#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8i n ASN 2 N 0.00 0.00 -3.38 4.04 3.02 -1.26 -3.54 115.26 114.14 3a8i n ASN 2 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.30 3a8i n ASN 2 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 3a8i n ASN 2 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a8i s VAL 3 N 0.00 0.05 0.28 2.41 1.01 -1.26 -4.53 120.40 118.37 3a8i s VAL 3 Ca 0.00 -1.84 -0.29 0.00 0.00 0.00 0.00 61.98 59.85 3a8i s VAL 3 Cb 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 36.38 35.23 3a8i s VAL 3 CO 0.00 -0.95 1.22 -2.65 0.00 0.00 0.00 175.10 172.72 3a8i n PRO 4 N 3.64 1.76 -0.27 2.72 -0.02 -1.23 -4.91 135.00 136.68 3a8i n PRO 4 Ca 0.18 0.62 -0.05 0.00 -2.02 0.00 0.00 63.50 62.23 3a8i n PRO 4 Cb 0.43 -2.14 0.06 0.00 -0.02 0.00 0.00 33.50 31.83 3a8i n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a8i h ALA 5 N 2.88 0.96 0.00 3.55 0.00 -1.98 -3.20 119.26 121.47 3a8i h ALA 5 Ca -0.43 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3a8i h ALA 5 Cb 1.31 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3a8i h ALA 5 CO 0.66 0.46 0.00 1.05 0.00 0.00 0.00 179.25 181.42 3a8i h GLU 6 N 1.03 0.00 -7.32 0.00 9.09 -2.00 -3.37 114.58 112.01 3a8i h GLU 6 Ca 0.27 0.00 -0.50 0.00 0.05 0.00 0.00 59.36 59.17 3a8i h GLU 6 Cb 0.01 0.00 0.06 0.00 -1.65 0.00 0.00 28.75 27.17 3a8i h GLU 6 CO -0.05 0.00 0.40 -0.51 0.05 0.00 0.00 179.01 178.90 3a8i s LEU 7 N -6.13 3.28 0.16 3.06 1.43 -1.21 -4.96 118.68 114.31 3a8i s LEU 7 Ca 0.05 1.53 -0.00 0.00 -1.03 0.00 0.00 54.13 54.68 3a8i s LEU 7 Cb 0.06 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 3a8i s LEU 7 CO 0.63 -1.01 0.34 -0.54 0.23 0.00 0.00 176.35 176.00 3a8i s LYS 8 N -4.91 3.50 0.00 1.70 -0.14 -0.53 -3.67 119.74 115.71 3a8i s LYS 8 Ca 0.57 -0.38 0.02 0.00 -1.36 0.00 0.00 55.97 54.82 3a8i s LYS 8 Cb -0.12 -2.89 -0.01 0.00 -1.68 0.00 0.00 37.83 33.13 3a8i s LYS 8 CO 0.50 0.46 -0.06 0.71 -0.76 0.00 0.00 175.35 176.20 3a8i s TYR 9 N -1.77 0.57 0.15 3.18 2.02 0.22 -0.88 117.35 120.84 3a8i s TYR 9 Ca 0.37 -0.17 0.06 0.00 -0.37 0.00 0.00 57.07 56.96 3a8i s TYR 9 Cb -0.11 -0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.05 3a8i s TYR 9 CO 0.28 -0.02 0.08 0.45 -1.57 0.00 0.00 175.55 174.77 3a8i s SER 10 N -0.38 5.24 0.29 2.29 0.15 0.20 0.10 113.70 121.59 3a8i s SER 10 Ca 0.00 -0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.48 3a8i s SER 10 Cb -0.04 -1.29 0.70 0.00 -1.71 0.00 0.00 66.02 63.69 3a8i s SER 10 CO -0.00 0.09 1.70 0.07 1.20 0.00 0.00 173.24 176.30 3a8i h LYS 11 N 2.67 0.38 -0.87 5.44 2.10 -1.94 -1.71 116.57 122.65 3a8i h LYS 11 Ca -0.47 -0.02 -0.19 0.00 -2.00 0.00 0.00 60.65 57.96 3a8i h LYS 11 Cb 1.19 -0.09 -0.12 0.00 -0.90 0.00 0.00 32.23 32.32 3a8i h LYS 11 CO 0.61 0.25 0.25 0.39 -2.00 0.00 0.00 179.45 178.96 3a8i n GLU 12 N -5.05 2.69 -2.73 0.07 4.71 -1.26 -4.88 120.64 114.19 3a8i n GLU 12 Ca 0.21 -2.11 -0.09 0.00 -0.01 0.00 0.00 57.16 55.17 3a8i n GLU 12 Cb 0.63 -1.91 0.05 0.00 -1.01 0.00 0.00 31.44 29.20 3a8i n GLU 12 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3a8i n HIS 13 N -0.15 -1.19 -4.49 -0.32 8.25 -0.64 -4.94 115.22 111.74 3a8i n HIS 13 Ca 0.31 0.50 -0.24 0.00 -0.26 0.00 0.00 57.72 58.03 3a8i n HIS 13 Cb 1.12 -3.63 -0.10 0.00 1.12 0.00 0.00 29.99 28.51 3a8i n HIS 13 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3a8i s GLU 14 N -4.63 1.70 0.12 -0.41 2.02 -1.24 -2.65 118.70 113.61 3a8i s GLU 14 Ca 0.03 -1.85 0.10 0.00 0.02 0.00 0.00 54.97 53.27 3a8i s GLU 14 Cb -0.00 -1.54 -0.04 0.00 0.10 0.00 0.00 34.13 32.65 3a8i s GLU 14 CO 0.39 0.15 -0.24 1.67 0.02 0.00 0.00 175.26 177.25 3a8i s TRP 15 N -2.72 2.40 -0.09 1.61 1.48 -0.68 -0.63 118.94 120.30 3a8i s TRP 15 Ca 0.31 -0.34 0.01 0.00 -1.06 0.00 0.00 56.10 55.02 3a8i s TRP 15 Cb 0.01 -1.29 0.02 0.00 -1.16 0.00 0.00 33.47 31.05 3a8i s TRP 15 CO 0.14 0.35 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.75 3a8i s LEU 16 N -2.04 1.56 -0.19 -4.66 2.01 -0.06 -3.16 118.68 112.14 3a8i s LEU 16 Ca 0.15 -0.34 -0.00 0.00 0.01 0.00 0.00 54.13 53.95 3a8i s LEU 16 Cb -0.10 -0.91 0.01 0.00 0.01 0.00 0.00 46.19 45.20 3a8i s LEU 16 CO 0.07 -0.01 -0.16 -0.60 1.01 0.00 0.00 176.35 176.66 3a8i s ARG 17 N 1.02 3.09 0.12 1.70 3.52 -0.74 -1.45 118.95 126.23 3a8i s ARG 17 Ca -0.07 -0.78 -0.31 0.00 -0.13 0.00 0.00 55.73 54.44 3a8i s ARG 17 Cb -0.15 -2.67 -0.08 0.00 -1.56 0.00 0.00 34.95 30.49 3a8i s ARG 17 CO -0.01 -0.19 1.42 0.21 -0.81 0.00 0.00 175.30 175.92 3a8i s LYS 18 N 1.28 4.30 0.13 5.12 2.20 -1.26 -2.35 119.74 129.16 3a8i s LYS 18 Ca 0.04 2.12 -0.05 0.00 -0.36 0.00 0.00 55.97 57.72 3a8i s LYS 18 Cb -0.14 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 3a8i s LYS 18 CO -0.10 -0.46 0.36 -1.21 -0.36 0.00 0.00 175.35 173.58 3a8i s GLU 19 N 1.09 3.61 0.00 4.03 0.41 0.13 -4.96 118.70 123.00 3a8i s GLU 19 Ca 0.65 -0.10 0.00 0.00 -0.41 0.00 0.00 54.97 55.12 3a8i s GLU 19 Cb -0.38 -2.88 0.00 0.00 -1.78 0.00 0.00 34.13 29.09 3a8i s GLU 19 CO 0.30 0.49 0.00 0.00 -0.49 0.00 0.00 175.26 175.57 3a8i n ALA 20 N 0.21 1.13 -1.42 5.21 0.00 -1.26 -0.95 120.51 123.44 3a8i n ALA 20 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.44 3a8i n ALA 20 Cb 0.52 -0.89 0.05 0.00 0.00 0.00 0.00 19.45 19.12 3a8i n ALA 20 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3a8i n ASP 21 N 0.72 0.93 0.00 0.00 5.75 -1.26 -5.01 116.55 117.68 3a8i n ASP 21 Ca 0.00 -2.24 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 3a8i n ASP 21 Cb 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 3a8i n ASP 21 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a8i n GLY 22 N -0.51 2.81 3.91 6.12 0.00 -0.13 -5.02 105.19 112.36 3a8i n GLY 22 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 3a8i n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a8i s THR 23 N -0.81 3.25 -0.15 2.61 -4.23 -1.25 -4.73 115.64 110.32 3a8i s THR 23 Ca 0.00 0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 60.61 3a8i s THR 23 Cb 0.00 -3.35 -0.01 0.00 1.34 0.00 0.00 72.50 70.47 3a8i s THR 23 CO 0.00 -0.41 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.25 3a8i s TYR 24 N -3.20 2.86 -0.12 3.99 2.02 0.21 -0.70 117.35 122.41 3a8i s TYR 24 Ca 0.57 -0.67 -0.30 0.00 -0.37 0.00 0.00 57.07 56.30 3a8i s TYR 24 Cb -0.11 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.54 3a8i s TYR 24 CO 0.48 -0.25 1.17 0.99 -1.57 0.00 0.00 175.55 176.36 3a8i s THR 25 N 0.54 4.40 -0.05 -0.71 2.01 -0.99 0.44 115.64 121.28 3a8i s THR 25 Ca -0.07 1.70 0.04 0.00 0.31 0.00 0.00 61.69 63.66 3a8i s THR 25 Cb -0.15 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 3a8i s THR 25 CO 0.04 -0.07 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.06 3a8i s VAL 26 N 2.73 3.07 0.04 3.82 1.01 0.33 -1.78 120.40 129.62 3a8i s VAL 26 Ca 0.53 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 3a8i s VAL 26 Cb -0.21 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 33.96 3a8i s VAL 26 CO 0.17 0.58 0.08 0.61 0.00 0.00 0.00 175.10 176.54 3a8i n GLY 27 N 2.26 1.87 3.79 4.51 0.00 -1.19 -0.50 105.19 115.92 3a8i n GLY 27 Ca -0.17 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 3a8i n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a8i s ILE 28 N -2.90 4.02 0.66 -0.61 -4.36 -1.26 -1.69 121.20 115.06 3a8i s ILE 28 Ca 0.02 -1.52 -0.10 0.00 -0.26 0.00 0.00 60.65 58.79 3a8i s ILE 28 Cb -0.00 -3.23 0.00 0.00 1.25 0.00 0.00 42.46 40.48 3a8i s ILE 28 CO 0.01 -0.32 1.03 0.42 0.24 0.00 0.00 174.94 176.32 3a8i s THR 29 N -2.22 3.73 0.19 8.37 -4.23 -1.08 -4.58 115.64 115.82 3a8i s THR 29 Ca 0.34 0.40 -0.14 0.00 -1.18 0.00 0.00 61.69 61.10 3a8i s THR 29 Cb -0.07 -3.53 0.14 0.00 1.34 0.00 0.00 72.50 70.38 3a8i s THR 29 CO 0.24 -0.66 1.67 -0.08 -0.54 0.00 0.00 174.62 175.25 3a8i h GLU 30 N -0.46 0.07 -0.51 3.99 4.57 -1.92 0.00 114.58 120.33 3a8i h GLU 30 Ca -0.45 -0.00 0.10 0.00 -1.18 0.00 0.00 59.36 57.83 3a8i h GLU 30 Cb 1.24 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 29.72 3a8i h GLU 30 CO 0.63 0.05 -0.17 1.25 -1.18 0.00 0.00 179.01 179.58 3a8i h HIS 31 N 0.07 -0.41 -0.50 0.92 2.76 -1.92 -0.38 115.15 115.69 3a8i h HIS 31 Ca 0.25 0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.41 3a8i h HIS 31 Cb 0.38 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 3a8i h HIS 31 CO -0.35 -0.26 0.09 0.00 -1.30 0.00 0.00 177.93 176.11 3a8i h ALA 32 N 1.38 0.66 -0.53 5.26 0.00 -1.61 -2.41 119.26 122.02 3a8i h ALA 32 Ca 0.24 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3a8i h ALA 32 Cb 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3a8i h ALA 32 CO -0.55 0.38 0.15 -0.56 0.00 0.00 0.00 179.25 178.67 3a8i h GLN 33 N 0.70 0.79 -0.04 0.00 -0.00 -0.40 -1.99 115.11 114.18 3a8i h GLN 33 Ca 0.15 -0.15 0.03 0.00 -0.00 0.00 0.00 58.65 58.68 3a8i h GLN 33 Cb 0.38 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.48 27.70 3a8i h GLN 33 CO 0.01 0.70 -0.13 1.49 -0.00 0.00 0.00 178.83 180.90 3a8i h GLU 34 N 0.77 -0.19 -0.24 0.06 4.22 -0.67 -1.11 114.58 117.42 3a8i h GLU 34 Ca 0.17 0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.54 3a8i h GLU 34 Cb 0.26 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3a8i h GLU 34 CO -0.01 -0.13 -0.24 -0.07 -2.18 0.00 0.00 179.01 176.39 3a8i h LEU 35 N -0.20 0.44 -0.59 1.64 3.38 -1.31 -2.86 115.31 115.81 3a8i h LEU 35 Ca 0.06 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 3a8i h LEU 35 Cb 0.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3a8i h LEU 35 CO -0.16 0.69 -0.23 0.25 0.09 0.00 0.00 178.44 179.08 3a8i h LEU 36 N 0.40 0.91 0.00 1.67 5.85 -0.94 -3.50 115.31 119.70 3a8i h LEU 36 Ca 0.06 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3a8i h LEU 36 Cb 0.64 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3a8i h LEU 36 CO 0.05 1.10 0.00 0.61 -0.34 0.00 0.00 178.44 179.85 3a8i n GLY 37 N -0.16 -2.34 3.68 3.75 0.00 -0.46 -4.77 105.19 104.90 3a8i n GLY 37 Ca 0.00 -1.55 -0.55 0.00 0.00 0.00 0.00 46.02 43.92 3a8i n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a8i n ASP 38 N -0.57 2.41 -4.74 1.61 8.00 -1.26 -4.89 116.55 117.10 3a8i n ASP 38 Ca 0.00 1.07 -0.40 0.00 0.71 0.00 0.00 54.79 56.17 3a8i n ASP 38 Cb 0.00 -1.20 -0.05 0.00 -0.02 0.00 0.00 41.12 39.86 3a8i n ASP 38 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3a8i s MET 39 N 2.84 4.60 -0.00 -1.24 -1.94 -1.26 -3.54 119.30 118.76 3a8i s MET 39 Ca 0.94 1.25 0.00 0.00 -1.71 0.00 0.00 55.69 56.17 3a8i s MET 39 Cb -0.98 -3.36 -0.00 0.00 2.01 0.00 0.00 34.83 32.51 3a8i s MET 39 CO 0.58 0.29 0.00 1.33 -0.01 0.00 0.00 175.02 177.21 3a8i n VAL 40 N 2.65 0.00 -3.63 -6.03 0.24 -0.30 -3.68 118.33 107.59 3a8i n VAL 40 Ca -0.01 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 61.89 3a8i n VAL 40 Cb 0.49 0.78 -0.07 0.00 -1.47 0.00 0.00 33.84 33.57 3a8i n VAL 40 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3a8i s PHE 41 N -1.45 -0.78 -0.08 6.34 5.36 -1.08 -4.83 117.98 121.46 3a8i s PHE 41 Ca 0.00 1.83 0.02 0.00 -0.96 0.00 0.00 56.93 57.82 3a8i s PHE 41 Cb 0.00 0.33 0.01 0.00 -0.34 0.00 0.00 43.02 43.02 3a8i s PHE 41 CO 0.00 -0.37 -0.13 0.08 -1.46 0.00 0.00 175.22 173.34 3a8i s VAL 42 N 0.52 1.26 -0.91 3.12 1.01 -1.26 -0.31 120.40 123.83 3a8i s VAL 42 Ca -0.01 -0.52 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 3a8i s VAL 42 Cb -0.05 -1.16 0.21 0.00 0.00 0.00 0.00 36.38 35.38 3a8i s VAL 42 CO -0.03 0.39 0.93 -0.62 0.00 0.00 0.00 175.10 175.77 3a8i s ASP 43 N 0.85 6.83 0.91 3.32 -1.08 0.27 -4.89 116.67 122.88 3a8i s ASP 43 Ca -0.10 -2.69 -0.11 0.00 -0.52 0.00 0.00 52.55 49.13 3a8i s ASP 43 Cb -0.15 -2.26 0.13 0.00 -1.46 0.00 0.00 42.92 39.18 3a8i s ASP 43 CO 0.01 -0.65 1.10 0.18 0.52 0.00 0.00 175.17 176.33 3a8i n LEU 44 N 4.45 3.18 -4.93 -1.34 4.77 -1.26 -2.42 117.00 119.45 3a8i n LEU 44 Ca 0.19 0.43 -0.27 0.00 -0.03 0.00 0.00 56.01 56.33 3a8i n LEU 44 Cb 0.46 -1.46 0.10 0.00 -2.33 0.00 0.00 43.42 40.19 3a8i n LEU 44 CO 0.40 -2.22 0.69 -2.16 -1.33 0.00 0.00 177.39 172.77 3a8i s PRO 45 N -4.49 1.80 -0.21 3.23 0.04 -1.25 -4.83 135.00 129.29 3a8i s PRO 45 Ca 0.67 -0.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.12 3a8i s PRO 45 Cb -0.24 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.23 3a8i s PRO 45 CO 0.58 -1.55 1.05 -1.21 0.04 0.00 0.00 177.00 175.91 3a8i s GLU 46 N -5.42 4.28 0.31 4.56 0.41 -1.26 -4.90 118.70 116.67 3a8i s GLU 46 Ca 0.64 1.39 -0.30 0.00 -0.41 0.00 0.00 54.97 56.29 3a8i s GLU 46 Cb -0.09 -3.63 -0.12 0.00 -1.78 0.00 0.00 34.13 28.51 3a8i s GLU 46 CO 0.47 -0.59 1.53 0.28 -0.49 0.00 0.00 175.26 176.46 3a8i n VAL 47 N 5.22 1.31 0.00 2.63 0.31 -1.26 -2.28 118.33 124.26 3a8i n VAL 47 Ca 0.12 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3a8i n VAL 47 Cb 0.46 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 3a8i n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a8i n GLY 48 N 1.66 2.86 3.75 2.92 0.00 0.42 -5.01 105.19 111.80 3a8i n GLY 48 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3a8i n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a8i s ALA 49 N -1.34 2.37 -0.07 4.61 0.00 -0.96 -4.58 121.76 121.78 3a8i s ALA 49 Ca 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 3a8i s ALA 49 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 3a8i s ALA 49 CO 0.00 -1.44 -0.01 0.99 0.00 0.00 0.00 175.76 175.30 3a8i s THR 50 N -2.20 4.22 0.02 0.00 2.01 -1.26 -2.05 115.64 116.38 3a8i s THR 50 Ca 0.70 -0.32 -0.05 0.00 0.31 0.00 0.00 61.69 62.32 3a8i s THR 50 Cb -0.23 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 3a8i s THR 50 CO 0.42 0.57 0.08 0.68 -0.69 0.00 0.00 174.62 175.68 3a8i s VAL 51 N -0.90 0.11 -0.02 3.82 -7.23 -0.86 -5.03 120.40 110.28 3a8i s VAL 51 Ca 0.14 -0.88 -0.07 0.00 -1.81 0.00 0.00 61.98 59.36 3a8i s VAL 51 Cb -0.11 -0.53 -0.05 0.00 0.56 0.00 0.00 36.38 36.25 3a8i s VAL 51 CO 0.03 -0.48 0.25 -0.44 -0.31 0.00 0.00 175.10 174.15 3a8i s SER 52 N -1.63 6.50 -0.04 4.85 0.01 -1.26 -2.37 113.70 119.76 3a8i s SER 52 Ca -0.12 0.57 -0.36 0.00 1.31 0.00 0.00 55.95 57.35 3a8i s SER 52 Cb -0.06 -2.09 -0.18 0.00 0.21 0.00 0.00 66.02 63.90 3a8i s SER 52 CO -0.01 0.29 0.98 0.00 0.41 0.00 0.00 173.24 174.91 3a8i n ALA 53 N 1.32 -3.13 -0.43 1.44 0.00 -1.17 -0.91 120.51 117.63 3a8i n ALA 53 Ca -0.13 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3a8i n ALA 53 Cb 0.53 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3a8i n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8i n GLY 54 N 1.50 1.67 3.74 0.00 0.00 0.23 -4.96 105.19 107.37 3a8i n GLY 54 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3a8i n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a8i s ASP 55 N -3.31 4.13 -0.53 1.61 1.11 -0.08 -4.75 116.67 114.83 3a8i s ASP 55 Ca 0.00 1.95 -0.10 0.00 0.18 0.00 0.00 52.55 54.59 3a8i s ASP 55 Cb 0.00 -2.54 0.14 0.00 1.07 0.00 0.00 42.92 41.59 3a8i s ASP 55 CO 0.00 -2.29 0.42 -0.62 1.18 0.00 0.00 175.17 173.85 3a8i s ASP 56 N -3.09 5.81 0.00 0.27 -1.08 -1.26 -0.50 116.67 116.82 3a8i s ASP 56 Ca 0.64 -2.09 0.00 0.00 -0.52 0.00 0.00 52.55 50.57 3a8i s ASP 56 Cb -0.19 -2.03 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 3a8i s ASP 56 CO 0.55 -0.66 0.60 0.00 0.52 0.00 0.00 175.17 176.18 3a8i s ALA 58 N -0.20 -1.66 -0.08 0.00 0.00 -1.23 -3.78 121.76 114.81 3a8i s ALA 58 Ca 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.35 3a8i s ALA 58 Cb 0.00 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.77 3a8i s ALA 58 CO 0.00 -0.87 0.20 0.08 0.00 0.00 0.00 175.76 175.17 3a8i s VAL 59 N -3.37 -0.01 -0.12 0.00 1.01 -1.02 -1.29 120.40 115.60 3a8i s VAL 59 Ca 0.08 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.12 3a8i s VAL 59 Cb -0.02 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.08 3a8i s VAL 59 CO -0.04 0.01 -0.20 0.00 0.00 0.00 0.00 175.10 174.88 3a8i s ALA 60 N 0.35 2.04 -0.16 5.51 0.00 -0.45 0.94 121.76 130.00 3a8i s ALA 60 Ca -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 3a8i s ALA 60 Cb -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 3a8i s ALA 60 CO -0.01 0.02 -0.12 -1.21 0.00 0.00 0.00 175.76 174.43 3a8i s GLU 61 N 0.78 3.34 0.60 0.00 2.02 0.58 -0.02 118.70 126.01 3a8i s GLU 61 Ca -0.09 -0.69 0.10 0.00 0.02 0.00 0.00 54.97 54.31 3a8i s GLU 61 Cb -0.16 -2.71 0.10 0.00 0.10 0.00 0.00 34.13 31.46 3a8i s GLU 61 CO 0.00 0.07 0.83 -1.54 0.02 0.00 0.00 175.26 174.65 3a8i s SER 62 N 0.72 4.99 0.00 -0.19 1.04 -1.26 -1.15 113.70 117.85 3a8i s SER 62 Ca -0.05 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.46 3a8i s SER 62 Cb -0.15 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3a8i s SER 62 CO 0.02 -1.45 0.00 0.52 0.98 0.00 0.00 173.24 173.31 3a8i n VAL 63 N -2.32 0.00 -1.56 5.02 0.31 -1.23 -4.73 118.33 113.82 3a8i n VAL 63 Ca 0.17 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.20 3a8i n VAL 63 Cb 0.62 -0.16 0.19 0.00 -0.91 0.00 0.00 33.84 33.58 3a8i n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a8i s ALA 65 N -1.07 1.60 -0.17 3.52 0.00 -1.26 -5.15 121.76 119.24 3a8i s ALA 65 Ca 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 3a8i s ALA 65 Cb 0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 3a8i s ALA 65 CO 0.00 -2.76 -0.07 0.00 0.00 0.00 0.00 175.76 172.94 3a8i s ALA 66 N -3.44 2.82 -0.05 0.00 0.00 -1.26 -4.36 121.76 115.46 3a8i s ALA 66 Ca 0.70 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.74 3a8i s ALA 66 Cb -0.09 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.54 3a8i s ALA 66 CO 0.54 0.01 -0.15 -1.54 0.00 0.00 0.00 175.76 174.62 3a8i s SER 67 N 0.74 1.93 0.39 0.00 1.04 0.97 -4.96 113.70 113.82 3a8i s SER 67 Ca -0.03 -0.32 -0.27 0.00 0.48 0.00 0.00 55.95 55.81 3a8i s SER 67 Cb -0.15 -0.64 -0.10 0.00 0.10 0.00 0.00 66.02 65.23 3a8i s SER 67 CO 0.02 0.11 1.39 -1.81 0.98 0.00 0.00 173.24 173.93 3a8i s ASP 68 N 0.24 6.31 -0.10 7.02 1.01 -1.26 -1.34 116.67 128.55 3a8i s ASP 68 Ca -0.07 2.85 -0.00 0.00 0.71 0.00 0.00 52.55 56.04 3a8i s ASP 68 Cb -0.12 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.13 3a8i s ASP 68 CO 0.03 -0.87 -0.08 -0.63 0.21 0.00 0.00 175.17 173.82 3a8i s ILE 69 N -1.18 3.56 -0.09 0.77 1.01 -0.41 -4.91 121.20 119.94 3a8i s ILE 69 Ca 0.55 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3a8i s ILE 69 Cb -0.42 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 3a8i s ILE 69 CO 0.56 0.56 -0.08 -0.31 0.00 0.00 0.00 174.94 175.67 3a8i s TYR 70 N -0.33 2.90 -0.02 3.97 2.02 -1.26 -2.36 117.35 122.26 3a8i s TYR 70 Ca 0.04 -0.18 -0.34 0.00 -0.37 0.00 0.00 57.07 56.23 3a8i s TYR 70 Cb -0.13 -1.77 -0.12 0.00 -0.40 0.00 0.00 41.96 39.55 3a8i s TYR 70 CO 0.02 0.15 1.82 0.00 -1.57 0.00 0.00 175.55 175.97 3a8i n ALA 71 N 2.70 1.05 0.24 3.71 0.00 0.35 -4.80 120.51 123.75 3a8i n ALA 71 Ca -0.18 0.32 0.12 0.00 0.00 0.00 0.00 53.44 53.70 3a8i n ALA 71 Cb 0.53 -2.48 0.14 0.00 0.00 0.00 0.00 19.45 17.64 3a8i n ALA 71 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3a8i h PRO 72 N 8.56 0.00 -4.55 0.00 0.13 -1.90 0.66 132.00 134.89 3a8i h PRO 72 Ca -0.48 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 3a8i h PRO 72 Cb 1.27 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.25 3a8i h PRO 72 CO 0.94 0.00 -0.63 0.14 -0.23 0.00 0.00 178.00 178.22 3a8i s VAL 73 N -3.24 0.03 0.23 1.56 -7.23 -1.26 -4.79 120.40 105.70 3a8i s VAL 73 Ca 0.05 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.10 3a8i s VAL 73 Cb 0.07 -2.39 -0.08 0.00 0.56 0.00 0.00 36.38 34.55 3a8i s VAL 73 CO 0.70 -0.12 0.63 -0.44 -0.31 0.00 0.00 175.10 175.56 3a8i s SER 74 N -3.13 6.79 0.00 4.85 0.01 -1.26 -3.06 113.70 117.90 3a8i s SER 74 Ca 0.35 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.75 3a8i s SER 74 Cb 0.07 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.99 3a8i s SER 74 CO 0.09 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.32 3a8i n GLY 75 N 0.22 -0.35 3.11 3.44 0.00 -1.00 -0.58 105.19 110.03 3a8i n GLY 75 Ca -0.01 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 3a8i n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a8i s GLU 76 N -2.00 2.10 -0.24 1.61 2.12 -0.93 -2.04 118.70 119.32 3a8i s GLU 76 Ca 0.00 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.44 3a8i s GLU 76 Cb 0.00 -1.70 -0.00 0.00 0.26 0.00 0.00 34.13 32.69 3a8i s GLU 76 CO 0.00 0.13 1.21 0.42 -0.54 0.00 0.00 175.26 176.48 3a8i s ILE 77 N 0.39 4.34 -0.54 -3.70 -1.09 -0.87 -1.51 121.20 118.23 3a8i s ILE 77 Ca -0.13 1.58 0.15 0.00 -2.23 0.00 0.00 60.65 60.02 3a8i s ILE 77 Cb -0.15 -4.16 -0.18 0.00 -1.58 0.00 0.00 42.46 36.38 3a8i s ILE 77 CO 0.05 -0.30 0.57 1.33 -1.23 0.00 0.00 174.94 175.36 3a8i n VAL 78 N 5.70 0.00 -3.62 2.92 0.24 -0.89 0.16 118.33 122.83 3a8i n VAL 78 Ca 0.14 -0.20 -0.16 0.00 -2.04 0.00 0.00 64.34 62.08 3a8i n VAL 78 Cb 0.46 0.78 -0.07 0.00 -1.47 0.00 0.00 33.84 33.54 3a8i n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a8i s ALA 79 N -2.60 -1.36 0.09 2.33 0.00 -1.23 -4.73 121.76 114.26 3a8i s ALA 79 Ca 0.03 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.92 3a8i s ALA 79 Cb 0.11 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3a8i s ALA 79 CO 0.63 -0.32 -0.08 0.14 0.00 0.00 0.00 175.76 176.13 3a8i s VAL 80 N -1.25 0.75 -0.83 0.00 -7.23 -1.26 -0.66 120.40 109.93 3a8i s VAL 80 Ca -0.12 -1.70 -0.20 0.00 -1.81 0.00 0.00 61.98 58.15 3a8i s VAL 80 Cb -0.02 -1.40 0.10 0.00 0.56 0.00 0.00 36.38 35.62 3a8i s VAL 80 CO 0.08 -0.69 1.08 0.21 -0.31 0.00 0.00 175.10 175.46 3a8i s ASN 81 N -2.61 6.45 0.48 4.85 2.47 -0.36 -4.89 114.94 121.34 3a8i s ASN 81 Ca 0.06 -1.63 0.31 0.00 0.42 0.00 0.00 52.86 52.02 3a8i s ASN 81 Cb 0.00 -2.41 1.20 0.00 -1.45 0.00 0.00 41.25 38.59 3a8i s ASN 81 CO -0.02 -1.22 1.90 0.44 -3.72 0.00 0.00 177.10 174.48 3a8i h ASP 82 N 9.15 0.00 0.20 -4.21 5.19 -1.94 -1.81 116.42 123.00 3a8i h ASP 82 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3a8i h ASP 82 Cb 1.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.55 3a8i h ASP 82 CO 1.15 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 177.27 3a8i n ALA 83 N -2.03 2.18 0.82 3.45 0.00 -1.26 -1.54 120.51 122.13 3a8i n ALA 83 Ca 0.01 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3a8i n ALA 83 Cb 0.31 -1.34 0.25 0.00 0.00 0.00 0.00 19.45 18.68 3a8i n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a8i n LEU 84 N -1.15 0.54 0.19 0.00 4.77 -0.68 -1.20 117.00 119.47 3a8i n LEU 84 Ca 0.13 0.14 0.04 0.00 -0.03 0.00 0.00 56.01 56.29 3a8i n LEU 84 Cb 0.12 -0.25 0.39 0.00 -2.33 0.00 0.00 43.42 41.35 3a8i n LEU 84 CO 0.14 0.04 0.73 0.28 -1.33 0.00 0.00 177.39 177.25 3a8i h SER 85 N 0.00 0.00 0.00 -1.43 0.02 -1.44 -3.04 113.55 107.67 3a8i h SER 85 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 3a8i h SER 85 Cb 0.60 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 3a8i h SER 85 CO 0.00 0.36 -1.65 0.47 -1.14 0.00 0.00 176.83 174.86 3a8i n ASP 86 N -3.91 2.77 -2.97 3.07 8.00 -1.23 -4.74 116.55 117.54 3a8i n ASP 86 Ca -0.02 -0.02 -0.24 0.00 0.71 0.00 0.00 54.79 55.23 3a8i n ASP 86 Cb 0.42 0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 42.00 3a8i n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3a8i n SER 87 N -2.47 3.30 0.31 -2.24 7.64 -0.34 -4.92 113.62 114.90 3a8i n SER 87 Ca -0.17 -3.45 0.20 0.00 1.01 0.00 0.00 58.87 56.46 3a8i n SER 87 Cb 0.79 -0.57 0.97 0.00 -1.01 0.00 0.00 64.21 64.39 3a8i n SER 87 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3a8i h PRO 88 N 2.96 0.00 0.00 1.43 0.13 -1.74 -2.31 132.00 132.48 3a8i h PRO 88 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3a8i h PRO 88 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3a8i h PRO 88 CO 0.71 0.01 0.35 1.05 -0.23 0.00 0.00 178.00 179.89 3a8i h GLU 89 N 0.00 0.00 -0.27 0.86 9.09 -1.90 -2.80 114.58 119.57 3a8i h GLU 89 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 3a8i h GLU 89 Cb 0.24 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.32 3a8i h GLU 89 CO 0.00 0.00 0.16 -0.07 0.05 0.00 0.00 179.01 179.15 3a8i h LEU 90 N 0.00 0.31 -1.28 3.06 3.38 -1.77 -0.32 115.31 118.69 3a8i h LEU 90 Ca 0.00 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.11 3a8i h LEU 90 Cb 0.69 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 3a8i h LEU 90 CO 0.00 0.24 0.58 0.58 0.09 0.00 0.00 178.44 179.93 3a8i h VAL 91 N 0.36 0.80 0.01 1.22 2.07 -1.71 0.78 116.25 119.79 3a8i h VAL 91 Ca 0.10 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3a8i h VAL 91 Cb -0.01 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 3a8i h VAL 91 CO -0.02 0.12 -0.04 0.78 0.02 0.00 0.00 177.57 178.43 3a8i h ASN 92 N 0.67 0.03 0.95 0.57 4.21 -1.33 -3.25 115.58 117.43 3a8i h ASN 92 Ca 0.47 -0.93 -0.21 0.00 1.21 0.00 0.00 56.30 56.84 3a8i h ASN 92 Cb 0.79 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.95 3a8i h ASN 92 CO -0.22 0.95 -1.09 0.77 -1.29 0.00 0.00 177.43 176.55 3a8i h SER 93 N -0.89 0.00 -1.83 5.81 4.64 -0.89 -3.39 113.55 117.00 3a8i h SER 93 Ca -0.01 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.84 3a8i h SER 93 Cb 0.96 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.65 3a8i h SER 93 CO 0.01 0.93 -1.13 -0.62 -0.87 0.00 0.00 176.83 175.15 3a8i n GLU 94 N -3.26 1.32 0.26 4.77 1.02 0.27 -4.97 120.64 120.05 3a8i n GLU 94 Ca -0.03 -3.55 0.11 0.00 -0.02 0.00 0.00 57.16 53.67 3a8i n GLU 94 Cb 0.93 -1.70 0.73 0.00 -0.02 0.00 0.00 31.44 31.39 3a8i n GLU 94 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3a8i h PRO 95 N 2.99 0.00 -0.03 3.49 0.13 -1.59 0.64 132.00 137.63 3a8i h PRO 95 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3a8i h PRO 95 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3a8i h PRO 95 CO 0.54 0.09 0.00 0.66 -0.23 0.00 0.00 178.00 179.06 3a8i n TYR 96 N -3.92 0.01 0.00 1.56 4.01 -1.26 -4.12 117.16 113.43 3a8i n TYR 96 Ca -0.02 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3a8i n TYR 96 Cb 0.18 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 3a8i n TYR 96 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a8i n ALA 97 N 1.34 0.00 0.30 -0.72 0.00 -0.14 -4.85 120.51 116.45 3a8i n ALA 97 Ca 0.14 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.76 3a8i n ALA 97 Cb 0.60 0.00 1.01 0.00 0.00 0.00 0.00 19.45 21.06 3a8i n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3a8i h GLY 98 N 0.00 0.00 0.30 0.00 0.00 -1.86 -2.30 103.07 99.21 3a8i h GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a8i h GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3a8i n GLY 99 N -1.25 -0.95 3.51 4.60 0.00 0.21 -4.81 105.19 106.50 3a8i n GLY 99 Ca -0.02 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3a8i n GLY 99 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3a8i n TRP 100 N -0.65 -0.53 -0.03 1.61 4.27 -0.87 -4.44 117.44 116.80 3a8i n TRP 100 Ca 0.07 0.31 -0.06 0.00 -3.89 0.00 0.00 57.50 53.94 3a8i n TRP 100 Cb 0.03 -1.90 -0.02 0.00 -1.36 0.00 0.00 31.31 28.05 3a8i n TRP 100 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 3a8i n ILE 101 N -3.23 0.34 -3.91 -1.67 5.41 0.35 -4.66 119.36 111.98 3a8i n ILE 101 Ca 0.09 -0.10 -0.09 0.00 1.00 0.00 0.00 62.75 63.65 3a8i n ILE 101 Cb 0.52 -1.24 -0.06 0.00 -0.71 0.00 0.00 39.64 38.15 3a8i n ILE 101 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3a8i s PHE 102 N -2.11 0.27 0.01 1.39 -0.71 -0.30 -1.22 117.98 115.30 3a8i s PHE 102 Ca -0.08 -0.62 0.08 0.00 -1.04 0.00 0.00 56.93 55.26 3a8i s PHE 102 Cb 0.03 0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.91 3a8i s PHE 102 CO 0.12 -0.81 -0.23 0.15 -1.34 0.00 0.00 175.22 173.10 3a8i s LYS 103 N -3.95 1.73 0.01 1.99 1.02 0.17 0.12 119.74 120.83 3a8i s LYS 103 Ca 0.16 -0.91 0.02 0.00 0.02 0.00 0.00 55.97 55.26 3a8i s LYS 103 Cb 0.02 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.55 3a8i s LYS 103 CO 0.01 0.47 -0.06 -1.50 -0.92 0.00 0.00 175.35 173.35 3a8i s ILE 104 N -0.66 0.47 -0.34 2.17 2.07 0.17 -2.10 121.20 122.97 3a8i s ILE 104 Ca 0.09 -0.57 -0.11 0.00 -1.41 0.00 0.00 60.65 58.66 3a8i s ILE 104 Cb -0.09 -0.46 0.01 0.00 0.13 0.00 0.00 42.46 42.05 3a8i s ILE 104 CO 0.00 -0.08 0.19 -0.75 -1.91 0.00 0.00 174.94 172.39 3a8i s LYS 105 N -0.71 3.12 0.27 3.50 2.20 -0.57 0.64 119.74 128.20 3a8i s LYS 105 Ca -0.03 -0.88 -0.29 0.00 -0.36 0.00 0.00 55.97 54.41 3a8i s LYS 105 Cb -0.05 -3.68 -0.09 0.00 -1.51 0.00 0.00 37.83 32.50 3a8i s LYS 105 CO 0.00 -0.55 1.14 0.00 -0.36 0.00 0.00 175.35 175.58 3a8i s ALA 106 N 1.60 3.42 -0.44 3.13 0.00 -1.26 -2.18 121.76 126.04 3a8i s ALA 106 Ca 0.04 0.96 0.04 0.00 0.00 0.00 0.00 51.96 52.99 3a8i s ALA 106 Cb -0.18 -3.36 0.46 0.00 0.00 0.00 0.00 23.12 20.03 3a8i s ALA 106 CO 0.07 -0.26 1.52 -1.13 0.00 0.00 0.00 175.76 175.96 3a8i n SER 107 N 1.35 5.99 -3.15 0.00 3.41 0.26 -4.91 113.62 116.58 3a8i n SER 107 Ca -0.00 -3.77 0.06 0.00 -0.26 0.00 0.00 58.87 54.90 3a8i n SER 107 Cb 0.44 -0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 3a8i n SER 107 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a8i s ASP 108 N -2.91 -0.26 0.20 4.04 3.68 -1.26 -4.86 116.67 115.29 3a8i s ASP 108 Ca 0.56 0.06 -0.01 0.00 2.13 0.00 0.00 52.55 55.30 3a8i s ASP 108 Cb 0.45 1.18 0.12 0.00 -1.45 0.00 0.00 42.92 43.22 3a8i s ASP 108 CO 0.02 -0.05 1.49 -0.08 0.13 0.00 0.00 175.17 176.69 3a8i h GLU 109 N 7.40 0.45 -0.65 4.34 4.22 -1.97 -3.07 114.58 125.29 3a8i h GLU 109 Ca -0.10 -0.31 -0.06 0.00 0.08 0.00 0.00 59.36 58.96 3a8i h GLU 109 Cb 1.17 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 3a8i h GLU 109 CO -0.14 0.92 0.16 0.66 -2.18 0.00 0.00 179.01 178.43 3a8i h SER 110 N 0.33 0.97 0.13 1.04 4.64 -1.99 -1.42 113.55 117.25 3a8i h SER 110 Ca -0.01 -0.20 0.02 0.00 -0.47 0.00 0.00 61.79 61.13 3a8i h SER 110 Cb 1.16 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.95 3a8i h SER 110 CO 0.11 0.94 -0.40 -0.33 -0.87 0.00 0.00 176.83 176.27 3a8i h GLU 111 N 0.98 -0.62 -0.94 4.77 5.08 -1.99 -2.26 114.58 119.61 3a8i h GLU 111 Ca 0.21 0.04 0.27 0.00 -1.00 0.00 0.00 59.36 58.88 3a8i h GLU 111 Cb 0.35 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 29.60 3a8i h GLU 111 CO 0.00 -0.41 0.42 -0.07 -1.00 0.00 0.00 179.01 177.94 3a8i h LEU 112 N -0.65 0.30 -1.24 1.33 3.38 -1.40 0.03 115.31 117.06 3a8i h LEU 112 Ca 0.02 0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3a8i h LEU 112 Cb 0.67 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3a8i h LEU 112 CO -0.23 -0.11 -0.25 -0.33 0.09 0.00 0.00 178.44 177.61 3a8i h GLU 113 N 0.31 0.00 0.00 1.13 5.08 -0.71 -3.18 114.58 117.21 3a8i h GLU 113 Ca 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.00 3a8i h GLU 113 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3a8i h GLU 113 CO -0.61 0.25 -1.01 0.45 -1.00 0.00 0.00 179.01 177.10 3a8i n SER 114 N -3.51 0.70 -4.43 1.42 2.88 -0.04 -4.96 113.62 105.68 3a8i n SER 114 Ca -0.00 0.14 -0.42 0.00 -1.33 0.00 0.00 58.87 57.25 3a8i n SER 114 Cb 0.41 0.58 0.01 0.00 -0.75 0.00 0.00 64.21 64.46 3a8i n SER 114 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3a8i n LEU 115 N -2.36 -0.52 -4.75 2.46 4.77 -0.99 -4.92 117.00 110.69 3a8i n LEU 115 Ca 0.01 0.89 -0.40 0.00 -0.03 0.00 0.00 56.01 56.48 3a8i n LEU 115 Cb 0.50 -1.07 -0.05 0.00 -2.33 0.00 0.00 43.42 40.47 3a8i n LEU 115 CO 0.40 -3.12 0.60 -0.76 -1.33 0.00 0.00 177.39 173.18 3a8i s LEU 116 N 2.20 4.57 0.89 2.23 1.02 0.12 -4.79 118.68 124.91 3a8i s LEU 116 Ca 0.63 1.78 -0.13 0.00 0.02 0.00 0.00 54.13 56.43 3a8i s LEU 116 Cb -0.61 -3.49 0.13 0.00 0.02 0.00 0.00 46.19 42.24 3a8i s LEU 116 CO 0.59 0.09 1.17 1.51 0.02 0.00 0.00 176.35 179.73 3a8i s ASP 117 N -0.70 3.75 0.13 2.29 -4.77 -1.26 0.71 116.67 116.82 3a8i s ASP 117 Ca 0.41 0.82 -0.31 0.00 -3.30 0.00 0.00 52.55 50.18 3a8i s ASP 117 Cb -0.24 -1.30 -0.07 0.00 -1.09 0.00 0.00 42.92 40.22 3a8i s ASP 117 CO 0.29 -2.39 1.56 0.00 0.70 0.00 0.00 175.17 175.34 3a8i h ALA 118 N -1.39 -0.67 -0.76 2.11 0.00 -1.73 -0.89 119.26 115.94 3a8i h ALA 118 Ca -0.48 0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.59 3a8i h ALA 118 Cb 1.32 0.96 -0.11 0.00 0.00 0.00 0.00 17.79 19.97 3a8i h ALA 118 CO 0.60 -0.98 0.22 1.79 0.00 0.00 0.00 179.25 180.88 3a8i h THR 119 N -0.44 0.53 0.00 0.00 1.35 -1.93 -0.59 112.91 111.82 3a8i h THR 119 Ca 0.08 -0.11 -0.08 0.00 -0.55 0.00 0.00 66.41 65.76 3a8i h THR 119 Cb 0.62 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.23 3a8i h THR 119 CO -0.51 0.06 -0.39 0.00 -0.25 0.00 0.00 175.52 174.43 3a8i h ALA 120 N 1.61 1.33 -0.23 6.62 0.00 -1.56 -1.40 119.26 125.63 3a8i h ALA 120 Ca 0.43 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3a8i h ALA 120 Cb 0.73 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3a8i h ALA 120 CO -0.49 0.48 -0.38 -0.92 0.00 0.00 0.00 179.25 177.94 3a8i h TYR 121 N 0.00 0.82 -0.03 0.00 3.20 -0.18 -2.40 116.97 118.38 3a8i h TYR 121 Ca -0.00 -0.28 0.01 0.00 3.14 0.00 0.00 58.73 61.59 3a8i h TYR 121 Cb 0.70 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 3a8i h TYR 121 CO 0.00 1.04 0.04 0.93 -1.64 0.00 0.00 178.16 178.53 3a8i h GLU 122 N 0.37 0.00 -0.04 1.82 5.08 -0.78 -1.64 114.58 119.40 3a8i h GLU 122 Ca 0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3a8i h GLU 122 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3a8i h GLU 122 CO 0.09 0.00 -0.12 0.00 -1.00 0.00 0.00 179.01 177.97 3a8i h ALA 123 N 1.96 0.07 -0.31 3.43 0.00 -0.95 -2.54 119.26 120.93 3a8i h ALA 123 Ca 0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 3a8i h ALA 123 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3a8i h ALA 123 CO -0.00 -0.03 -0.13 1.25 0.00 0.00 0.00 179.25 180.34 3a8i h LEU 124 N -0.40 0.51 0.39 0.00 5.85 -0.83 0.38 115.31 121.20 3a8i h LEU 124 Ca -0.00 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3a8i h LEU 124 Cb 0.75 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3a8i h LEU 124 CO 0.03 0.68 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.55 3a8i h LEU 125 N 0.49 -0.44 -1.16 2.25 3.38 -1.45 -3.18 115.31 115.19 3a8i h LEU 125 Ca 0.09 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3a8i h LEU 125 Cb 0.52 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3a8i h LEU 125 CO 0.03 -0.23 -0.25 1.05 0.09 0.00 0.00 178.44 179.14 3a8i h GLU 126 N -0.63 0.00 -0.67 1.13 4.11 -1.40 -3.22 114.58 113.90 3a8i h GLU 126 Ca -0.05 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.51 3a8i h GLU 126 Cb 0.46 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.58 3a8i h GLU 126 CO 0.09 0.25 -0.21 0.22 0.07 0.00 0.00 179.01 179.42 3a8i h ASP 127 N 0.00 -0.76 -0.01 3.06 3.58 -0.89 -3.51 116.42 117.88 3a8i h ASP 127 Ca -0.00 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3a8i h ASP 127 Cb 0.73 0.46 0.00 0.00 1.72 0.00 0.00 39.33 42.25 3a8i h ASP 127 CO 0.03 -0.25 0.00 -0.62 -2.88 0.00 0.00 179.24 175.53