#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8i h ASN 2 N 0.00 0.03 -2.48 4.04 4.21 -2.05 -3.35 115.58 115.97 3a8i h ASN 2 Ca 0.00 -0.00 -0.57 0.00 1.21 0.00 0.00 56.30 56.94 3a8i h ASN 2 Cb 0.00 -0.01 -0.38 0.00 -1.12 0.00 0.00 38.32 36.81 3a8i h ASN 2 CO 0.00 0.18 -0.87 -0.69 -1.29 0.00 0.00 177.43 174.76 3a8i s VAL 3 N -4.71 0.15 0.62 2.81 1.01 -1.26 -4.45 120.40 114.57 3a8i s VAL 3 Ca -0.04 -1.90 -0.18 0.00 0.00 0.00 0.00 61.98 59.86 3a8i s VAL 3 Cb 0.16 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 3a8i s VAL 3 CO 0.70 -1.03 0.85 -2.65 0.00 0.00 0.00 175.10 172.97 3a8i n PRO 4 N 3.74 0.73 0.01 2.72 -0.02 -1.26 -4.91 135.00 136.01 3a8i n PRO 4 Ca 0.17 0.29 -0.12 0.00 -2.02 0.00 0.00 63.50 61.81 3a8i n PRO 4 Cb 0.40 -2.06 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 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 0.28 0.01 0.00 3.55 0.00 -1.96 -3.29 119.26 117.84 3a8i h ALA 5 Ca -0.48 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3a8i h ALA 5 Cb 1.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3a8i h ALA 5 CO 0.49 -0.36 0.00 -0.85 0.00 0.00 0.00 179.25 178.53 3a8i n GLU 6 N -4.96 0.27 -2.90 0.00 0.00 -1.26 -4.27 120.64 107.51 3a8i n GLU 6 Ca -0.08 0.10 -0.27 0.00 0.00 0.00 0.00 57.16 56.92 3a8i n GLU 6 Cb 0.14 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.07 3a8i n GLU 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3a8i s LEU 7 N -2.60 3.78 0.30 -1.84 1.43 -1.24 -4.89 118.68 113.62 3a8i s LEU 7 Ca 0.19 0.80 0.06 0.00 -1.03 0.00 0.00 54.13 54.15 3a8i s LEU 7 Cb 0.14 -3.72 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 3a8i s LEU 7 CO 0.31 -0.46 0.43 -0.54 0.23 0.00 0.00 176.35 176.32 3a8i s LYS 8 N -4.46 3.23 -0.04 1.70 -0.14 -0.55 -3.36 119.74 116.12 3a8i s LYS 8 Ca 0.45 -0.93 -0.07 0.00 -1.36 0.00 0.00 55.97 54.07 3a8i s LYS 8 Cb -0.10 -2.84 0.01 0.00 -1.68 0.00 0.00 37.83 33.22 3a8i s LYS 8 CO 0.40 0.19 0.17 0.71 -0.76 0.00 0.00 175.35 176.06 3a8i s TYR 9 N -2.11 -0.10 0.10 3.18 2.02 0.17 -1.79 117.35 118.83 3a8i s TYR 9 Ca 0.41 0.22 0.01 0.00 -0.37 0.00 0.00 57.07 57.34 3a8i s TYR 9 Cb -0.09 0.02 0.01 0.00 -0.40 0.00 0.00 41.96 41.50 3a8i s TYR 9 CO 0.30 -0.18 0.07 0.45 -1.57 0.00 0.00 175.55 174.62 3a8i n SER 10 N 2.31 1.46 -2.74 2.29 2.88 -0.00 0.15 113.62 119.96 3a8i n SER 10 Ca -0.17 -1.37 -0.03 0.00 -1.33 0.00 0.00 58.87 55.97 3a8i n SER 10 Cb 0.57 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.11 3a8i n SER 10 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3a8i n LYS 11 N -0.68 1.45 0.00 -1.46 -0.00 -1.26 -3.06 118.16 113.16 3a8i n LYS 11 Ca -0.01 -2.61 0.00 0.00 -0.00 0.00 0.00 58.31 55.69 3a8i n LYS 11 Cb 0.12 -0.77 0.00 0.00 -0.00 0.00 0.00 35.03 34.38 3a8i n LYS 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3a8i n GLU 12 N -0.76 0.00 -3.57 -1.58 4.71 -1.26 -5.04 120.64 113.13 3a8i n GLU 12 Ca -0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 56.91 3a8i n GLU 12 Cb 0.83 0.00 0.08 0.00 -1.01 0.00 0.00 31.44 31.34 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 0.00 -2.80 -4.24 -0.32 8.25 -1.17 -4.93 115.22 110.00 3a8i n HIS 13 Ca 0.00 1.00 -0.23 0.00 -0.26 0.00 0.00 57.72 58.23 3a8i n HIS 13 Cb 0.00 -5.00 -0.07 0.00 1.12 0.00 0.00 29.99 26.04 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 -6.22 2.45 0.28 -0.41 2.02 -1.25 -1.23 118.70 114.34 3a8i s GLU 14 Ca 0.53 -1.30 0.10 0.00 0.02 0.00 0.00 54.97 54.32 3a8i s GLU 14 Cb -0.23 -2.27 -0.05 0.00 0.10 0.00 0.00 34.13 31.68 3a8i s GLU 14 CO 0.72 0.38 -0.08 1.67 0.02 0.00 0.00 175.26 177.98 3a8i s TRP 15 N -2.22 2.54 -0.02 1.61 1.48 -0.80 -0.82 118.94 120.71 3a8i s TRP 15 Ca 0.31 -0.27 0.00 0.00 -1.06 0.00 0.00 56.10 55.08 3a8i s TRP 15 Cb -0.07 -1.13 0.02 0.00 -1.16 0.00 0.00 33.47 31.12 3a8i s TRP 15 CO 0.21 0.65 0.01 -0.51 -4.06 0.00 0.00 176.95 173.24 3a8i s LEU 16 N -3.62 1.38 -0.14 -4.66 1.02 -0.74 -2.86 118.68 109.07 3a8i s LEU 16 Ca 0.31 -0.00 0.01 0.00 0.02 0.00 0.00 54.13 54.47 3a8i s LEU 16 Cb -0.06 -0.13 -0.00 0.00 0.02 0.00 0.00 46.19 46.02 3a8i s LEU 16 CO 0.18 -0.08 -0.17 -0.60 0.02 0.00 0.00 176.35 175.71 3a8i s ARG 17 N 0.73 3.21 -0.08 1.70 3.52 -0.14 -1.48 118.95 126.41 3a8i s ARG 17 Ca -0.07 -0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 54.47 3a8i s ARG 17 Cb -0.10 -2.56 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 3a8i s ARG 17 CO -0.02 0.08 1.13 0.21 -0.81 0.00 0.00 175.30 175.90 3a8i s LYS 18 N 0.64 4.37 0.56 5.12 2.20 -1.26 -0.74 119.74 130.63 3a8i s LYS 18 Ca -0.09 1.57 -0.06 0.00 -0.36 0.00 0.00 55.97 57.03 3a8i s LYS 18 Cb -0.16 -3.56 -0.00 0.00 -1.51 0.00 0.00 37.83 32.60 3a8i s LYS 18 CO 0.03 -0.42 0.87 -1.21 -0.36 0.00 0.00 175.35 174.26 3a8i s GLU 19 N 2.22 3.08 0.54 4.03 0.41 0.53 -4.96 118.70 124.55 3a8i s GLU 19 Ca 0.53 0.05 0.23 0.00 -0.41 0.00 0.00 54.97 55.37 3a8i s GLU 19 Cb -0.22 -2.29 1.39 0.00 -1.78 0.00 0.00 34.13 31.23 3a8i s GLU 19 CO 0.20 -0.58 2.07 0.00 -0.49 0.00 0.00 175.26 176.46 3a8i h ALA 20 N -0.08 2.22 -0.27 5.21 0.00 -1.95 -0.18 119.26 124.20 3a8i h ALA 20 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3a8i h ALA 20 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3a8i h ALA 20 CO 0.61 -0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.09 3a8i n ASP 21 N -4.35 1.67 0.00 0.00 5.75 -1.26 -4.91 116.55 113.45 3a8i n ASP 21 Ca 0.04 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 3a8i n ASP 21 Cb 0.38 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 0.86 2.42 3.69 6.12 0.00 -0.08 -5.05 105.19 113.16 3a8i n GLY 22 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.31 1.85 -0.07 2.61 -4.23 -1.26 -4.73 115.64 107.51 3a8i s THR 23 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 3a8i s THR 23 Cb 0.00 -2.60 -0.00 0.00 1.34 0.00 0.00 72.50 71.24 3a8i s THR 23 CO 0.00 0.00 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.55 3a8i s TYR 24 N -3.14 2.20 -0.06 3.99 1.51 0.26 -0.34 117.35 121.77 3a8i s TYR 24 Ca 0.68 -0.73 -0.17 0.00 -1.01 0.00 0.00 57.07 55.84 3a8i s TYR 24 Cb -0.13 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.20 3a8i s TYR 24 CO 0.56 -0.26 0.45 0.99 -1.11 0.00 0.00 175.55 176.17 3a8i s THR 25 N 0.09 5.09 0.01 -0.71 2.01 0.09 -0.42 115.64 121.80 3a8i s THR 25 Ca -0.09 0.91 0.05 0.00 0.31 0.00 0.00 61.69 62.88 3a8i s THR 25 Cb -0.14 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 3a8i s THR 25 CO 0.05 0.45 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.57 3a8i s VAL 26 N -0.20 1.34 0.14 3.82 1.01 0.61 -0.97 120.40 126.15 3a8i s VAL 26 Ca 0.25 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 3a8i s VAL 26 Cb -0.16 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.10 3a8i s VAL 26 CO 0.12 0.26 0.29 0.61 0.00 0.00 0.00 175.10 176.38 3a8i n GLY 27 N 2.36 1.60 3.87 4.51 0.00 -1.13 0.12 105.19 116.51 3a8i n GLY 27 Ca -0.16 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.66 3.83 0.63 -0.61 -4.36 -1.26 -1.90 121.20 114.87 3a8i s ILE 28 Ca 0.06 -1.32 -0.07 0.00 -0.26 0.00 0.00 60.65 59.06 3a8i s ILE 28 Cb -0.02 -3.27 0.02 0.00 1.25 0.00 0.00 42.46 40.44 3a8i s ILE 28 CO 0.04 -0.21 0.95 0.42 0.24 0.00 0.00 174.94 176.38 3a8i s THR 29 N -2.25 3.23 0.31 8.37 -4.23 -0.37 -4.65 115.64 116.06 3a8i s THR 29 Ca 0.40 -0.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.91 3a8i s THR 29 Cb -0.07 -3.32 0.30 0.00 1.34 0.00 0.00 72.50 70.75 3a8i s THR 29 CO 0.27 -0.34 1.87 -0.08 -0.54 0.00 0.00 174.62 175.80 3a8i h GLU 30 N -0.34 0.88 -0.35 3.99 4.22 -1.92 0.12 114.58 121.17 3a8i h GLU 30 Ca -0.45 -0.05 -0.08 0.00 0.08 0.00 0.00 59.36 58.85 3a8i h GLU 30 Cb 1.27 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3a8i h GLU 30 CO 0.61 0.58 -0.13 1.25 -2.18 0.00 0.00 179.01 179.14 3a8i h HIS 31 N 0.90 0.68 -0.24 0.92 2.76 -1.92 -0.36 115.15 117.89 3a8i h HIS 31 Ca 0.44 -0.12 -0.05 0.00 -2.20 0.00 0.00 60.37 58.45 3a8i h HIS 31 Cb 0.46 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 3a8i h HIS 31 CO -0.00 0.73 -0.03 0.00 -1.30 0.00 0.00 177.93 177.32 3a8i h ALA 32 N 1.29 0.33 -0.14 5.26 0.00 -1.19 -2.88 119.26 121.92 3a8i h ALA 32 Ca 0.10 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3a8i h ALA 32 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3a8i h ALA 32 CO 0.04 0.10 -0.30 -0.56 0.00 0.00 0.00 179.25 178.52 3a8i h GLN 33 N 0.20 0.26 -0.72 0.00 -0.00 -0.66 -1.43 115.11 112.75 3a8i h GLN 33 Ca 0.06 -0.10 -0.05 0.00 -0.00 0.00 0.00 58.65 58.56 3a8i h GLN 33 Cb 0.48 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.48 27.91 3a8i h GLN 33 CO 0.02 0.55 0.24 1.49 -0.00 0.00 0.00 178.83 181.13 3a8i h GLU 34 N 0.23 1.11 0.00 0.06 4.57 -0.99 -1.95 114.58 117.62 3a8i h GLU 34 Ca 0.03 -0.23 -0.09 0.00 -1.18 0.00 0.00 59.36 57.89 3a8i h GLU 34 Cb 0.66 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 3a8i h GLU 34 CO 0.05 0.94 -0.42 1.25 -1.18 0.00 0.00 179.01 179.65 3a8i h LEU 35 N 1.06 0.00 -0.17 1.64 7.12 -1.26 -3.10 115.31 120.60 3a8i h LEU 35 Ca 0.24 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 58.02 3a8i h LEU 35 Cb 0.28 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.42 3a8i h LEU 35 CO -0.01 0.42 -0.80 0.25 -0.13 0.00 0.00 178.44 178.17 3a8i h LEU 36 N 0.00 0.90 0.00 2.25 5.85 -0.63 -3.50 115.31 120.17 3a8i h LEU 36 Ca -0.00 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.11 3a8i h LEU 36 Cb 0.83 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3a8i h LEU 36 CO 0.05 1.40 0.00 0.61 -0.34 0.00 0.00 178.44 180.16 3a8i n GLY 37 N 0.72 -1.02 3.66 3.75 0.00 -0.79 -4.84 105.19 106.66 3a8i n GLY 37 Ca -0.07 -1.64 -0.50 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.03 2.61 -4.74 1.61 8.00 -1.26 -4.92 116.55 116.81 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 -1.29 -0.05 0.00 -0.02 0.00 0.00 41.12 39.76 3a8i n ASP 38 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3a8i s MET 39 N 1.96 4.57 -0.06 -1.24 1.75 -1.26 -3.30 119.30 121.72 3a8i s MET 39 Ca 0.87 1.19 0.10 0.00 -1.25 0.00 0.00 55.69 56.60 3a8i s MET 39 Cb -0.84 -3.35 -0.15 0.00 2.84 0.00 0.00 34.83 33.33 3a8i s MET 39 CO 0.49 0.30 0.14 1.33 -0.65 0.00 0.00 175.02 176.63 3a8i n VAL 40 N 2.63 0.39 -3.87 10.11 0.24 0.13 -4.09 118.33 123.87 3a8i n VAL 40 Ca -0.02 -0.36 -0.11 0.00 -2.04 0.00 0.00 64.34 61.81 3a8i n VAL 40 Cb 0.50 -0.27 -0.09 0.00 -1.47 0.00 0.00 33.84 32.50 3a8i n VAL 40 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3a8i s PHE 41 N -2.51 0.07 -0.02 6.34 0.08 -1.10 -4.82 117.98 116.03 3a8i s PHE 41 Ca -0.05 -0.24 0.03 0.00 0.12 0.00 0.00 56.93 56.80 3a8i s PHE 41 Cb 0.05 -0.06 -0.01 0.00 -0.57 0.00 0.00 43.02 42.44 3a8i s PHE 41 CO 0.46 -0.35 -0.12 0.54 -0.10 0.00 0.00 175.22 175.65 3a8i s VAL 42 N -2.02 0.95 -0.26 -0.44 0.11 -1.26 0.79 120.40 118.26 3a8i s VAL 42 Ca -0.10 -0.49 -0.07 0.00 -2.93 0.00 0.00 61.98 58.39 3a8i s VAL 42 Cb -0.04 -0.81 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 3a8i s VAL 42 CO -0.01 0.28 0.07 -1.81 -3.33 0.00 0.00 175.10 170.29 3a8i s ASP 43 N -0.12 5.09 0.20 3.54 1.01 0.14 -4.90 116.67 121.63 3a8i s ASP 43 Ca 0.02 -0.38 -0.05 0.00 0.71 0.00 0.00 52.55 52.85 3a8i s ASP 43 Cb -0.06 -1.90 -0.06 0.00 1.01 0.00 0.00 42.92 41.91 3a8i s ASP 43 CO 0.00 -0.09 0.45 -0.76 0.21 0.00 0.00 175.17 174.98 3a8i s LEU 44 N 1.57 4.19 1.09 1.23 1.43 -1.26 -1.13 118.68 125.81 3a8i s LEU 44 Ca 0.05 0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 53.64 3a8i s LEU 44 Cb -0.16 -3.41 0.23 0.00 0.03 0.00 0.00 46.19 42.89 3a8i s LEU 44 CO 0.03 -0.04 1.12 -2.16 0.23 0.00 0.00 176.35 175.53 3a8i s PRO 45 N -2.99 -0.31 0.14 1.29 0.04 -1.16 -4.93 135.00 127.08 3a8i s PRO 45 Ca 0.42 0.12 -0.26 0.00 0.04 0.00 0.00 61.00 61.32 3a8i s PRO 45 Cb -0.11 -1.69 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 3a8i s PRO 45 CO 0.26 -3.15 0.82 -1.21 0.04 0.00 0.00 177.00 173.76 3a8i s GLU 46 N -5.29 4.61 0.30 4.56 0.41 -1.26 -4.92 118.70 117.11 3a8i s GLU 46 Ca 0.69 1.22 -0.30 0.00 -0.41 0.00 0.00 54.97 56.17 3a8i s GLU 46 Cb -0.13 -3.30 -0.11 0.00 -1.78 0.00 0.00 34.13 28.81 3a8i s GLU 46 CO 0.56 0.46 1.59 0.08 -0.49 0.00 0.00 175.26 177.46 3a8i s VAL 47 N -0.79 2.07 0.00 2.63 1.01 -1.26 -1.73 120.40 122.33 3a8i s VAL 47 Ca 0.38 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3a8i s VAL 47 Cb -0.23 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3a8i s VAL 47 CO 0.27 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3a8i n GLY 48 N 2.03 1.15 3.72 4.51 0.00 0.46 -5.02 105.19 112.04 3a8i n GLY 48 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.52 3.71 -0.04 4.61 0.00 -0.71 -4.72 121.76 122.09 3a8i s ALA 49 Ca 0.00 1.30 -0.27 0.00 0.00 0.00 0.00 51.96 52.99 3a8i s ALA 49 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 3a8i s ALA 49 CO 0.00 -0.73 0.88 0.99 0.00 0.00 0.00 175.76 176.90 3a8i s THR 50 N 0.92 4.93 0.19 0.00 2.01 -1.26 -0.22 115.64 122.21 3a8i s THR 50 Ca 0.67 1.82 0.11 0.00 0.31 0.00 0.00 61.69 64.60 3a8i s THR 50 Cb -0.42 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 67.84 3a8i s THR 50 CO 0.33 0.18 -0.22 0.68 -0.69 0.00 0.00 174.62 174.89 3a8i s VAL 51 N 1.05 2.44 0.03 3.82 -7.23 -0.14 -4.99 120.40 115.37 3a8i s VAL 51 Ca 0.46 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 3a8i s VAL 51 Cb -0.19 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 3a8i s VAL 51 CO 0.23 -0.13 0.08 -0.44 -0.31 0.00 0.00 175.10 174.54 3a8i s SER 52 N -2.71 5.63 0.22 4.85 0.01 -1.26 -1.21 113.70 119.22 3a8i s SER 52 Ca 0.21 0.09 -0.31 0.00 1.31 0.00 0.00 55.95 57.25 3a8i s SER 52 Cb -0.08 -1.58 -0.15 0.00 0.21 0.00 0.00 66.02 64.42 3a8i s SER 52 CO 0.11 0.23 1.18 0.00 0.41 0.00 0.00 173.24 175.17 3a8i n ALA 53 N 0.89 -0.21 0.00 1.44 0.00 -1.25 -1.08 120.51 120.30 3a8i n ALA 53 Ca -0.11 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3a8i n ALA 53 Cb 0.52 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 1.86 3.05 3.78 0.00 0.00 -0.34 -4.94 105.19 108.58 3a8i n GLY 54 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.23 6.43 -0.49 1.61 1.01 -0.24 -4.65 116.67 119.10 3a8i s ASP 55 Ca 0.00 2.98 -0.27 0.00 0.71 0.00 0.00 52.55 55.97 3a8i s ASP 55 Cb 0.00 -2.66 0.03 0.00 1.01 0.00 0.00 42.92 41.30 3a8i s ASP 55 CO 0.00 -0.81 1.04 1.51 0.21 0.00 0.00 175.17 177.13 3a8i s ASP 56 N -0.20 6.52 -0.09 0.27 -4.77 -1.26 0.16 116.67 117.30 3a8i s ASP 56 Ca 0.52 0.20 0.14 0.00 -3.30 0.00 0.00 52.55 50.10 3a8i s ASP 56 Cb -0.45 -2.50 0.28 0.00 -1.09 0.00 0.00 42.92 39.15 3a8i s ASP 56 CO 0.61 -1.21 1.13 0.00 0.70 0.00 0.00 175.17 176.40 3a8i s ALA 58 N -1.62 -2.07 -0.05 0.00 0.00 -1.22 -2.98 121.76 113.83 3a8i s ALA 58 Ca 0.26 1.76 0.01 0.00 0.00 0.00 0.00 51.96 53.98 3a8i s ALA 58 Cb 0.25 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.43 3a8i s ALA 58 CO -0.04 -0.35 -0.05 0.08 0.00 0.00 0.00 175.76 175.40 3a8i s VAL 59 N -1.41 0.55 -0.17 0.00 1.01 -0.28 -0.96 120.40 119.14 3a8i s VAL 59 Ca 0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 3a8i s VAL 59 Cb -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 3a8i s VAL 59 CO -0.05 0.23 0.12 0.00 0.00 0.00 0.00 175.10 175.40 3a8i s ALA 60 N 0.94 3.68 -0.14 5.51 0.00 0.17 0.24 121.76 132.17 3a8i s ALA 60 Ca -0.11 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 3a8i s ALA 60 Cb -0.14 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 3a8i s ALA 60 CO -0.00 0.33 -0.05 -2.00 0.00 0.00 0.00 175.76 174.04 3a8i s GLU 61 N -0.14 3.48 0.53 0.00 2.12 0.24 -0.21 118.70 124.73 3a8i s GLU 61 Ca 0.10 -0.54 0.05 0.00 0.36 0.00 0.00 54.97 54.94 3a8i s GLU 61 Cb -0.12 -2.83 0.03 0.00 0.26 0.00 0.00 34.13 31.47 3a8i s GLU 61 CO 0.00 0.32 0.32 -1.54 -0.54 0.00 0.00 175.26 173.83 3a8i s SER 62 N 0.13 4.54 0.00 -1.70 1.04 -1.26 0.21 113.70 116.66 3a8i s SER 62 Ca -0.02 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.10 3a8i s SER 62 Cb -0.14 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3a8i s SER 62 CO 0.03 -1.04 0.00 0.52 0.98 0.00 0.00 173.24 173.73 3a8i n VAL 63 N -1.66 0.00 -1.11 5.02 0.31 -1.21 -4.73 118.33 114.95 3a8i n VAL 63 Ca -0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.00 3a8i n VAL 63 Cb 0.65 -0.27 0.19 0.00 -0.91 0.00 0.00 33.84 33.50 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 -1.18 0.79 -0.04 3.52 0.00 -1.26 -5.15 121.76 118.44 3a8i s ALA 65 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 3a8i s ALA 65 Cb 0.00 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 3a8i s ALA 65 CO 0.00 -2.96 0.27 0.00 0.00 0.00 0.00 175.76 173.06 3a8i s ALA 66 N -2.93 3.81 -0.11 0.00 0.00 -1.26 -4.47 121.76 116.80 3a8i s ALA 66 Ca 0.66 -0.49 -0.08 0.00 0.00 0.00 0.00 51.96 52.05 3a8i s ALA 66 Cb -0.19 -2.13 0.04 0.00 0.00 0.00 0.00 23.12 20.83 3a8i s ALA 66 CO 0.58 0.59 0.27 -1.54 0.00 0.00 0.00 175.76 175.66 3a8i s SER 67 N -1.26 -0.29 0.37 0.00 1.04 0.71 -4.98 113.70 109.29 3a8i s SER 67 Ca 0.22 0.56 -0.27 0.00 0.48 0.00 0.00 55.95 56.94 3a8i s SER 67 Cb -0.14 0.51 -0.09 0.00 0.10 0.00 0.00 66.02 66.40 3a8i s SER 67 CO 0.11 -0.13 1.22 -1.81 0.98 0.00 0.00 173.24 173.60 3a8i s ASP 68 N 0.69 6.63 -0.13 7.02 1.01 -1.26 -0.65 116.67 129.97 3a8i s ASP 68 Ca -0.04 2.47 0.01 0.00 0.71 0.00 0.00 52.55 55.70 3a8i s ASP 68 Cb -0.06 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.24 3a8i s ASP 68 CO -0.04 -0.61 -0.17 -0.63 0.21 0.00 0.00 175.17 173.93 3a8i s ILE 69 N -1.29 2.58 0.09 0.77 1.01 -0.13 -4.90 121.20 119.32 3a8i s ILE 69 Ca 0.54 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 60.41 3a8i s ILE 69 Cb -0.34 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3a8i s ILE 69 CO 0.44 0.53 0.06 -0.31 0.00 0.00 0.00 174.94 175.66 3a8i s TYR 70 N 0.58 3.12 0.03 3.97 2.02 -1.26 -1.99 117.35 123.81 3a8i s TYR 70 Ca -0.10 0.03 -0.30 0.00 -0.37 0.00 0.00 57.07 56.33 3a8i s TYR 70 Cb -0.16 -1.58 -0.07 0.00 -0.40 0.00 0.00 41.96 39.75 3a8i s TYR 70 CO 0.04 0.51 1.61 0.00 -1.57 0.00 0.00 175.55 176.13 3a8i s ALA 71 N -1.40 3.65 0.22 3.71 0.00 0.12 -4.89 121.76 123.17 3a8i s ALA 71 Ca 0.28 1.09 0.10 0.00 0.00 0.00 0.00 51.96 53.43 3a8i s ALA 71 Cb -0.12 -3.69 0.20 0.00 0.00 0.00 0.00 23.12 19.51 3a8i s ALA 71 CO 0.21 -1.14 1.52 -1.00 0.00 0.00 0.00 175.76 175.35 3a8i h PRO 72 N 8.52 0.00 -4.66 0.00 0.13 -1.91 -0.89 132.00 133.18 3a8i h PRO 72 Ca -0.41 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.49 3a8i h PRO 72 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 3a8i h PRO 72 CO 0.93 0.72 -0.69 0.14 -0.23 0.00 0.00 178.00 178.87 3a8i s VAL 73 N -3.34 0.66 0.29 1.56 -7.23 -1.26 -4.71 120.40 106.37 3a8i s VAL 73 Ca -0.00 -1.94 -0.28 0.00 -1.81 0.00 0.00 61.98 57.95 3a8i s VAL 73 Cb 0.12 -1.76 -0.09 0.00 0.56 0.00 0.00 36.38 35.20 3a8i s VAL 73 CO 0.78 -0.80 0.99 -0.44 -0.31 0.00 0.00 175.10 175.32 3a8i s SER 74 N -3.06 7.37 0.00 4.85 0.01 -1.26 -3.78 113.70 117.83 3a8i s SER 74 Ca 0.14 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.39 3a8i s SER 74 Cb 0.06 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3a8i s SER 74 CO -0.03 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.18 3a8i n GLY 75 N 1.01 -1.12 3.42 3.44 0.00 -0.35 -1.61 105.19 109.98 3a8i n GLY 75 Ca 0.00 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.53 2.79 -0.22 1.61 2.12 -0.31 -0.97 118.70 122.19 3a8i s GLU 76 Ca 0.00 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 54.32 3a8i s GLU 76 Cb 0.00 -2.43 -0.02 0.00 0.26 0.00 0.00 34.13 31.94 3a8i s GLU 76 CO 0.00 0.46 1.42 0.42 -0.54 0.00 0.00 175.26 177.03 3a8i s ILE 77 N -0.32 3.98 -0.10 -3.70 -1.09 0.69 -0.34 121.20 120.31 3a8i s ILE 77 Ca 0.03 1.14 0.20 0.00 -2.23 0.00 0.00 60.65 59.78 3a8i s ILE 77 Cb -0.13 -3.91 -0.29 0.00 -1.58 0.00 0.00 42.46 36.55 3a8i s ILE 77 CO 0.03 -0.30 0.35 1.33 -1.23 0.00 0.00 174.94 175.12 3a8i n VAL 78 N 6.00 0.60 -3.71 2.92 0.24 -0.13 -0.40 118.33 123.84 3a8i n VAL 78 Ca 0.16 -0.65 -0.11 0.00 -2.04 0.00 0.00 64.34 61.70 3a8i n VAL 78 Cb 0.45 -0.22 -0.06 0.00 -1.47 0.00 0.00 33.84 32.55 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 -3.09 -0.74 0.10 2.33 0.00 -1.18 -4.81 121.76 114.36 3a8i s ALA 79 Ca -0.08 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 51.83 3a8i s ALA 79 Cb 0.11 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 3a8i s ALA 79 CO 0.87 -0.54 -0.13 0.14 0.00 0.00 0.00 175.76 176.11 3a8i s VAL 80 N -3.35 1.14 -0.93 0.00 -7.23 -1.26 -1.06 120.40 107.71 3a8i s VAL 80 Ca 0.00 -1.56 -0.24 0.00 -1.81 0.00 0.00 61.98 58.37 3a8i s VAL 80 Cb 0.02 -1.33 0.04 0.00 0.56 0.00 0.00 36.38 35.67 3a8i s VAL 80 CO -0.08 -0.40 1.39 0.21 -0.31 0.00 0.00 175.10 175.91 3a8i s ASN 81 N -2.22 6.39 0.20 4.85 3.84 0.02 -4.84 114.94 123.17 3a8i s ASN 81 Ca 0.04 -1.13 0.22 0.00 0.21 0.00 0.00 52.86 52.20 3a8i s ASN 81 Cb -0.06 -2.57 0.90 0.00 -0.55 0.00 0.00 41.25 38.98 3a8i s ASN 81 CO 0.02 -1.61 1.66 0.47 -2.79 0.00 0.00 177.10 174.85 3a8i n ASP 82 N 9.03 0.53 0.28 -4.21 8.00 -1.26 -1.65 116.55 127.26 3a8i n ASP 82 Ca 0.23 0.63 0.19 0.00 0.71 0.00 0.00 54.79 56.55 3a8i n ASP 82 Cb 0.50 -0.74 0.91 0.00 -0.02 0.00 0.00 41.12 41.77 3a8i n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a8i h ALA 83 N 2.32 1.00 0.00 2.24 0.00 -1.95 -3.02 119.26 119.86 3a8i h ALA 83 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3a8i h ALA 83 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3a8i h ALA 83 CO 0.00 0.00 -0.08 -0.07 0.00 0.00 0.00 179.25 179.10 3a8i h LEU 84 N 0.00 0.00 -0.81 0.00 3.38 -1.56 -1.26 115.31 115.06 3a8i h LEU 84 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3a8i h LEU 84 Cb 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 3a8i h LEU 84 CO 0.00 0.08 0.50 0.28 0.09 0.00 0.00 178.44 179.40 3a8i h SER 85 N 0.00 0.79 0.11 -0.43 0.02 -1.74 -1.63 113.55 110.67 3a8i h SER 85 Ca -0.00 0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.75 3a8i h SER 85 Cb 0.80 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 3a8i h SER 85 CO 0.01 0.52 -2.10 0.47 -1.14 0.00 0.00 176.83 174.58 3a8i n ASP 86 N -4.64 0.14 -3.08 3.07 8.00 -1.21 -4.71 116.55 114.12 3a8i n ASP 86 Ca 0.11 0.06 -0.22 0.00 0.71 0.00 0.00 54.79 55.45 3a8i n ASP 86 Cb 0.16 1.21 -0.03 0.00 -0.02 0.00 0.00 41.12 42.43 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 -2.60 2.37 0.29 -2.24 7.64 -0.48 -4.90 113.62 113.70 3a8i n SER 87 Ca -0.19 -3.29 0.18 0.00 1.01 0.00 0.00 58.87 56.57 3a8i n SER 87 Cb 0.91 -0.59 0.83 0.00 -1.01 0.00 0.00 64.21 64.34 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 2.99 0.00 0.00 1.43 0.13 -1.49 -2.46 132.00 132.60 3a8i h PRO 88 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3a8i h PRO 88 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3a8i h PRO 88 CO 0.63 0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 177.58 3a8i n GLU 89 N -3.16 0.05 0.27 0.86 0.00 -1.26 -2.14 120.64 115.26 3a8i n GLU 89 Ca -0.01 0.47 0.11 0.00 0.00 0.00 0.00 57.16 57.73 3a8i n GLU 89 Cb 0.24 -1.65 0.73 0.00 0.00 0.00 0.00 31.44 30.76 3a8i n GLU 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3a8i h LEU 90 N 0.00 0.00 -1.38 -1.84 3.38 -1.80 -0.70 115.31 112.97 3a8i h LEU 90 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3a8i h LEU 90 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3a8i h LEU 90 CO 0.00 0.05 0.19 0.58 0.09 0.00 0.00 178.44 179.35 3a8i h VAL 91 N 0.00 1.16 0.06 1.22 2.07 -1.65 -0.22 116.25 118.88 3a8i h VAL 91 Ca -0.00 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 66.93 3a8i h VAL 91 Cb 0.12 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3a8i h VAL 91 CO 0.01 0.19 -0.57 0.78 0.02 0.00 0.00 177.57 178.00 3a8i h ASN 92 N 0.61 0.19 0.85 0.57 -0.26 -1.48 -3.24 115.58 112.81 3a8i h ASN 92 Ca 0.15 -0.91 -0.24 0.00 -0.56 0.00 0.00 56.30 54.74 3a8i h ASN 92 Cb 0.10 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 3a8i h ASN 92 CO -0.02 1.25 -1.12 0.77 -1.06 0.00 0.00 177.43 177.26 3a8i h SER 93 N -0.72 0.15 -1.92 5.81 4.64 -1.15 -3.39 113.55 116.97 3a8i h SER 93 Ca -0.12 -0.17 -0.48 0.00 -0.47 0.00 0.00 61.79 60.55 3a8i h SER 93 Cb 1.33 -0.05 -0.39 0.00 -0.31 0.00 0.00 62.40 62.98 3a8i h SER 93 CO 0.03 1.13 -1.16 -0.62 -0.87 0.00 0.00 176.83 175.34 3a8i n GLU 94 N -3.40 0.93 0.30 4.77 1.02 -0.10 -4.95 120.64 119.21 3a8i n GLU 94 Ca -0.04 -3.30 0.20 0.00 -0.02 0.00 0.00 57.16 54.01 3a8i n GLU 94 Cb 0.97 -1.61 1.05 0.00 -0.02 0.00 0.00 31.44 31.84 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 3.16 0.00 -0.01 3.49 0.13 -1.59 0.19 132.00 137.37 3a8i h PRO 95 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 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 0.48 0.00 -0.32 0.66 -0.23 0.00 0.00 178.00 178.59 3a8i n TYR 96 N -2.97 0.00 0.00 1.56 4.01 -1.26 -4.32 117.16 114.18 3a8i n TYR 96 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3a8i n TYR 96 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 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 -0.24 0.00 0.32 -0.72 0.00 -0.61 -4.86 120.51 114.40 3a8i n ALA 97 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.67 3a8i n ALA 97 Cb 0.29 0.00 0.92 0.00 0.00 0.00 0.00 19.45 20.66 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 -1.11 0.00 0.00 -1.87 -2.83 103.07 97.26 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 -1.21 0.54 3.58 4.60 0.00 0.55 -4.83 105.19 108.43 3a8i n GLY 99 Ca -0.02 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 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 0.48 0.42 -0.07 1.61 4.27 -1.07 -4.47 117.44 118.62 3a8i n TRP 100 Ca 0.15 0.41 -0.12 0.00 -3.89 0.00 0.00 57.50 54.04 3a8i n TRP 100 Cb 0.33 -2.07 -0.04 0.00 -1.36 0.00 0.00 31.31 28.17 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 -2.08 1.23 -4.12 -1.67 2.08 0.12 -4.56 119.36 110.37 3a8i n ILE 101 Ca 0.13 0.01 -0.13 0.00 0.56 0.00 0.00 62.75 63.32 3a8i n ILE 101 Cb 0.48 -1.94 -0.07 0.00 -0.75 0.00 0.00 39.64 37.37 3a8i n ILE 101 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 176.55 177.83 3a8i s PHE 102 N -2.48 0.97 0.01 1.39 -0.12 -0.66 -0.80 117.98 116.29 3a8i s PHE 102 Ca -0.22 -1.20 0.07 0.00 -0.05 0.00 0.00 56.93 55.53 3a8i s PHE 102 Cb 0.06 -0.22 -0.02 0.00 -0.63 0.00 0.00 43.02 42.21 3a8i s PHE 102 CO 0.30 -0.91 -0.21 0.15 -0.05 0.00 0.00 175.22 174.50 3a8i s LYS 103 N -3.71 1.54 -0.02 1.99 1.02 -0.23 -0.28 119.74 120.05 3a8i s LYS 103 Ca 0.32 -0.85 0.03 0.00 0.02 0.00 0.00 55.97 55.49 3a8i s LYS 103 Cb 0.02 -1.58 -0.00 0.00 -0.52 0.00 0.00 37.83 35.75 3a8i s LYS 103 CO 0.15 0.42 -0.10 -1.50 -0.92 0.00 0.00 175.35 173.40 3a8i s ILE 104 N -0.65 0.87 -0.48 2.17 2.07 0.44 -0.96 121.20 124.66 3a8i s ILE 104 Ca 0.08 -0.43 -0.21 0.00 -1.41 0.00 0.00 60.65 58.67 3a8i s ILE 104 Cb -0.08 -0.75 0.04 0.00 0.13 0.00 0.00 42.46 41.79 3a8i s ILE 104 CO 0.01 0.26 0.70 -0.75 -1.91 0.00 0.00 174.94 173.24 3a8i s LYS 105 N -0.02 3.25 0.36 3.50 2.20 0.53 -0.57 119.74 128.99 3a8i s LYS 105 Ca 0.00 -0.49 -0.27 0.00 -0.36 0.00 0.00 55.97 54.86 3a8i s LYS 105 Cb -0.07 -4.01 -0.09 0.00 -1.51 0.00 0.00 37.83 32.15 3a8i s LYS 105 CO 0.00 -1.16 1.15 0.00 -0.36 0.00 0.00 175.35 174.98 3a8i s ALA 106 N 2.99 3.25 -0.94 3.13 0.00 -1.26 -1.16 121.76 127.77 3a8i s ALA 106 Ca 0.22 0.94 0.09 0.00 0.00 0.00 0.00 51.96 53.21 3a8i s ALA 106 Cb -0.15 -3.36 0.16 0.00 0.00 0.00 0.00 23.12 19.76 3a8i s ALA 106 CO 0.17 -0.39 0.99 -1.13 0.00 0.00 0.00 175.76 175.40 3a8i n SER 107 N 0.44 2.23 -3.30 0.00 3.41 -0.64 -4.94 113.62 110.83 3a8i n SER 107 Ca 0.02 -1.68 -0.09 0.00 -0.26 0.00 0.00 58.87 56.87 3a8i n SER 107 Cb 0.46 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.87 0.32 0.36 4.04 -1.08 -1.26 -5.01 116.67 113.18 3a8i s ASP 108 Ca 0.14 -0.36 0.05 0.00 -0.52 0.00 0.00 52.55 51.86 3a8i s ASP 108 Cb 0.09 1.13 0.68 0.00 -1.46 0.00 0.00 42.92 43.36 3a8i s ASP 108 CO 0.12 -0.35 1.96 -0.33 0.52 0.00 0.00 175.17 177.09 3a8i h GLU 109 N 8.16 0.61 -0.01 4.34 4.39 -1.98 -2.68 114.58 127.41 3a8i h GLU 109 Ca -0.08 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 3a8i h GLU 109 Cb 1.12 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3a8i h GLU 109 CO 0.26 0.50 -0.14 0.66 -1.16 0.00 0.00 179.01 179.12 3a8i h SER 110 N 0.60 0.01 -0.03 1.42 4.64 -1.98 0.24 113.55 118.45 3a8i h SER 110 Ca 0.15 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 3a8i h SER 110 Cb 0.12 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3a8i h SER 110 CO -0.02 0.15 -0.03 -0.33 -0.87 0.00 0.00 176.83 175.74 3a8i h GLU 111 N 0.01 0.07 -0.98 4.77 5.08 -1.91 -2.98 114.58 118.65 3a8i h GLU 111 Ca 0.00 -0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.49 3a8i h GLU 111 Cb 0.26 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 3a8i h GLU 111 CO 0.02 0.53 0.61 -0.07 -1.00 0.00 0.00 179.01 179.10 3a8i h LEU 112 N -0.38 0.77 -0.26 1.33 3.38 -1.38 -1.46 115.31 117.31 3a8i h LEU 112 Ca 0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3a8i h LEU 112 Cb 0.52 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3a8i h LEU 112 CO 0.01 0.34 0.00 -0.62 0.09 0.00 0.00 178.44 178.26 3a8i n GLU 113 N -4.66 0.13 -0.20 1.13 1.02 0.02 -2.31 120.64 115.77 3a8i n GLU 113 Ca 0.21 0.27 0.07 0.00 -0.02 0.00 0.00 57.16 57.68 3a8i n GLU 113 Cb 0.50 -1.70 0.18 0.00 -0.02 0.00 0.00 31.44 30.40 3a8i n GLU 113 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3a8i n SER 114 N -1.93 3.07 -4.77 1.62 7.64 -0.57 -5.00 113.62 113.68 3a8i n SER 114 Ca 0.04 -1.97 -0.38 0.00 1.01 0.00 0.00 58.87 57.57 3a8i n SER 114 Cb 0.27 -0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.19 3a8i n SER 114 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3a8i s LEU 115 N -1.01 4.11 0.78 -3.43 1.43 -0.98 -5.01 118.68 114.57 3a8i s LEU 115 Ca 0.28 2.30 -0.11 0.00 -1.03 0.00 0.00 54.13 55.57 3a8i s LEU 115 Cb 0.15 -4.13 0.06 0.00 0.03 0.00 0.00 46.19 42.30 3a8i s LEU 115 CO 0.19 -0.76 1.08 -0.76 0.23 0.00 0.00 176.35 176.34 3a8i s LEU 116 N -2.72 2.88 0.43 1.79 2.01 0.39 -4.73 118.68 118.72 3a8i s LEU 116 Ca 0.60 1.65 0.07 0.00 0.01 0.00 0.00 54.13 56.46 3a8i s LEU 116 Cb -0.29 -4.34 -0.05 0.00 0.01 0.00 0.00 46.19 41.52 3a8i s LEU 116 CO 0.36 -1.98 0.15 1.51 1.01 0.00 0.00 176.35 177.40 3a8i s ASP 117 N -3.56 4.32 0.38 2.29 -4.77 -1.26 0.46 116.67 114.53 3a8i s ASP 117 Ca 0.61 -1.18 0.23 0.00 -3.30 0.00 0.00 52.55 48.90 3a8i s ASP 117 Cb -0.16 -0.34 1.32 0.00 -1.09 0.00 0.00 42.92 42.65 3a8i s ASP 117 CO 0.56 -0.58 1.61 0.00 0.70 0.00 0.00 175.17 177.45 3a8i h ALA 118 N 1.44 2.30 0.15 2.11 0.00 -1.73 0.11 119.26 123.64 3a8i h ALA 118 Ca -0.43 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3a8i h ALA 118 Cb 1.26 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3a8i h ALA 118 CO 0.71 -1.01 -0.07 1.15 0.00 0.00 0.00 179.25 180.03 3a8i h THR 119 N 0.09 0.80 0.00 0.00 2.02 -1.93 -2.53 112.91 111.36 3a8i h THR 119 Ca 0.82 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 3a8i h THR 119 Cb 2.25 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 70.02 3a8i h THR 119 CO -0.64 0.22 -0.00 0.00 0.37 0.00 0.00 175.52 175.46 3a8i h ALA 120 N -0.38 1.70 0.00 6.16 0.00 -1.48 -2.38 119.26 122.88 3a8i h ALA 120 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a8i h ALA 120 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3a8i h ALA 120 CO 0.03 0.00 -0.00 -0.92 0.00 0.00 0.00 179.25 178.37 3a8i h TYR 121 N 0.00 -0.00 0.00 0.00 3.20 -0.93 -3.18 116.97 116.06 3a8i h TYR 121 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3a8i h TYR 121 Cb 0.01 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3a8i h TYR 121 CO 0.00 0.78 0.02 0.39 -1.64 0.00 0.00 178.16 177.71 3a8i n GLU 122 N -4.72 0.07 0.02 1.82 1.02 -0.93 0.22 120.64 118.15 3a8i n GLU 122 Ca -0.09 0.56 0.13 0.00 -0.02 0.00 0.00 57.16 57.74 3a8i n GLU 122 Cb 0.38 -1.76 0.36 0.00 -0.02 0.00 0.00 31.44 30.39 3a8i n GLU 122 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a8i n ALA 123 N -1.63 2.93 -0.07 0.62 0.00 -0.99 -3.02 120.51 118.35 3a8i n ALA 123 Ca -0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 53.44 53.06 3a8i n ALA 123 Cb 0.04 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.08 3a8i n ALA 123 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3a8i n LEU 124 N -1.71 1.79 -0.03 0.00 7.94 0.13 -1.67 117.00 123.45 3a8i n LEU 124 Ca 0.05 0.09 -0.15 0.00 -1.11 0.00 0.00 56.01 54.90 3a8i n LEU 124 Cb 0.37 -0.42 -0.10 0.00 0.53 0.00 0.00 43.42 43.80 3a8i n LEU 124 CO 0.32 0.71 0.46 -0.07 -1.11 0.00 0.00 177.39 177.71 3a8i h LEU 125 N 0.02 0.30 -1.41 -1.96 3.38 -1.71 -3.27 115.31 110.66 3a8i h LEU 125 Ca -0.48 -0.65 -0.00 0.00 0.09 0.00 0.00 57.88 56.84 3a8i h LEU 125 Cb 2.04 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.67 3a8i h LEU 125 CO 0.02 0.91 0.33 -0.33 0.09 0.00 0.00 178.44 179.46 3a8i h GLU 126 N -0.28 0.73 -0.59 1.13 4.39 -1.69 -2.16 114.58 116.10 3a8i h GLU 126 Ca -0.02 -0.06 0.12 0.00 0.34 0.00 0.00 59.36 59.74 3a8i h GLU 126 Cb 0.90 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 3a8i h GLU 126 CO 0.05 0.51 0.40 0.22 -1.16 0.00 0.00 179.01 179.03 3a8i h ASP 127 N 0.74 0.28 0.00 1.42 1.82 -1.37 -3.50 116.42 115.81 3a8i h ASP 127 Ca 0.20 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 3a8i h ASP 127 Cb -0.04 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 39.92 3a8i h ASP 127 CO -0.04 0.16 0.00 -0.62 -1.61 0.00 0.00 179.24 177.13