0.00 -1.46 0.00 0.00 42.92 43.12 3a8j s ASP 108 CO 0.01 -0.37 1.97 -0.33 0.52 0.00 0.00 175.17 176.97 3a8j h GLU 109 N 8.30 0.00 0.00 4.34 4.39 -1.97 -1.89 114.58 127.74 3a8j h GLU 109 Ca -0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3a8j h GLU 109 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3a8j h GLU 109 CO 0.33 0.18 0.00 0.66 -1.16 0.00 0.00 179.01 179.02 3a8j h SER 110 N 0.00 0.00 -0.17 1.42 4.64 -2.00 -2.88 113.55 114.56 3a8j h SER 110 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3a8j h SER 110 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3a8j h SER 110 CO 0.02 0.00 -0.21 -0.33 -0.87 0.00 0.00 176.83 175.44 3a8j h GLU 111 N 0.00 0.45 0.00 4.77 5.08 -1.78 -3.01 114.58 120.09 3a8j h GLU 111 Ca 0.00 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3a8j h GLU 111 Cb 0.93 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 3a8j h GLU 111 CO 0.00 0.83 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.73 3a8j h LEU 112 N 0.09 0.00 0.00 1.33 3.38 -1.41 -2.09 115.31 116.62 3a8j h LEU 112 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3a8j h LEU 112 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3a8j h LEU 112 CO 0.05 0.04 -1.13 -0.62 0.09 0.00 0.00 178.44 176.87 3a8j n GLU 113 N -3.41 0.55 0.26 1.13 1.02 -1.18 -3.59 120.64 115.41 3a8j n GLU 113 Ca -0.02 0.06 0.16 0.00 -0.02 0.00 0.00 57.16 57.34 3a8j n GLU 113 Cb 0.17 -1.74 0.64 0.00 -0.02 0.00 0.00 31.44 30.48 3a8j n GLU 113 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3a8j h SER 114 N 0.00 0.00 -3.85 1.62 0.02 -1.24 -3.46 113.55 106.64 3a8j h SER 114 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 3a8j h SER 114 Cb 0.95 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.64 3a8j h SER 114 CO 0.00 0.00 0.42 0.18 -1.14 0.00 0.00 176.83 176.29 3a8j n LEU 115 N -2.99 4.95 -4.83 5.07 4.77 -1.18 -4.98 117.00 117.81 3a8j n LEU 115 Ca 0.01 0.90 -0.33 0.00 -0.03 0.00 0.00 56.01 56.56 3a8j n LEU 115 Cb 0.31 -1.51 -0.06 0.00 -2.33 0.00 0.00 43.42 39.83 3a8j n LEU 115 CO 0.27 -1.09 0.61 -0.76 -1.33 0.00 0.00 177.39 175.09 3a8j s LEU 116 N -3.06 3.90 0.76 2.23 1.43 -0.32 -4.85 118.68 118.78 3a8j s LEU 116 Ca 0.75 1.59 -0.04 0.00 -1.03 0.00 0.00 54.13 55.40 3a8j s LEU 116 Cb -0.42 -4.45 0.14 0.00 0.03 0.00 0.00 46.19 41.49 3a8j s LEU 116 CO 0.47 -0.37 1.05 1.51 0.23 0.00 0.00 176.35 179.24 3a8j s ASP 117 N -2.37 4.15 0.19 2.29 1.47 -1.26 -1.05 116.67 120.09 3a8j s ASP 117 Ca 0.60 -0.20 -0.17 0.00 1.18 0.00 0.00 52.55 53.95 3a8j s ASP 117 Cb -0.09 -0.14 0.15 0.00 -0.34 0.00 0.00 42.92 42.50 3a8j s ASP 117 CO 0.17 -2.00 1.62 0.00 0.68 0.00 0.00 175.17 175.64 3a8j h ALA 118 N -0.73 0.18 -0.70 2.11 0.00 -1.73 -2.03 119.26 116.37 3a8j h ALA 118 Ca -0.38 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3a8j h ALA 118 Cb 1.26 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 3a8j h ALA 118 CO 0.41 -0.53 0.24 1.79 0.00 0.00 0.00 179.25 181.15 3a8j h THR 119 N -0.09 1.25 -0.76 0.00 1.35 -1.94 -1.30 112.91 111.42 3a8j h THR 119 Ca 0.24 -0.85 -0.01 0.00 -0.55 0.00 0.00 66.41 65.23 3a8j h THR 119 Cb 0.46 0.49 -0.04 0.00 -1.73 0.00 0.00 68.15 67.33 3a8j h THR 119 CO -0.57 0.33 0.43 0.00 -0.25 0.00 0.00 175.52 175.46 3a8j h ALA 120 N 1.11 1.32 -0.15 6.62 0.00 -1.86 -0.85 119.26 125.45 3a8j h ALA 120 Ca 0.23 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3a8j h ALA 120 Cb 0.28 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3a8j h ALA 120 CO -0.01 0.56 -0.14 -0.92 0.00 0.00 0.00 179.25 178.74 3a8j h TYR 121 N 1.06 0.42 -0.90 0.00 3.20 -0.68 0.02 116.97 120.09 3a8j h TYR 121 Ca 0.27 -0.13 0.19 0.00 3.14 0.00 0.00 58.73 62.21 3a8j h TYR 121 Cb 0.01 -0.09 -0.11 0.00 1.54 0.00 0.00 36.73 38.08 3a8j h TYR 121 CO 0.01 0.74 0.45 0.93 -1.64 0.00 0.00 178.16 178.64 3a8j h GLU 122 N -0.02 0.52 -0.61 1.82 5.08 -1.13 0.90 114.58 121.14 3a8j h GLU 122 Ca 0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3a8j h GLU 122 Cb 0.67 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3a8j h GLU 122 CO 0.04 0.34 0.23 0.00 -1.00 0.00 0.00 179.01 178.62 3a8j h ALA 123 N 1.65 0.79 -0.49 3.43 0.00 -0.90 -2.65 119.26 121.08 3a8j h ALA 123 Ca 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3a8j h ALA 123 Cb 0.91 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3a8j h ALA 123 CO -0.45 0.41 0.32 1.25 0.00 0.00 0.00 179.25 180.78 3a8j h LEU 124 N 0.85 0.57 -0.66 0.00 5.85 0.12 -0.60 115.31 121.43 3a8j h LEU 124 Ca 0.20 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3a8j h LEU 124 Cb 0.22 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3a8j h LEU 124 CO -0.01 0.42 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.28 3a8j h LEU 125 N 0.66 0.00 -1.07 2.25 3.38 -1.19 -3.24 115.31 116.11 3a8j h LEU 125 Ca 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3a8j h LEU 125 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3a8j h LEU 125 CO -0.04 0.15 -0.28 -0.33 0.09 0.00 0.00 178.44 178.03 3a8j h GLU 126 N 0.00 0.00 0.00 1.13 5.08 -0.73 -3.51 114.58 116.54 3a8j h GLU 126 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a8j h GLU 126 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3a8j h GLU 126 CO 0.02 0.28 0.00 -0.25 -1.00 0.00 0.00 179.01 178.06