#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i59 n HIS 0 N 0.00 0.71 -0.18 0.66 -0.00 -1.26 -3.37 115.22 111.78 3i59 n HIS 0 Ca 0.00 0.24 0.08 0.00 -0.00 0.00 0.00 57.72 58.04 3i59 n HIS 0 Cb 0.00 -1.08 0.38 0.00 -0.00 0.00 0.00 29.99 29.29 3i59 n HIS 0 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.34 178.32 3i59 h MET 1 N -0.63 0.67 0.00 1.57 1.85 -1.99 -0.60 114.93 115.79 3i59 h MET 1 Ca -0.48 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 58.52 3i59 h MET 1 Cb 1.62 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 33.49 3i59 h MET 1 CO -0.18 0.44 -0.24 -0.44 -0.40 0.00 0.00 176.91 176.09 3i59 h ASP 2 N 0.69 0.00 0.11 1.39 3.32 -1.95 -1.61 116.42 118.37 3i59 h ASP 2 Ca 0.32 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 3i59 h ASP 2 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3i59 h ASP 2 CO -0.11 0.24 -0.05 -0.08 -1.72 0.00 0.00 179.24 177.51 3i59 h GLU 3 N 0.00 -0.14 0.15 3.56 4.81 -1.15 -3.00 114.58 118.80 3i59 h GLU 3 Ca -0.00 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3i59 h GLU 3 Cb 0.44 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 3i59 h GLU 3 CO 0.03 0.31 -0.27 0.82 -0.73 0.00 0.00 179.01 179.17 3i59 h ILE 4 N -0.92 0.42 -0.75 2.32 1.08 -1.28 -2.30 117.51 116.07 3i59 h ILE 4 Ca -0.01 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.59 3i59 h ILE 4 Cb 0.52 0.42 -0.05 0.00 -3.07 0.00 0.00 36.82 34.63 3i59 h ILE 4 CO 0.02 0.00 0.50 -0.07 -0.69 0.00 0.00 178.15 177.91 3i59 h LEU 5 N -0.49 0.43 -2.00 1.44 4.07 -1.45 -2.20 115.31 115.11 3i59 h LEU 5 Ca 0.02 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 3i59 h LEU 5 Cb 0.51 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.18 3i59 h LEU 5 CO -0.14 0.23 -0.05 0.00 -1.08 0.00 0.00 178.44 177.40 3i59 h ALA 6 N 1.64 1.09 -0.50 1.53 0.00 -1.26 -2.30 119.26 119.46 3i59 h ALA 6 Ca 0.37 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.99 3i59 h ALA 6 Cb 0.77 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.41 3i59 h ALA 6 CO -0.12 0.06 0.09 2.89 0.00 0.00 0.00 179.25 182.17 3i59 n ARG 7 N -3.27 2.09 -3.43 0.00 1.85 -0.83 -4.58 116.66 108.50 3i59 n ARG 7 Ca -0.01 -3.12 -0.38 0.00 -1.00 0.00 0.00 57.85 53.34 3i59 n ARG 7 Cb 0.23 -1.91 -0.06 0.00 -1.05 0.00 0.00 32.46 29.67 3i59 n ARG 7 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i59 s ALA 8 N -3.22 3.66 0.37 2.89 0.00 -0.87 -4.91 121.76 119.69 3i59 s ALA 8 Ca 0.47 -0.14 0.17 0.00 0.00 0.00 0.00 51.96 52.46 3i59 s ALA 8 Cb 0.42 -2.47 1.09 0.00 0.00 0.00 0.00 23.12 22.16 3i59 s ALA 8 CO 0.03 0.46 1.70 0.78 0.00 0.00 0.00 175.76 178.73 3i59 h GLY 9 N 4.63 1.68 2.00 0.00 0.00 -1.89 0.22 103.07 109.71 3i59 h GLY 9 Ca -0.51 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3i59 h GLY 9 CO 0.62 -0.32 0.00 4.51 0.00 0.00 0.00 176.54 181.35 3i59 n ILE 10 N -4.84 1.15 -0.11 2.60 3.06 -1.26 -2.85 119.36 117.11 3i59 n ILE 10 Ca 0.29 0.46 0.00 0.00 -2.50 0.00 0.00 62.75 61.01 3i59 n ILE 10 Cb 0.96 -1.40 0.00 0.00 0.54 0.00 0.00 39.64 39.74 3i59 n ILE 10 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 3i59 n PHE 11 N -1.99 0.00 -1.51 9.51 0.99 0.78 -4.77 117.46 120.47 3i59 n PHE 11 Ca 0.01 -0.37 -0.15 0.00 -0.00 0.00 0.00 57.45 56.94 3i59 n PHE 11 Cb 0.11 -0.04 -0.12 0.00 -1.00 0.00 0.00 39.48 38.43 3i59 n PHE 11 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 3i59 n GLN 12 N -0.37 0.30 0.00 -1.08 -0.06 -1.13 -4.47 117.38 110.56 3i59 n GLN 12 Ca 0.00 -0.65 0.00 0.00 -2.00 0.00 0.00 57.00 54.35 3i59 n GLN 12 Cb 0.24 -2.75 0.00 0.00 -4.06 0.00 0.00 30.24 23.67 3i59 n GLN 12 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i59 n GLY 13 N 6.18 3.98 2.56 1.69 0.00 -1.26 -5.00 105.19 113.34 3i59 n GLY 13 Ca 0.49 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3i59 n GLY 13 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i59 n VAL 14 N -0.23 1.69 -1.70 1.61 0.31 -1.26 -5.15 118.33 113.60 3i59 n VAL 14 Ca 0.00 -3.38 -0.37 0.00 -0.01 0.00 0.00 64.34 60.57 3i59 n VAL 14 Cb 0.00 0.45 0.05 0.00 -0.91 0.00 0.00 33.84 33.42 3i59 n VAL 14 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i59 n GLU 15 N -0.61 2.69 0.00 5.55 1.02 -1.26 -5.28 120.64 122.75 3i59 n GLU 15 Ca 0.20 -3.35 0.00 0.00 -0.02 0.00 0.00 57.16 53.99 3i59 n GLU 15 Cb 0.85 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 3i59 n GLU 15 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3i59 n THR 23 N -0.56 0.00 -2.08 2.62 -2.24 -1.26 -5.17 114.28 105.59 3i59 n THR 23 Ca 0.56 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.29 3i59 n THR 23 Cb 0.38 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.64 3i59 n THR 23 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i59 n LYS 24 N 11.23 -0.73 -3.84 -0.78 4.81 -1.26 -4.99 118.16 122.59 3i59 n LYS 24 Ca 0.00 0.34 -0.33 0.00 -0.87 0.00 0.00 58.31 57.46 3i59 n LYS 24 Cb 0.00 -2.96 -0.05 0.00 0.02 0.00 0.00 35.03 32.04 3i59 n LYS 24 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3i59 s GLN 25 N -3.43 3.50 0.00 1.64 -0.21 -1.26 -5.04 119.66 114.86 3i59 s GLN 25 Ca 0.14 -0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.25 3i59 s GLN 25 Cb -0.02 -3.04 0.00 0.00 1.00 0.00 0.00 33.01 30.96 3i59 s GLN 25 CO 0.25 0.62 0.00 1.47 -2.12 0.00 0.00 175.29 175.51 3i59 n LEU 26 N 0.63 0.00 0.00 2.90 -0.00 -1.26 -5.15 117.00 114.12 3i59 n LEU 26 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 3i59 n LEU 26 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 3i59 n LEU 26 CO 0.47 -0.19 0.00 0.00 -0.00 0.00 0.00 177.39 177.66 3i59 n GLN 27 N -1.58 0.00 -2.60 1.47 -0.00 -1.26 -5.17 117.38 108.24 3i59 n GLN 27 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.00 56.79 3i59 n GLN 27 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 30.24 30.34 3i59 n GLN 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 3i59 n PRO 28 N 0.00 0.10 -3.96 2.61 -0.04 -1.26 -4.56 135.00 127.89 3i59 n PRO 28 Ca 0.00 -2.72 -0.11 0.00 -0.04 0.00 0.00 63.50 60.63 3i59 n PRO 28 Cb 0.00 -0.53 -0.12 0.00 -0.04 0.00 0.00 33.50 32.81 3i59 n PRO 28 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i59 s VAL 29 N -2.83 0.12 -0.17 0.52 0.11 0.51 -4.99 120.40 113.67 3i59 s VAL 29 Ca 0.62 -0.60 -0.08 0.00 -2.93 0.00 0.00 61.98 59.00 3i59 s VAL 29 Cb -0.04 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 3i59 s VAL 29 CO 0.41 -0.30 0.10 -1.81 -3.33 0.00 0.00 175.10 170.17 3i59 s ASP 30 N -0.94 6.03 -0.04 3.54 1.11 -1.26 -2.25 116.67 122.85 3i59 s ASP 30 Ca -0.10 0.25 0.04 0.00 0.18 0.00 0.00 52.55 52.91 3i59 s ASP 30 Cb -0.06 -2.00 0.00 0.00 1.07 0.00 0.00 42.92 41.92 3i59 s ASP 30 CO -0.01 0.25 -0.14 -0.36 1.18 0.00 0.00 175.17 176.09 3i59 s PHE 31 N -0.09 1.48 0.85 4.23 2.99 0.30 -5.01 117.98 122.73 3i59 s PHE 31 Ca 0.09 -0.44 -0.11 0.00 0.00 0.00 0.00 56.93 56.47 3i59 s PHE 31 Cb -0.12 -1.02 0.10 0.00 0.00 0.00 0.00 43.02 41.98 3i59 s PHE 31 CO 0.00 -0.17 1.09 -2.14 -0.00 0.00 0.00 175.22 174.01 3i59 s PRO 32 N 0.18 1.67 0.79 0.24 0.02 -1.26 -0.55 135.00 136.09 3i59 s PRO 32 Ca -0.05 0.82 -0.14 0.00 0.02 0.00 0.00 61.00 61.64 3i59 s PRO 32 Cb -0.11 -1.86 0.07 0.00 0.02 0.00 0.00 34.50 32.62 3i59 s PRO 32 CO 0.02 -1.96 1.21 -2.13 -0.33 0.00 0.00 177.00 173.82 3i59 n ARG 33 N -3.69 0.27 -1.33 5.54 0.00 -1.25 -3.46 116.66 112.74 3i59 n ARG 33 Ca 0.07 0.17 -0.11 0.00 -0.00 0.00 0.00 57.85 57.97 3i59 n ARG 33 Cb 0.55 -2.45 -0.05 0.00 0.00 0.00 0.00 32.46 30.51 3i59 n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i59 n GLY 34 N 0.58 1.26 3.75 5.14 0.00 -1.00 -4.93 105.19 109.99 3i59 n GLY 34 Ca 0.14 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 3i59 n GLY 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i59 s HIS 35 N -2.41 3.49 -0.67 1.61 5.04 -1.22 -4.90 115.29 116.22 3i59 s HIS 35 Ca 0.00 0.60 -0.26 0.00 -1.54 0.00 0.00 55.06 53.86 3i59 s HIS 35 Cb 0.00 -2.29 0.04 0.00 0.04 0.00 0.00 32.58 30.37 3i59 s HIS 35 CO 0.00 0.31 1.15 0.99 -2.34 0.00 0.00 174.74 174.85 3i59 s THR 36 N 0.21 4.00 0.25 0.89 2.01 -1.26 -1.76 115.64 119.98 3i59 s THR 36 Ca 0.16 0.30 -0.02 0.00 0.31 0.00 0.00 61.69 62.44 3i59 s THR 36 Cb -0.13 -4.78 0.10 0.00 0.01 0.00 0.00 72.50 67.70 3i59 s THR 36 CO 0.04 -1.58 1.73 0.58 -0.69 0.00 0.00 174.62 174.70 3i59 h VAL 37 N 6.04 1.25 -2.24 3.82 2.07 -1.52 -3.45 116.25 122.22 3i59 h VAL 37 Ca -0.27 -1.06 0.15 0.00 0.82 0.00 0.00 66.70 66.33 3i59 h VAL 37 Cb 1.06 0.93 -0.13 0.00 -1.52 0.00 0.00 31.29 31.63 3i59 h VAL 37 CO 1.22 0.37 0.51 0.72 0.02 0.00 0.00 177.57 180.41 3i59 s PHE 38 N -4.92 -0.25 0.08 1.57 -0.12 -1.22 -4.99 117.98 108.12 3i59 s PHE 38 Ca -0.09 0.06 0.07 0.00 -0.05 0.00 0.00 56.93 56.92 3i59 s PHE 38 Cb 0.14 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 43.07 3i59 s PHE 38 CO 0.82 -0.62 -0.15 0.00 -0.05 0.00 0.00 175.22 175.22 3i59 s ALA 39 N -3.13 2.76 -0.09 1.99 0.00 -1.26 -1.54 121.76 120.49 3i59 s ALA 39 Ca 0.08 -1.23 -0.39 0.00 0.00 0.00 0.00 51.96 50.42 3i59 s ALA 39 Cb -0.01 -0.80 -0.17 0.00 0.00 0.00 0.00 23.12 22.15 3i59 s ALA 39 CO -0.05 0.60 1.51 -1.91 0.00 0.00 0.00 175.76 175.91 3i59 n GLU 40 N 1.11 1.04 0.00 0.00 2.13 -1.14 -2.37 120.64 121.41 3i59 n GLU 40 Ca -0.15 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.05 3i59 n GLU 40 Cb 0.52 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.21 3i59 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i59 n GLY 41 N 3.22 2.72 3.91 8.31 0.00 -0.42 -4.91 105.19 118.01 3i59 n GLY 41 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 3i59 n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i59 s GLU 42 N -0.94 2.85 0.31 1.61 -1.05 -1.00 -4.45 118.70 116.02 3i59 s GLU 42 Ca 0.00 0.07 -0.29 0.00 -0.15 0.00 0.00 54.97 54.61 3i59 s GLU 42 Cb 0.00 -2.21 -0.10 0.00 -0.44 0.00 0.00 34.13 31.38 3i59 s GLU 42 CO 0.00 -0.81 1.15 -2.14 0.95 0.00 0.00 175.26 174.40 3i59 s PRO 43 N -5.09 4.51 0.07 -4.83 0.02 -1.26 -0.50 135.00 127.92 3i59 s PRO 43 Ca 0.55 1.88 0.04 0.00 0.02 0.00 0.00 61.00 63.49 3i59 s PRO 43 Cb -0.11 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 3i59 s PRO 43 CO 0.46 0.07 0.02 0.20 -0.33 0.00 0.00 177.00 177.42 3i59 s GLY 44 N -0.86 1.94 0.00 0.52 0.00 -1.24 -4.84 107.32 102.84 3i59 s GLY 44 Ca 0.47 -1.07 0.18 0.00 0.00 0.00 0.00 44.72 44.31 3i59 s GLY 44 CO 0.43 -1.03 1.12 1.34 0.00 0.00 0.00 173.10 174.96 3i59 n ASP 45 N 0.66 0.42 -3.75 1.64 2.03 -1.26 -4.73 116.55 111.56 3i59 n ASP 45 Ca -0.11 -2.00 -0.13 0.00 0.52 0.00 0.00 54.79 53.07 3i59 n ASP 45 Cb 0.52 -0.13 -0.14 0.00 -0.72 0.00 0.00 41.12 40.65 3i59 n ASP 45 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3i59 s ARG 46 N 0.00 0.13 0.22 -0.67 3.52 -1.26 -3.97 118.95 116.92 3i59 s ARG 46 Ca 0.24 0.40 0.06 0.00 -0.13 0.00 0.00 55.73 56.30 3i59 s ARG 46 Cb 0.28 -0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.49 3i59 s ARG 46 CO -0.12 -0.15 0.20 -0.48 -0.81 0.00 0.00 175.30 173.94 3i59 s LEU 47 N 1.09 3.89 0.01 -0.88 0.05 -0.42 -4.63 118.68 117.80 3i59 s LEU 47 Ca -0.08 -0.16 0.03 0.00 0.05 0.00 0.00 54.13 53.97 3i59 s LEU 47 Cb -0.10 -2.45 -0.01 0.00 -2.05 0.00 0.00 46.19 41.57 3i59 s LEU 47 CO -0.06 -0.00 -0.10 -0.31 -0.55 0.00 0.00 176.35 175.32 3i59 s TYR 48 N -1.98 0.91 -0.19 3.48 1.51 0.22 -1.68 117.35 119.62 3i59 s TYR 48 Ca 0.32 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 56.14 3i59 s TYR 48 Cb -0.09 -0.56 0.04 0.00 -0.11 0.00 0.00 41.96 41.24 3i59 s TYR 48 CO 0.25 -0.01 -0.12 0.42 -1.11 0.00 0.00 175.55 174.98 3i59 s ILE 49 N -0.56 1.74 0.17 2.71 1.01 0.01 -1.57 121.20 124.71 3i59 s ILE 49 Ca 0.01 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.35 3i59 s ILE 49 Cb -0.06 -1.76 -0.08 0.00 0.01 0.00 0.00 42.46 40.57 3i59 s ILE 49 CO 0.00 0.24 1.34 -0.63 0.00 0.00 0.00 174.94 175.89 3i59 s ILE 50 N 1.37 3.23 -0.26 2.92 1.01 -0.92 -1.07 121.20 127.47 3i59 s ILE 50 Ca -0.00 0.97 -0.09 0.00 0.00 0.00 0.00 60.65 61.52 3i59 s ILE 50 Cb -0.16 -3.62 -0.13 0.00 0.01 0.00 0.00 42.46 38.57 3i59 s ILE 50 CO -0.09 0.12 -0.31 -0.38 0.00 0.00 0.00 174.94 174.28 3i59 n ILE 51 N 3.04 1.46 -3.98 2.92 5.41 0.19 -0.46 119.36 127.94 3i59 n ILE 51 Ca 0.08 -0.43 -0.12 0.00 1.00 0.00 0.00 62.75 63.29 3i59 n ILE 51 Cb 0.43 -1.73 -0.12 0.00 -0.71 0.00 0.00 39.64 37.50 3i59 n ILE 51 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3i59 s SER 52 N -7.13 0.32 0.00 4.38 0.15 -0.81 -4.65 113.70 105.95 3i59 s SER 52 Ca -0.36 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 55.99 3i59 s SER 52 Cb 0.13 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 3i59 s SER 52 CO 0.50 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.41 3i59 n GLY 53 N 2.23 1.37 3.45 9.45 0.00 -1.26 -0.37 105.19 120.06 3i59 n GLY 53 Ca -0.18 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 43.54 3i59 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i59 s LYS 54 N -1.89 1.61 -0.01 1.61 1.02 -1.26 -3.85 119.74 116.98 3i59 s LYS 54 Ca 0.00 -1.51 0.00 0.00 0.02 0.00 0.00 55.97 54.48 3i59 s LYS 54 Cb 0.00 -1.88 0.01 0.00 -0.52 0.00 0.00 37.83 35.44 3i59 s LYS 54 CO 0.00 0.40 -0.00 0.08 -0.92 0.00 0.00 175.35 174.90 3i59 s VAL 55 N -1.76 0.12 -0.10 3.17 1.01 -0.31 -1.68 120.40 120.84 3i59 s VAL 55 Ca 0.22 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 3i59 s VAL 55 Cb -0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 3i59 s VAL 55 CO 0.11 0.09 0.22 -1.59 0.00 0.00 0.00 175.10 173.93 3i59 s LYS 56 N 0.53 3.71 -0.29 2.72 -2.85 0.11 -0.34 119.74 123.33 3i59 s LYS 56 Ca -0.05 0.02 -0.08 0.00 -1.00 0.00 0.00 55.97 54.86 3i59 s LYS 56 Cb -0.08 -3.24 -0.00 0.00 -2.06 0.00 0.00 37.83 32.45 3i59 s LYS 56 CO -0.01 0.66 0.10 0.42 0.10 0.00 0.00 175.35 176.62 3i59 s ILE 57 N -0.76 4.18 0.07 3.79 1.09 -0.63 -0.81 121.20 128.13 3i59 s ILE 57 Ca 0.17 -0.55 0.08 0.00 -1.10 0.00 0.00 60.65 59.25 3i59 s ILE 57 Cb -0.13 -3.12 -0.03 0.00 -1.06 0.00 0.00 42.46 38.12 3i59 s ILE 57 CO 0.06 0.11 -0.22 -0.83 -0.10 0.00 0.00 174.94 173.96 3i59 s GLY 58 N 1.55 1.25 0.09 6.18 0.00 0.06 -0.47 107.32 115.97 3i59 s GLY 58 Ca 0.04 -1.20 0.06 0.00 0.00 0.00 0.00 44.72 43.62 3i59 s GLY 58 CO 0.04 -1.15 -0.16 -1.60 0.00 0.00 0.00 173.10 170.23 3i59 s ARG 59 N -1.53 0.92 -0.25 2.90 3.52 -0.43 0.33 118.95 124.41 3i59 s ARG 59 Ca 0.08 -1.04 -0.29 0.00 -0.13 0.00 0.00 55.73 54.35 3i59 s ARG 59 Cb -0.09 -0.98 0.01 0.00 -1.56 0.00 0.00 34.95 32.32 3i59 s ARG 59 CO 0.03 0.22 1.04 1.03 -0.81 0.00 0.00 175.30 176.81 3i59 s ARG 60 N -1.89 4.21 0.44 5.12 1.81 -1.26 -1.27 118.95 126.10 3i59 s ARG 60 Ca 0.01 1.28 -0.18 0.00 -1.72 0.00 0.00 55.73 55.12 3i59 s ARG 60 Cb -0.09 -3.66 -0.09 0.00 -0.45 0.00 0.00 34.95 30.65 3i59 s ARG 60 CO 0.03 -0.69 0.92 0.00 -0.68 0.00 0.00 175.30 174.88 3i59 s ALA 61 N 3.29 3.11 0.47 2.13 0.00 0.11 -4.90 121.76 125.96 3i59 s ALA 61 Ca 0.44 0.24 0.20 0.00 0.00 0.00 0.00 51.96 52.84 3i59 s ALA 61 Cb -0.14 -3.06 1.27 0.00 0.00 0.00 0.00 23.12 21.19 3i59 s ALA 61 CO 0.08 0.03 2.07 -1.35 0.00 0.00 0.00 175.76 176.59 3i59 h PRO 62 N 1.60 0.00 -0.24 0.00 0.11 -1.97 0.11 132.00 131.61 3i59 h PRO 62 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i59 h PRO 62 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3i59 h PRO 62 CO 0.62 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 3i59 n ASP 63 N -4.10 0.74 0.00 -2.05 3.85 -1.26 -4.86 116.55 108.87 3i59 n ASP 63 Ca -0.02 -2.02 0.00 0.00 -0.71 0.00 0.00 54.79 52.03 3i59 n ASP 63 Cb 0.20 -0.14 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 3i59 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i59 n GLY 64 N 0.57 1.78 3.89 6.12 0.00 0.39 -5.03 105.19 112.90 3i59 n GLY 64 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3i59 n GLY 64 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i59 s ARG 65 N -0.19 1.73 -0.28 1.61 1.70 -1.24 -4.80 118.95 117.49 3i59 s ARG 65 Ca 0.00 0.09 -0.04 0.00 -0.47 0.00 0.00 55.73 55.31 3i59 s ARG 65 Cb 0.00 -1.93 0.02 0.00 -0.57 0.00 0.00 34.95 32.48 3i59 s ARG 65 CO 0.00 -1.75 0.01 -1.21 -1.08 0.00 0.00 175.30 171.27 3i59 s GLU 66 N -5.56 2.90 -0.42 3.89 0.41 -1.26 0.10 118.70 118.75 3i59 s GLU 66 Ca 0.63 -0.96 -0.29 0.00 -0.41 0.00 0.00 54.97 53.94 3i59 s GLU 66 Cb -0.11 -3.18 0.02 0.00 -1.78 0.00 0.00 34.13 29.07 3i59 s GLU 66 CO 0.50 -0.45 1.27 -0.80 -0.49 0.00 0.00 175.26 175.29 3i59 s ASN 67 N 1.39 6.53 -0.16 -0.19 -0.87 -0.40 -4.70 114.94 116.54 3i59 s ASN 67 Ca 0.01 0.73 -0.29 0.00 -1.57 0.00 0.00 52.86 51.74 3i59 s ASN 67 Cb -0.17 -2.54 -0.01 0.00 -0.02 0.00 0.00 41.25 38.50 3i59 s ASN 67 CO -0.01 -1.29 1.16 -0.76 -2.57 0.00 0.00 177.10 173.63 3i59 s LEU 68 N 4.82 4.18 -0.07 0.60 1.43 -0.74 -1.31 118.68 127.60 3i59 s LEU 68 Ca 0.54 1.60 -0.18 0.00 -1.03 0.00 0.00 54.13 55.07 3i59 s LEU 68 Cb -0.11 -3.54 -0.30 0.00 0.03 0.00 0.00 46.19 42.27 3i59 s LEU 68 CO 0.30 -0.68 0.73 -0.07 0.23 0.00 0.00 176.35 176.86 3i59 h LEU 69 N 9.23 0.47 -7.63 1.79 3.38 -1.08 -3.39 115.31 118.08 3i59 h LEU 69 Ca -0.26 -0.90 0.02 0.00 0.09 0.00 0.00 57.88 56.83 3i59 h LEU 69 Cb 1.10 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.62 3i59 h LEU 69 CO 0.95 1.55 0.18 0.28 0.09 0.00 0.00 178.44 181.49 3i59 s THR 70 N -2.47 0.00 -0.32 0.22 -1.32 -1.24 -5.04 115.64 105.48 3i59 s THR 70 Ca -0.16 -0.65 -0.02 0.00 -1.21 0.00 0.00 61.69 59.64 3i59 s THR 70 Cb 0.03 -1.61 0.06 0.00 -1.51 0.00 0.00 72.50 69.47 3i59 s THR 70 CO 0.81 -0.02 0.04 -0.63 -2.21 0.00 0.00 174.62 172.60 3i59 s ILE 71 N -3.86 3.09 0.31 5.08 -1.09 -1.26 -1.60 121.20 121.87 3i59 s ILE 71 Ca 0.08 -1.46 -0.23 0.00 -2.23 0.00 0.00 60.65 56.81 3i59 s ILE 71 Cb -0.03 -2.83 -0.09 0.00 -1.58 0.00 0.00 42.46 37.93 3i59 s ILE 71 CO -0.01 -0.19 0.87 -0.04 -1.23 0.00 0.00 174.94 174.34 3i59 s MET 72 N 1.25 4.42 0.00 2.79 -1.94 0.53 -4.92 119.30 121.43 3i59 s MET 72 Ca -0.03 1.14 0.00 0.00 -1.71 0.00 0.00 55.69 55.09 3i59 s MET 72 Cb -0.20 -2.73 0.00 0.00 2.01 0.00 0.00 34.83 33.91 3i59 s MET 72 CO -0.01 0.27 0.00 0.41 -0.01 0.00 0.00 175.02 175.68 3i59 n GLY 73 N 0.42 5.39 3.67 -0.03 0.00 -1.26 -1.16 105.19 112.21 3i59 n GLY 73 Ca 0.01 -1.48 -0.46 0.00 0.00 0.00 0.00 46.02 44.10 3i59 n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i59 n PRO 74 N 0.00 2.06 0.00 1.61 -0.02 -1.25 -1.23 135.00 136.17 3i59 n PRO 74 Ca 0.00 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3i59 n PRO 74 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 3i59 n PRO 74 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3i59 n SER 75 N 2.87 0.00 -4.81 2.55 7.64 0.39 -5.00 113.62 117.26 3i59 n SER 75 Ca 0.15 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.70 3i59 n SER 75 Cb 0.29 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.50 3i59 n SER 75 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3i59 s ASP 76 N -1.75 5.87 -0.05 6.43 1.01 -0.37 -4.31 116.67 123.51 3i59 s ASP 76 Ca 0.00 1.77 0.04 0.00 0.71 0.00 0.00 52.55 55.06 3i59 s ASP 76 Cb 0.00 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 3i59 s ASP 76 CO 0.00 -1.11 -0.14 -0.32 0.21 0.00 0.00 175.17 173.81 3i59 s MET 77 N -4.16 2.50 0.09 8.23 -2.45 -1.26 -2.17 119.30 120.08 3i59 s MET 77 Ca 0.62 -0.70 -0.04 0.00 -1.25 0.00 0.00 55.69 54.33 3i59 s MET 77 Cb -0.15 -2.38 -0.03 0.00 1.25 0.00 0.00 34.83 33.52 3i59 s MET 77 CO 0.38 0.62 0.07 -0.59 1.05 0.00 0.00 175.02 176.55 3i59 s PHE 78 N -0.75 0.48 0.00 4.11 -0.71 -0.61 -4.92 117.98 115.58 3i59 s PHE 78 Ca 0.12 -0.95 0.00 0.00 -1.04 0.00 0.00 56.93 55.06 3i59 s PHE 78 Cb -0.11 -0.29 0.00 0.00 -1.21 0.00 0.00 43.02 41.41 3i59 s PHE 78 CO 0.01 -0.48 0.00 0.41 -1.34 0.00 0.00 175.22 173.82 3i59 n GLY 79 N -0.01 0.75 0.21 1.99 0.00 -1.26 -0.61 105.19 106.26 3i59 n GLY 79 Ca -0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3i59 n GLY 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3i59 h GLU 80 N 2.76 0.00 -0.79 1.61 9.09 -1.91 -3.33 114.58 122.00 3i59 h GLU 80 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 3i59 h GLU 80 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.06 3i59 h GLU 80 CO 0.00 0.10 0.36 -0.07 0.05 0.00 0.00 179.01 179.46 3i59 h LEU 81 N 0.00 1.05 -0.00 3.06 3.38 -1.95 -2.09 115.31 118.76 3i59 h LEU 81 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3i59 h LEU 81 Cb 1.06 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3i59 h LEU 81 CO 0.01 0.90 -0.04 -1.20 0.09 0.00 0.00 178.44 178.20 3i59 n SER 82 N -4.30 0.04 0.02 -0.43 7.64 -1.25 -1.04 113.62 114.30 3i59 n SER 82 Ca 0.08 0.34 -0.18 0.00 1.01 0.00 0.00 58.87 60.12 3i59 n SER 82 Cb 0.15 -0.41 -0.14 0.00 -1.01 0.00 0.00 64.21 62.80 3i59 n SER 82 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3i59 h ILE 83 N 0.01 1.55 0.17 0.44 2.04 -1.56 -3.33 117.51 116.83 3i59 h ILE 83 Ca 0.00 -2.39 -0.30 0.00 1.00 0.00 0.00 64.86 63.17 3i59 h ILE 83 Cb 0.47 3.11 0.02 0.00 -0.74 0.00 0.00 36.82 39.68 3i59 h ILE 83 CO 0.00 0.67 -1.31 -0.26 0.00 0.00 0.00 178.15 177.25 3i59 h PHE 84 N -0.43 0.78 -2.92 1.37 0.04 -1.34 -3.38 116.94 111.06 3i59 h PHE 84 Ca -0.10 -0.54 -0.61 0.00 2.80 0.00 0.00 57.97 59.51 3i59 h PHE 84 Cb 1.45 -0.04 -0.41 0.00 2.20 0.00 0.00 35.95 39.15 3i59 h PHE 84 CO 0.20 1.41 -0.67 0.34 -0.60 0.00 0.00 178.31 178.99 3i59 s ASP 85 N -7.36 4.01 -0.48 2.17 2.15 -0.21 -5.07 116.67 111.88 3i59 s ASP 85 Ca -0.07 -3.63 -0.44 0.00 0.43 0.00 0.00 52.55 48.84 3i59 s ASP 85 Cb 0.06 -1.35 -0.19 0.00 -0.30 0.00 0.00 42.92 41.14 3i59 s ASP 85 CO 0.92 -0.11 1.70 -2.65 -0.17 0.00 0.00 175.17 174.86 3i59 n PRO 86 N 2.23 0.00 -3.21 4.34 -0.02 -1.25 -4.50 135.00 132.58 3i59 n PRO 86 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3i59 n PRO 86 Cb 0.38 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 3i59 n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i59 n GLY 87 N 4.94 -1.25 3.83 -1.23 0.00 -1.26 -5.09 105.19 105.13 3i59 n GLY 87 Ca 0.37 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 3i59 n GLY 87 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i59 s PRO 88 N -0.42 3.82 0.26 1.61 0.02 -1.26 -3.65 135.00 135.38 3i59 s PRO 88 Ca 0.00 1.02 -0.31 0.00 0.02 0.00 0.00 61.00 61.73 3i59 s PRO 88 Cb 0.00 -2.11 -0.13 0.00 0.02 0.00 0.00 34.50 32.28 3i59 s PRO 88 CO 0.00 -0.38 1.41 0.54 -0.33 0.00 0.00 177.00 178.24 3i59 n ARG 89 N -1.63 2.13 0.00 5.54 5.12 0.35 -4.77 116.66 123.40 3i59 n ARG 89 Ca 0.07 0.76 0.13 0.00 -1.93 0.00 0.00 57.85 56.88 3i59 n ARG 89 Cb 0.54 -2.42 0.49 0.00 -1.16 0.00 0.00 32.46 29.91 3i59 n ARG 89 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3i59 n THR 90 N 1.68 0.00 -3.89 0.55 -2.24 -1.26 -1.30 114.28 107.82 3i59 n THR 90 Ca 0.10 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.79 3i59 n THR 90 Cb 0.33 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.37 3i59 n THR 90 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i59 s SER 91 N -2.91 -0.18 0.13 3.42 0.01 -1.26 -4.82 113.70 108.08 3i59 s SER 91 Ca 0.15 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 56.70 3i59 s SER 91 Cb 0.19 0.71 -0.04 0.00 0.21 0.00 0.00 66.02 67.09 3i59 s SER 91 CO 0.58 -1.34 0.25 -0.94 0.41 0.00 0.00 173.24 172.20 3i59 s SER 92 N -2.96 6.23 -0.13 2.44 1.04 0.15 -2.88 113.70 117.59 3i59 s SER 92 Ca 0.14 0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.75 3i59 s SER 92 Cb -0.05 -1.86 0.01 0.00 0.10 0.00 0.00 66.02 64.23 3i59 s SER 92 CO 0.08 0.08 -0.21 0.00 0.98 0.00 0.00 173.24 174.18 3i59 s ALA 93 N -1.69 2.14 -0.06 5.32 0.00 -0.59 -0.76 121.76 126.12 3i59 s ALA 93 Ca 0.34 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.28 3i59 s ALA 93 Cb -0.11 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.06 3i59 s ALA 93 CO 0.28 -0.05 -0.04 0.99 0.00 0.00 0.00 175.76 176.94 3i59 s THR 94 N 0.87 0.61 0.26 0.00 2.01 0.01 -1.13 115.64 118.27 3i59 s THR 94 Ca -0.07 -0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 3i59 s THR 94 Cb -0.15 -0.66 -0.10 0.00 0.01 0.00 0.00 72.50 71.60 3i59 s THR 94 CO -0.02 0.27 1.42 0.42 -0.69 0.00 0.00 174.62 176.01 3i59 s THR 95 N 1.31 2.68 -0.98 -0.82 -4.23 -0.72 0.10 115.64 112.98 3i59 s THR 95 Ca -0.04 0.59 0.14 0.00 -1.18 0.00 0.00 61.69 61.19 3i59 s THR 95 Cb -0.14 -3.37 -0.07 0.00 1.34 0.00 0.00 72.50 70.26 3i59 s THR 95 CO -0.02 0.10 0.68 2.30 -0.54 0.00 0.00 174.62 177.14 3i59 n ILE 96 N 2.10 0.00 -4.28 2.99 -5.35 -0.68 -2.37 119.36 111.78 3i59 n ILE 96 Ca 0.06 -0.28 -0.17 0.00 -0.27 0.00 0.00 62.75 62.09 3i59 n ILE 96 Cb 0.41 1.09 -0.09 0.00 -1.74 0.00 0.00 39.64 39.30 3i59 n ILE 96 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3i59 s THR 97 N -1.97 0.08 0.34 7.28 -4.23 -1.23 -4.74 115.64 111.17 3i59 s THR 97 Ca 0.09 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.32 3i59 s THR 97 Cb 0.11 -2.50 -0.12 0.00 1.34 0.00 0.00 72.50 71.33 3i59 s THR 97 CO 0.44 0.00 1.24 -0.62 -0.54 0.00 0.00 174.62 175.14 3i59 n GLU 98 N -0.52 1.98 -4.46 3.99 4.71 -1.26 -3.79 120.64 121.29 3i59 n GLU 98 Ca 0.04 0.69 -0.22 0.00 -0.01 0.00 0.00 57.16 57.66 3i59 n GLU 98 Cb 0.64 -2.24 -0.16 0.00 -1.01 0.00 0.00 31.44 28.67 3i59 n GLU 98 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3i59 s VAL 99 N -1.09 0.92 -0.07 2.62 1.01 0.29 -4.00 120.40 120.08 3i59 s VAL 99 Ca 0.56 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3i59 s VAL 99 Cb -0.59 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3i59 s VAL 99 CO 0.62 0.30 -0.09 -0.60 0.00 0.00 0.00 175.10 175.33 3i59 s ARG 100 N 0.46 2.79 0.24 2.72 3.52 0.50 -0.54 118.95 128.65 3i59 s ARG 100 Ca -0.09 -0.59 -0.19 0.00 -0.13 0.00 0.00 55.73 54.74 3i59 s ARG 100 Cb -0.12 -2.57 0.02 0.00 -1.56 0.00 0.00 34.95 30.72 3i59 s ARG 100 CO 0.02 0.60 0.61 0.00 -0.81 0.00 0.00 175.30 175.72 3i59 s ALA 101 N -0.64 -1.00 0.15 6.12 0.00 -0.96 -0.63 121.76 124.80 3i59 s ALA 101 Ca 0.10 -0.31 0.09 0.00 0.00 0.00 0.00 51.96 51.84 3i59 s ALA 101 Cb -0.11 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 3i59 s ALA 101 CO 0.02 -0.92 -0.15 0.14 0.00 0.00 0.00 175.76 174.85 3i59 s VAL 102 N -3.91 2.93 0.10 0.00 -7.23 -0.23 -0.36 120.40 111.70 3i59 s VAL 102 Ca 0.12 -1.64 0.07 0.00 -1.81 0.00 0.00 61.98 58.71 3i59 s VAL 102 Cb -0.03 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 3i59 s VAL 102 CO 0.03 -0.02 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.18 3i59 s SER 103 N -2.51 2.20 -0.03 4.85 0.01 -1.26 -0.81 113.70 116.15 3i59 s SER 103 Ca 0.21 -0.70 -0.04 0.00 1.31 0.00 0.00 55.95 56.74 3i59 s SER 103 Cb -0.09 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.04 3i59 s SER 103 CO 0.12 -0.02 0.09 0.00 0.41 0.00 0.00 173.24 173.84 3i59 s MET 104 N -2.06 0.18 0.31 12.44 0.23 -0.67 -4.97 119.30 124.76 3i59 s MET 104 Ca 0.05 -0.01 -0.00 0.00 -1.03 0.00 0.00 55.69 54.70 3i59 s MET 104 Cb -0.09 0.08 0.06 0.00 -1.53 0.00 0.00 34.83 33.36 3i59 s MET 104 CO 0.04 -0.03 0.43 -0.40 -2.03 0.00 0.00 175.02 173.02 3i59 n ASP 105 N 2.67 0.54 -0.16 -1.18 5.68 -1.25 -1.30 116.55 121.55 3i59 n ASP 105 Ca -0.15 -1.46 -0.09 0.00 -0.50 0.00 0.00 54.79 52.58 3i59 n ASP 105 Cb 0.58 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 3i59 n ASP 105 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3i59 h ARG 106 N 0.00 0.74 -0.29 0.11 2.43 -1.95 -1.32 114.38 114.10 3i59 h ARG 106 Ca -0.14 -0.18 0.06 0.00 -0.81 0.00 0.00 59.98 58.90 3i59 h ARG 106 Cb 0.51 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 3i59 h ARG 106 CO 0.15 0.74 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.83 3i59 h ASP 107 N 0.62 -0.28 -0.06 -3.80 3.32 -1.95 0.15 116.42 114.41 3i59 h ASP 107 Ca 0.14 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.29 3i59 h ASP 107 Cb 0.33 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3i59 h ASP 107 CO 0.00 -0.10 -0.01 0.00 -1.72 0.00 0.00 179.24 177.41 3i59 h ALA 108 N 1.27 0.05 -0.54 3.45 0.00 -1.84 -1.22 119.26 120.42 3i59 h ALA 108 Ca 0.14 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3i59 h ALA 108 Cb 0.22 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3i59 h ALA 108 CO -0.30 -0.49 0.36 1.25 0.00 0.00 0.00 179.25 180.07 3i59 h LEU 109 N 0.01 0.58 -0.26 0.00 5.85 -0.88 0.69 115.31 121.29 3i59 h LEU 109 Ca 0.03 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3i59 h LEU 109 Cb 0.04 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3i59 h LEU 109 CO -0.06 0.41 0.05 -0.09 -0.34 0.00 0.00 178.44 178.41 3i59 h ARG 110 N 0.68 0.43 -0.26 1.25 9.65 -0.12 -2.09 114.38 123.92 3i59 h ARG 110 Ca 0.21 -0.12 -0.04 0.00 -1.10 0.00 0.00 59.98 58.93 3i59 h ARG 110 Cb 0.00 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 3i59 h ARG 110 CO -0.05 0.55 0.01 0.77 2.80 0.00 0.00 179.97 184.05 3i59 h SER 111 N 0.25 0.45 -0.70 -3.80 0.02 -0.34 -1.01 113.55 108.42 3i59 h SER 111 Ca 0.08 -0.30 0.15 0.00 -0.84 0.00 0.00 61.79 60.88 3i59 h SER 111 Cb 0.33 -0.12 -0.12 0.00 0.14 0.00 0.00 62.40 62.63 3i59 h SER 111 CO 0.00 0.64 0.00 -0.50 -1.14 0.00 0.00 176.83 175.84 3i59 h TRP 112 N 0.25 -0.05 0.00 3.45 4.06 -0.89 -1.22 115.95 121.55 3i59 h TRP 112 Ca 0.08 0.05 -0.03 0.00 2.06 0.00 0.00 58.89 61.05 3i59 h TRP 112 Cb 0.40 0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.69 3i59 h TRP 112 CO 0.03 -0.21 -0.14 0.82 -3.56 0.00 0.00 178.44 175.39 3i59 h ILE 113 N 0.11 0.30 0.00 1.49 2.04 -0.83 0.40 117.51 121.02 3i59 h ILE 113 Ca 0.37 -1.02 -0.13 0.00 1.00 0.00 0.00 64.86 65.08 3i59 h ILE 113 Cb 0.64 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3i59 h ILE 113 CO -0.61 0.13 -0.63 0.00 0.00 0.00 0.00 178.15 177.05 3i59 h ALA 114 N 1.86 0.89 0.05 1.87 0.00 -0.56 -3.10 119.26 120.27 3i59 h ALA 114 Ca -0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 3i59 h ALA 114 Cb 0.79 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3i59 h ALA 114 CO 0.02 0.78 -0.02 0.22 0.00 0.00 0.00 179.25 180.25 3i59 h ASP 115 N 0.00 -0.06 -4.13 0.00 1.82 0.13 -3.40 116.42 110.78 3i59 h ASP 115 Ca -0.01 -0.48 -0.64 0.00 -0.39 0.00 0.00 57.03 55.51 3i59 h ASP 115 Cb 1.16 0.01 -0.41 0.00 0.68 0.00 0.00 39.33 40.78 3i59 h ASP 115 CO 0.08 0.65 -0.66 -0.13 -1.61 0.00 0.00 179.24 177.57 3i59 s ARG 116 N -2.37 1.78 0.63 0.28 1.81 0.12 -4.97 118.95 116.23 3i59 s ARG 116 Ca -0.11 -2.40 0.36 0.00 -1.72 0.00 0.00 55.73 51.86 3i59 s ARG 116 Cb -0.01 -3.12 2.04 0.00 -0.45 0.00 0.00 34.95 33.41 3i59 s ARG 116 CO 0.40 -1.09 2.25 -1.35 -0.68 0.00 0.00 175.30 174.83 3i59 h PRO 117 N 6.70 0.00 0.00 3.54 0.11 -1.77 -0.60 132.00 139.98 3i59 h PRO 117 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3i59 h PRO 117 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3i59 h PRO 117 CO 0.63 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.57 3i59 n GLU 118 N -3.44 0.15 0.19 1.05 0.00 -1.26 -2.07 120.64 115.27 3i59 n GLU 118 Ca -0.02 0.49 0.03 0.00 0.00 0.00 0.00 57.16 57.66 3i59 n GLU 118 Cb 0.14 -1.86 0.39 0.00 0.00 0.00 0.00 31.44 30.12 3i59 n GLU 118 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3i59 h ILE 119 N 0.00 1.20 -0.09 3.84 2.04 -1.40 -2.91 117.51 120.19 3i59 h ILE 119 Ca 0.00 -1.17 0.01 0.00 1.00 0.00 0.00 64.86 64.70 3i59 h ILE 119 Cb 0.21 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3i59 h ILE 119 CO 0.00 0.33 0.00 0.28 0.00 0.00 0.00 178.15 178.76 3i59 h SER 120 N 0.00 -0.03 -0.86 1.72 0.02 -1.62 -1.98 113.55 110.80 3i59 h SER 120 Ca -0.00 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3i59 h SER 120 Cb 0.61 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 3i59 h SER 120 CO 0.04 0.00 0.54 -0.33 -1.14 0.00 0.00 176.83 175.94 3i59 h GLU 121 N 0.03 0.96 -0.45 3.45 5.08 -1.67 -1.24 114.58 120.74 3i59 h GLU 121 Ca 0.04 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 3i59 h GLU 121 Cb 0.04 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3i59 h GLU 121 CO -0.07 0.63 -0.23 1.96 -1.00 0.00 0.00 179.01 180.31 3i59 h GLN 122 N 0.99 0.93 -0.43 2.33 1.08 -1.37 0.12 115.11 118.75 3i59 h GLN 122 Ca 0.37 -0.40 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 3i59 h GLN 122 Cb 0.15 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3i59 h GLN 122 CO -0.17 1.06 0.16 -0.07 -0.95 0.00 0.00 178.83 178.86 3i59 h LEU 123 N 0.80 0.60 -0.28 1.46 3.38 -1.06 0.47 115.31 120.68 3i59 h LEU 123 Ca 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3i59 h LEU 123 Cb 0.80 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3i59 h LEU 123 CO 0.07 0.62 0.15 -0.07 0.09 0.00 0.00 178.44 179.30 3i59 h LEU 124 N 0.55 0.34 -0.74 1.67 3.38 -0.97 -0.77 115.31 118.76 3i59 h LEU 124 Ca 0.14 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3i59 h LEU 124 Cb 0.21 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3i59 h LEU 124 CO -0.01 0.32 0.45 -0.09 0.09 0.00 0.00 178.44 179.20 3i59 h ARG 125 N 0.34 0.81 -0.12 1.13 2.43 -0.47 -0.71 114.38 117.80 3i59 h ARG 125 Ca 0.10 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3i59 h ARG 125 Cb 0.05 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3i59 h ARG 125 CO -0.02 0.54 0.04 0.28 -1.51 0.00 0.00 179.97 179.30 3i59 h VAL 126 N 0.84 1.16 -0.32 0.20 2.07 0.74 -0.51 116.25 120.43 3i59 h VAL 126 Ca 0.32 -0.50 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 3i59 h VAL 126 Cb 0.13 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3i59 h VAL 126 CO -0.16 0.15 -0.38 -0.07 0.02 0.00 0.00 177.57 177.13 3i59 h LEU 127 N 0.01 0.80 -0.26 2.57 3.38 -1.08 -2.05 115.31 118.68 3i59 h LEU 127 Ca 0.04 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3i59 h LEU 127 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3i59 h LEU 127 CO -0.00 1.09 0.13 0.00 0.09 0.00 0.00 178.44 179.75 3i59 h ALA 128 N 0.95 0.34 -0.79 1.53 0.00 -0.98 -1.17 119.26 119.14 3i59 h ALA 128 Ca 0.05 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.01 3i59 h ALA 128 Cb 0.93 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3i59 h ALA 128 CO 0.09 -0.11 0.52 -0.09 0.00 0.00 0.00 179.25 179.66 3i59 h ARG 129 N 0.30 0.58 -0.10 0.00 2.43 -1.02 -0.02 114.38 116.55 3i59 h ARG 129 Ca 0.09 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 3i59 h ARG 129 Cb 0.10 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3i59 h ARG 129 CO -0.01 0.38 -0.52 0.00 -1.51 0.00 0.00 179.97 178.31 3i59 h ARG 130 N 0.60 0.26 -0.05 0.20 3.08 -0.53 -1.10 114.38 116.84 3i59 h ARG 130 Ca 0.38 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 3i59 h ARG 130 Cb 0.66 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 3i59 h ARG 130 CO -0.15 0.72 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.39 3i59 h LEU 131 N 0.21 0.09 -0.22 3.04 -0.00 -0.31 -2.68 115.31 115.44 3i59 h LEU 131 Ca 0.01 -0.38 0.03 0.00 -0.00 0.00 0.00 57.88 57.53 3i59 h LEU 131 Cb 0.99 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.60 3i59 h LEU 131 CO 0.08 0.46 0.04 -0.09 -0.00 0.00 0.00 178.44 178.93 3i59 h ARG 132 N -0.27 0.12 -0.55 1.13 2.43 -0.80 -1.94 114.38 114.50 3i59 h ARG 132 Ca 0.01 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3i59 h ARG 132 Cb 0.42 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 3i59 h ARG 132 CO 0.01 0.08 0.26 0.00 -1.51 0.00 0.00 179.97 178.81 3i59 h ARG 133 N 0.13 0.48 -0.67 0.20 3.08 -1.25 -2.21 114.38 114.13 3i59 h ARG 133 Ca 0.10 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3i59 h ARG 133 Cb 0.10 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3i59 h ARG 133 CO -0.14 0.31 0.44 1.15 -1.07 0.00 0.00 179.97 180.67 3i59 h THR 134 N 0.49 1.16 -0.11 2.04 2.02 -1.10 -2.24 112.91 115.16 3i59 h THR 134 Ca 0.26 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3i59 h THR 134 Cb 0.21 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.76 3i59 h THR 134 CO -0.20 0.16 -0.21 0.78 0.37 0.00 0.00 175.52 176.42 3i59 h ASN 135 N 0.89 -0.65 0.00 4.18 -0.26 -0.85 -2.04 115.58 116.86 3i59 h ASN 135 Ca 0.25 0.11 0.00 0.00 -0.56 0.00 0.00 56.30 56.10 3i59 h ASN 135 Cb -0.09 0.29 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 3i59 h ASN 135 CO -0.06 -0.26 0.10 0.78 -1.06 0.00 0.00 177.43 176.93 3i59 h ASN 136 N -0.27 0.00 -2.21 5.81 2.35 -0.86 -3.28 115.58 117.12 3i59 h ASN 136 Ca 0.09 0.00 -0.73 0.00 -0.55 0.00 0.00 56.30 55.11 3i59 h ASN 136 Cb 0.41 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 38.46 3i59 h ASN 136 CO -0.27 0.00 0.48 0.59 -1.65 0.00 0.00 177.43 176.58 3i59 n ASN 137 N -2.85 6.44 -4.03 5.81 4.13 -0.77 -4.83 115.26 119.16 3i59 n ASN 137 Ca -0.02 -3.70 -0.43 0.00 1.68 0.00 0.00 54.58 52.10 3i59 n ASN 137 Cb 0.16 -0.96 0.00 0.00 -1.54 0.00 0.00 39.78 37.44 3i59 n ASN 137 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i59 n LEU 138 N -0.17 6.27 -0.18 3.41 -0.00 -1.24 -4.49 117.00 120.60 3i59 n LEU 138 Ca 0.43 -4.75 0.04 0.00 -0.00 0.00 0.00 56.01 51.73 3i59 n LEU 138 Cb 0.31 -1.46 -0.01 0.00 -0.00 0.00 0.00 43.42 42.26 3i59 n LEU 138 CO 0.46 1.32 0.18 0.00 -0.00 0.00 0.00 177.39 179.35 3i59 n ALA 139 N 3.59 2.81 0.17 1.47 0.00 -1.26 -4.22 120.51 123.07 3i59 n ALA 139 Ca 0.35 -0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.42 3i59 n ALA 139 Cb 0.37 -0.31 0.31 0.00 0.00 0.00 0.00 19.45 19.81 3i59 n ALA 139 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i59 h ASP 140 N 0.87 0.00 -0.40 0.00 3.32 -2.02 -3.52 116.42 114.67 3i59 h ASP 140 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 3i59 h ASP 140 Cb 0.29 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3i59 h ASP 140 CO 0.00 0.44 3.18 0.18 -1.72 0.00 0.00 179.24 181.32 3i59 n LEU 141 N -3.96 7.92 0.00 1.55 4.32 -1.26 -5.28 117.00 120.29 3i59 n LEU 141 Ca -0.02 -4.45 0.00 0.00 -0.02 0.00 0.00 56.01 51.52 3i59 n LEU 141 Cb 0.47 -1.53 0.00 0.00 -1.62 0.00 0.00 43.42 40.74 3i59 n LEU 141 CO 0.39 1.76 0.00 -0.90 -1.22 0.00 0.00 177.39 177.42 3i59 n ASP 145 N 3.85 0.00 0.00 -1.43 3.85 -1.26 -5.07 116.55 116.48 3i59 n ASP 145 Ca 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.72 3i59 n ASP 145 Cb 0.29 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 3i59 n ASP 145 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 3i59 n VAL 146 N 0.00 0.00 0.09 2.12 0.24 -1.26 -4.72 118.33 114.80 3i59 n VAL 146 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 3i59 n VAL 146 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 3i59 n VAL 146 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3i59 h PRO 147 N 0.00 0.00 0.00 7.34 0.11 -1.96 -1.82 132.00 135.67 3i59 h PRO 147 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 3i59 h PRO 147 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3i59 h PRO 147 CO 0.00 0.84 -0.51 0.78 -0.21 0.00 0.00 178.00 178.89 3i59 h GLY 148 N 2.61 0.00 1.44 -0.55 0.00 -2.00 -2.39 103.07 102.18 3i59 h GLY 148 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.06 3i59 h GLY 148 CO 0.11 0.00 -1.39 3.21 0.00 0.00 0.00 176.54 178.47 3i59 h ARG 149 N 0.00 0.03 -0.30 4.80 3.08 -1.91 -3.19 114.38 116.89 3i59 h ARG 149 Ca -0.01 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 3i59 h ARG 149 Cb 1.16 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 3i59 h ARG 149 CO 0.07 0.78 -0.21 0.28 -1.07 0.00 0.00 179.97 179.82 3i59 h VAL 150 N 0.01 1.30 -0.46 2.04 2.07 -1.30 -1.43 116.25 118.47 3i59 h VAL 150 Ca -0.16 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.02 3i59 h VAL 150 Cb 1.91 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 3i59 h VAL 150 CO 0.11 0.43 0.30 0.00 0.02 0.00 0.00 177.57 178.43 3i59 h ALA 151 N 0.73 0.59 -0.12 1.67 0.00 -1.55 0.26 119.26 120.84 3i59 h ALA 151 Ca 0.06 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3i59 h ALA 151 Cb 0.75 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3i59 h ALA 151 CO 0.06 0.03 -0.10 -0.22 0.00 0.00 0.00 179.25 179.02 3i59 h LYS 152 N 0.62 -0.11 -0.25 0.00 3.64 -1.52 0.80 116.57 119.75 3i59 h LYS 152 Ca 0.17 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3i59 h LYS 152 Cb -0.07 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3i59 h LYS 152 CO -0.04 -0.07 0.01 1.96 -2.27 0.00 0.00 179.45 179.04 3i59 h GLN 153 N -0.12 0.10 -0.81 1.90 1.08 -0.71 0.22 115.11 116.77 3i59 h GLN 153 Ca 0.08 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.37 3i59 h GLN 153 Cb 0.23 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.57 3i59 h GLN 153 CO -0.19 0.06 0.45 -0.07 -0.95 0.00 0.00 178.83 178.14 3i59 h LEU 154 N 0.10 0.63 -0.46 1.46 3.38 -0.02 0.19 115.31 120.60 3i59 h LEU 154 Ca 0.12 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 3i59 h LEU 154 Cb 0.15 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3i59 h LEU 154 CO -0.19 0.35 -0.14 -0.07 0.09 0.00 0.00 178.44 178.48 3i59 h LEU 155 N 0.75 0.92 -1.20 1.67 3.38 -0.08 0.25 115.31 121.01 3i59 h LEU 155 Ca 0.40 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3i59 h LEU 155 Cb 0.40 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3i59 h LEU 155 CO -0.26 1.09 -0.21 1.56 0.09 0.00 0.00 178.44 180.70 3i59 h GLN 156 N 0.75 0.30 -0.02 1.13 1.08 0.22 -0.71 115.11 117.86 3i59 h GLN 156 Ca 0.11 -0.09 -0.13 0.00 -1.45 0.00 0.00 58.65 57.09 3i59 h GLN 156 Cb 0.70 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 3i59 h GLN 156 CO 0.05 0.50 -0.61 -0.07 -0.95 0.00 0.00 178.83 177.75 3i59 h LEU 157 N 0.27 0.07 -0.55 1.46 3.38 -0.35 -3.15 115.31 116.45 3i59 h LEU 157 Ca 0.05 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3i59 h LEU 157 Cb 0.53 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3i59 h LEU 157 CO 0.04 0.66 0.11 0.00 0.09 0.00 0.00 178.44 179.34 3i59 h ALA 158 N 1.34 0.72 -0.53 1.53 0.00 0.53 -2.51 119.26 120.34 3i59 h ALA 158 Ca -0.01 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 3i59 h ALA 158 Cb 1.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3i59 h ALA 158 CO 0.08 0.45 -0.14 1.96 0.00 0.00 0.00 179.25 181.60 3i59 h GLN 159 N 0.79 1.03 -0.06 0.00 4.20 -1.37 0.10 115.11 119.80 3i59 h GLN 159 Ca 0.17 -0.40 -0.19 0.00 0.06 0.00 0.00 58.65 58.28 3i59 h GLN 159 Cb 0.38 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.11 3i59 h GLN 159 CO 0.01 1.09 -0.72 -0.09 -0.67 0.00 0.00 178.83 178.44 3i59 h ARG 160 N 0.91 0.59 0.00 1.46 9.65 -1.53 -3.38 114.38 122.08 3i59 h ARG 160 Ca 0.13 -0.56 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 3i59 h ARG 160 Cb 0.72 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.44 3i59 h ARG 160 CO 0.05 1.18 -0.04 1.19 2.80 0.00 0.00 179.97 185.16 3i59 n PHE 161 N -4.08 0.00 -2.21 2.20 3.72 -0.95 -5.08 117.46 111.06 3i59 n PHE 161 Ca -0.09 -0.40 -0.32 0.00 -0.05 0.00 0.00 57.45 56.59 3i59 n PHE 161 Cb 0.72 -0.05 -0.01 0.00 -0.94 0.00 0.00 39.48 39.20 3i59 n PHE 161 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3i59 s GLY 162 N -0.99 2.03 0.00 1.37 0.00 0.35 -4.08 107.32 105.99 3i59 s GLY 162 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.98 3i59 s GLY 162 CO 0.00 0.50 0.00 -1.30 0.00 0.00 0.00 173.10 172.30 3i59 n THR 163 N -1.89 0.00 -0.43 0.90 -2.24 -1.26 -4.97 114.28 104.40 3i59 n THR 163 Ca 0.07 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.70 3i59 n THR 163 Cb 0.54 1.41 0.12 0.00 -2.10 0.00 0.00 70.33 70.29 3i59 n THR 163 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i59 n LEU 169 N 0.00 5.38 -4.65 3.22 4.32 -1.26 -5.11 117.00 118.90 3i59 n LEU 169 Ca 0.00 -2.84 -0.42 0.00 -0.02 0.00 0.00 56.01 52.73 3i59 n LEU 169 Cb 0.18 -0.72 -0.03 0.00 -1.62 0.00 0.00 43.42 41.24 3i59 n LEU 169 CO 0.00 0.85 1.42 0.00 -1.22 0.00 0.00 177.39 178.43 3i59 s ARG 170 N -2.12 4.08 -0.54 3.23 1.70 -1.26 -3.82 118.95 120.23 3i59 s ARG 170 Ca 0.37 2.16 -0.04 0.00 -0.47 0.00 0.00 55.73 57.75 3i59 s ARG 170 Cb 0.31 -4.03 0.14 0.00 -0.57 0.00 0.00 34.95 30.80 3i59 s ARG 170 CO 0.07 -0.97 0.36 0.08 -1.08 0.00 0.00 175.30 173.76 3i59 s VAL 171 N 4.41 3.69 -0.98 4.99 1.01 0.34 -4.47 120.40 129.38 3i59 s VAL 171 Ca 0.76 -2.49 -0.23 0.00 0.00 0.00 0.00 61.98 60.01 3i59 s VAL 171 Cb -0.33 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.64 3i59 s VAL 171 CO 0.31 -0.81 1.49 -0.89 0.00 0.00 0.00 175.10 175.21 3i59 s THR 172 N 0.53 3.85 -1.05 3.92 2.01 -1.26 -2.42 115.64 121.23 3i59 s THR 172 Ca 0.13 -0.63 0.23 0.00 0.31 0.00 0.00 61.69 61.73 3i59 s THR 172 Cb -0.21 -4.93 -0.10 0.00 0.01 0.00 0.00 72.50 67.27 3i59 s THR 172 CO -0.04 -1.83 1.18 0.00 -0.69 0.00 0.00 174.62 173.24 3i59 n HIS 173 N 9.47 0.00 -1.94 4.92 1.44 -1.05 -4.93 115.22 123.12 3i59 n HIS 173 Ca 0.31 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.94 3i59 n HIS 173 Cb 0.50 -0.13 -0.02 0.00 0.12 0.00 0.00 29.99 30.47 3i59 n HIS 173 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i59 n ASP 174 N -1.44 -2.77 -4.97 4.39 8.00 0.24 -4.92 116.55 115.08 3i59 n ASP 174 Ca 0.05 0.25 -0.21 0.00 0.71 0.00 0.00 54.79 55.59 3i59 n ASP 174 Cb 0.34 -2.53 -0.01 0.00 -0.02 0.00 0.00 41.12 38.89 3i59 n ASP 174 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i59 s LEU 175 N -4.47 4.09 0.37 0.64 1.43 -1.24 -4.91 118.68 114.60 3i59 s LEU 175 Ca 0.00 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 3i59 s LEU 175 Cb 0.00 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.26 3i59 s LEU 175 CO 0.00 -0.28 0.58 -0.89 0.23 0.00 0.00 176.35 175.98 3i59 s THR 176 N -2.15 4.77 0.07 5.49 2.01 -1.26 -4.57 115.64 119.99 3i59 s THR 176 Ca 0.40 -0.50 -0.20 0.00 0.31 0.00 0.00 61.69 61.70 3i59 s THR 176 Cb -0.09 -3.74 -0.10 0.00 0.01 0.00 0.00 72.50 68.57 3i59 s THR 176 CO 0.32 -0.48 1.52 0.06 -0.69 0.00 0.00 174.62 175.35 3i59 h GLN 177 N 0.67 0.34 -0.42 4.92 -0.00 -1.98 0.94 115.11 119.58 3i59 h GLN 177 Ca -0.49 -0.10 0.04 0.00 -0.00 0.00 0.00 58.65 58.11 3i59 h GLN 177 Cb 1.23 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.48 28.63 3i59 h GLN 177 CO 0.60 0.52 0.18 1.05 -0.00 0.00 0.00 178.83 181.18 3i59 h GLU 178 N 0.11 0.36 -0.76 0.06 -0.00 -1.97 0.63 114.58 113.02 3i59 h GLU 178 Ca 0.06 -0.02 0.06 0.00 -0.00 0.00 0.00 59.36 59.46 3i59 h GLU 178 Cb 0.36 -0.08 -0.05 0.00 -0.00 0.00 0.00 28.75 28.98 3i59 h GLU 178 CO 0.01 0.24 0.50 0.93 -0.00 0.00 0.00 179.01 180.68 3i59 h GLU 179 N 0.37 0.79 -0.47 1.06 5.08 -1.85 0.18 114.58 119.74 3i59 h GLU 179 Ca 0.19 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 3i59 h GLU 179 Cb 0.14 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3i59 h GLU 179 CO -0.16 0.52 -0.16 0.82 -1.00 0.00 0.00 179.01 179.03 3i59 h ILE 180 N 0.81 1.27 -0.06 3.13 2.04 0.20 -1.14 117.51 123.76 3i59 h ILE 180 Ca 0.32 -1.30 -0.10 0.00 1.00 0.00 0.00 64.86 64.78 3i59 h ILE 180 Cb 0.23 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3i59 h ILE 180 CO -0.11 0.45 -0.42 0.00 0.00 0.00 0.00 178.15 178.07 3i59 h ALA 181 N 0.87 1.19 -0.00 1.87 0.00 -0.19 -1.13 119.26 121.86 3i59 h ALA 181 Ca 0.11 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 3i59 h ALA 181 Cb 0.72 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3i59 h ALA 181 CO 0.05 0.57 -0.52 1.96 0.00 0.00 0.00 179.25 181.32 3i59 h GLN 182 N 0.11 0.01 -0.19 0.00 4.20 -0.38 0.22 115.11 119.09 3i59 h GLN 182 Ca 0.01 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 3i59 h GLN 182 Cb 0.79 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 3i59 h GLN 182 CO 0.06 0.53 -0.46 1.25 -0.67 0.00 0.00 178.83 179.54 3i59 h LEU 183 N 0.01 0.52 0.08 1.46 5.85 -0.52 -1.96 115.31 120.74 3i59 h LEU 183 Ca -0.00 -0.25 -0.27 0.00 0.84 0.00 0.00 57.88 58.20 3i59 h LEU 183 Cb 0.92 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.81 3i59 h LEU 183 CO 0.07 0.91 -1.20 0.58 -0.34 0.00 0.00 178.44 178.46 3i59 h VAL 184 N 0.39 1.47 -1.70 1.05 2.07 -0.49 -3.46 116.25 115.59 3i59 h VAL 184 Ca 0.02 -2.94 -0.10 0.00 0.82 0.00 0.00 66.70 64.50 3i59 h VAL 184 Cb 0.96 2.86 0.02 0.00 -1.52 0.00 0.00 31.29 33.61 3i59 h VAL 184 CO 0.08 0.86 -0.16 0.61 0.02 0.00 0.00 177.57 178.99 3i59 n GLY 185 N 1.43 0.43 3.17 2.17 0.00 0.72 -5.02 105.19 108.09 3i59 n GLY 185 Ca -0.08 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 3i59 n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i59 s ALA 186 N -2.79 1.05 0.57 4.61 0.00 -1.14 -5.08 121.76 118.97 3i59 s ALA 186 Ca 0.10 -1.26 -0.18 0.00 0.00 0.00 0.00 51.96 50.62 3i59 s ALA 186 Cb -0.04 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.08 3i59 s ALA 186 CO 0.12 -0.13 0.47 -1.13 0.00 0.00 0.00 175.76 175.09 3i59 n SER 187 N 0.29 -1.28 0.10 0.00 3.41 -1.26 -4.58 113.62 110.30 3i59 n SER 187 Ca -0.14 0.72 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 3i59 n SER 187 Cb 0.59 -1.15 0.62 0.00 -0.26 0.00 0.00 64.21 64.02 3i59 n SER 187 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3i59 h ARG 188 N 0.19 0.09 0.00 4.33 3.08 -1.94 -2.42 114.38 117.71 3i59 h ARG 188 Ca -0.45 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3i59 h ARG 188 Cb 1.40 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.43 3i59 h ARG 188 CO 0.46 0.06 0.00 0.39 -1.07 0.00 0.00 179.97 179.81 3i59 n GLU 189 N -4.47 0.00 -0.26 0.04 -0.58 -1.26 -0.26 120.64 113.85 3i59 n GLU 189 Ca 0.04 0.40 0.02 0.00 -0.42 0.00 0.00 57.16 57.20 3i59 n GLU 189 Cb 0.32 -1.38 0.10 0.00 -0.57 0.00 0.00 31.44 29.91 3i59 n GLU 189 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3i59 h THR 190 N 0.00 0.25 -0.21 2.62 1.35 -1.92 -1.28 112.91 113.71 3i59 h THR 190 Ca 0.00 -0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.83 3i59 h THR 190 Cb 0.00 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 66.65 3i59 h THR 190 CO 0.00 0.00 0.04 0.58 -0.25 0.00 0.00 175.52 175.89 3i59 h VAL 191 N 0.01 1.22 -0.31 6.82 2.07 -1.41 -0.26 116.25 124.40 3i59 h VAL 191 Ca 0.38 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 67.19 3i59 h VAL 191 Cb 0.59 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3i59 h VAL 191 CO -0.77 0.23 0.21 0.78 0.02 0.00 0.00 177.57 178.04 3i59 h ASN 192 N 0.15 0.23 0.58 0.57 2.35 -0.19 -1.50 115.58 117.76 3i59 h ASN 192 Ca 0.06 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3i59 h ASN 192 Cb 0.31 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.63 3i59 h ASN 192 CO 0.00 0.16 -0.28 0.11 -1.65 0.00 0.00 177.43 175.77 3i59 h LYS 193 N 0.27 -0.75 -0.81 0.81 6.56 -0.05 -2.79 116.57 119.82 3i59 h LYS 193 Ca 0.13 0.05 0.17 0.00 -1.06 0.00 0.00 60.65 59.94 3i59 h LYS 193 Cb 0.19 0.17 -0.11 0.00 -0.57 0.00 0.00 32.23 31.91 3i59 h LYS 193 CO -0.03 -0.44 0.31 0.00 -2.06 0.00 0.00 179.45 177.23 3i59 h ALA 194 N -0.90 1.17 0.00 3.86 0.00 -0.83 0.31 119.26 122.88 3i59 h ALA 194 Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i59 h ALA 194 Cb 0.65 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3i59 h ALA 194 CO 0.13 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.39 3i59 n LEU 195 N -5.04 0.00 -0.09 0.00 4.77 -0.59 -1.53 117.00 114.52 3i59 n LEU 195 Ca 0.17 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.04 3i59 n LEU 195 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 3i59 n LEU 195 CO 0.15 0.00 -1.06 0.00 -1.33 0.00 0.00 177.39 175.15 3i59 n ALA 196 N -0.62 1.62 0.14 -1.18 0.00 0.10 -4.20 120.51 116.37 3i59 n ALA 196 Ca 0.05 -0.82 0.01 0.00 0.00 0.00 0.00 53.44 52.68 3i59 n ALA 196 Cb 0.02 0.04 0.34 0.00 0.00 0.00 0.00 19.45 19.86 3i59 n ALA 196 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3i59 h ASP 197 N 0.00 0.15 -0.08 0.00 -0.00 -0.79 -0.10 116.42 115.60 3i59 h ASP 197 Ca -0.40 -0.05 -0.25 0.00 -0.00 0.00 0.00 57.03 56.34 3i59 h ASP 197 Cb 1.70 -0.04 0.02 0.00 -0.00 0.00 0.00 39.33 41.00 3i59 h ASP 197 CO -0.04 0.44 -0.92 -0.26 -0.00 0.00 0.00 179.24 178.46 3i59 h PHE 198 N 0.14 1.07 0.54 4.15 0.05 -1.52 -2.51 116.94 118.86 3i59 h PHE 198 Ca 0.02 -0.53 -0.03 0.00 3.82 0.00 0.00 57.97 61.26 3i59 h PHE 198 Cb 0.58 -0.14 0.01 0.00 2.00 0.00 0.00 35.95 38.39 3i59 h PHE 198 CO 0.01 1.37 -0.26 0.00 -0.18 0.00 0.00 178.31 179.24 3i59 h ALA 199 N 0.47 -0.72 -0.80 2.45 0.00 -1.58 -2.40 119.26 116.69 3i59 h ALA 199 Ca -0.09 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.82 3i59 h ALA 199 Cb 1.56 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 19.50 3i59 h ALA 199 CO 0.18 -0.80 0.11 1.12 0.00 0.00 0.00 179.25 179.87 3i59 h HIS 200 N -0.94 0.13 0.00 0.00 2.07 -1.10 0.15 115.15 115.47 3i59 h HIS 200 Ca -0.07 0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 3i59 h HIS 200 Cb 0.62 0.07 0.00 0.00 2.57 0.00 0.00 27.41 30.67 3i59 h HIS 200 CO -0.00 -0.21 0.00 2.89 -3.07 0.00 0.00 177.93 177.54 3i59 n ARG 201 N -5.28 0.04 -0.04 5.12 1.85 -0.94 -4.88 116.66 112.53 3i59 n ARG 201 Ca 0.16 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 57.22 3i59 n ARG 201 Cb 0.54 -1.57 0.00 0.00 -1.05 0.00 0.00 32.46 30.39 3i59 n ARG 201 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i59 n GLY 202 N 0.47 0.38 0.00 2.89 0.00 0.52 -5.01 105.19 104.44 3i59 n GLY 202 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3i59 n GLY 202 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i59 n TRP 203 N -2.00 0.00 -3.54 1.61 8.01 -0.92 -4.49 117.44 116.11 3i59 n TRP 203 Ca 0.00 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 55.93 3i59 n TRP 203 Cb 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.27 3i59 n TRP 203 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3i59 s ILE 204 N -0.83 5.14 -0.27 -0.99 -1.09 -1.21 0.41 121.20 122.36 3i59 s ILE 204 Ca 0.00 -0.34 -0.02 0.00 -2.23 0.00 0.00 60.65 58.06 3i59 s ILE 204 Cb 0.00 -3.78 0.09 0.00 -1.58 0.00 0.00 42.46 37.19 3i59 s ILE 204 CO 0.00 -0.33 0.08 -0.13 -1.23 0.00 0.00 174.94 173.33 3i59 s ARG 205 N -3.70 0.69 -0.34 2.79 0.52 0.36 -3.63 118.95 115.63 3i59 s ARG 205 Ca 0.40 -0.84 -0.28 0.00 -0.52 0.00 0.00 55.73 54.48 3i59 s ARG 205 Cb -0.10 -1.96 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 3i59 s ARG 205 CO 0.31 -0.88 1.78 -0.51 0.02 0.00 0.00 175.30 176.02 3i59 s LEU 206 N 1.72 3.50 -0.44 2.53 1.02 -1.26 -3.27 118.68 122.48 3i59 s LEU 206 Ca 0.06 1.25 0.02 0.00 0.02 0.00 0.00 54.13 55.48 3i59 s LEU 206 Cb -0.17 -3.48 0.13 0.00 0.02 0.00 0.00 46.19 42.69 3i59 s LEU 206 CO -0.21 -1.71 0.23 -1.61 0.02 0.00 0.00 176.35 173.07 3i59 s GLU 207 N 5.66 1.37 3.04 1.70 2.02 -1.26 -5.04 118.70 126.19 3i59 s GLU 207 Ca 0.78 -2.06 0.00 0.00 0.02 0.00 0.00 54.97 53.72 3i59 s GLU 207 Cb -0.22 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.53 3i59 s GLU 207 CO 0.33 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.88 3i59 n GLY 208 N 3.54 -0.35 1.02 -1.39 0.00 -1.26 -3.51 105.19 103.25 3i59 n GLY 208 Ca 0.07 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3i59 n GLY 208 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i59 n LYS 209 N 0.00 1.00 -0.31 1.61 0.00 -1.26 -4.78 118.16 114.41 3i59 n LYS 209 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3i59 n LYS 209 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 35.03 34.03 3i59 n LYS 209 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3i59 n SER 210 N 0.55 0.38 -3.62 3.14 3.41 -1.23 -0.59 113.62 115.66 3i59 n SER 210 Ca 0.00 -0.16 -0.04 0.00 -0.26 0.00 0.00 58.87 58.41 3i59 n SER 210 Cb 0.50 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 3i59 n SER 210 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i59 s VAL 211 N -0.80 0.00 -0.05 -3.33 0.11 -1.02 -4.01 120.40 111.30 3i59 s VAL 211 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 3i59 s VAL 211 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 3i59 s VAL 211 CO 0.00 0.00 -0.05 -0.76 -3.33 0.00 0.00 175.10 170.96 3i59 s LEU 212 N -1.41 1.30 0.63 2.54 1.02 -1.20 -0.50 118.68 121.05 3i59 s LEU 212 Ca 0.07 -0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.10 3i59 s LEU 212 Cb -0.01 -0.49 0.09 0.00 0.02 0.00 0.00 46.19 45.80 3i59 s LEU 212 CO -0.05 -0.06 0.87 -0.63 0.02 0.00 0.00 176.35 176.51 3i59 s ILE 213 N 0.99 2.32 0.00 -0.59 -1.09 -1.25 -0.49 121.20 121.09 3i59 s ILE 213 Ca -0.10 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 57.61 3i59 s ILE 213 Cb -0.14 -2.61 0.00 0.00 -1.58 0.00 0.00 42.46 38.13 3i59 s ILE 213 CO -0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 174.94 172.17 3i59 n SER 214 N -2.54 3.82 0.00 3.58 3.41 0.17 -4.78 113.62 117.28 3i59 n SER 214 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 3i59 n SER 214 Cb 0.60 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 3i59 n SER 214 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98