#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iq0 n LEU 2 N 0.00 0.44 -0.22 -0.89 -0.00 -1.26 -4.62 117.00 110.45 1iq0 n LEU 2 Ca 0.00 0.26 -0.06 0.00 -0.00 0.00 0.00 56.01 56.20 1iq0 n LEU 2 Cb 0.00 0.01 0.04 0.00 -0.00 0.00 0.00 43.42 43.47 1iq0 n LEU 2 CO 0.00 -0.73 1.07 0.03 -0.00 0.00 0.00 177.39 177.76 1iq0 h ARG 3 N 0.00 0.87 -0.25 1.96 3.08 -2.00 -1.12 114.38 116.93 1iq0 h ARG 3 Ca 0.00 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.81 1iq0 h ARG 3 Cb 0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1iq0 h ARG 3 CO 0.00 0.66 -0.41 0.00 -1.07 0.00 0.00 179.97 179.15 1iq0 h ARG 4 N 0.85 0.60 -0.35 0.04 2.47 -1.97 -1.59 114.38 114.42 1iq0 h ARG 4 Ca 0.22 -0.31 -0.03 0.00 -1.26 0.00 0.00 59.98 58.60 1iq0 h ARG 4 Cb 0.04 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1iq0 h ARG 4 CO -0.04 0.90 0.08 0.00 0.56 0.00 0.00 179.97 181.48 1iq0 h ALA 5 N 1.06 1.49 -0.23 0.04 0.00 -1.74 0.13 119.26 120.01 1iq0 h ALA 5 Ca 0.04 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 1iq0 h ALA 5 Cb 0.93 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1iq0 h ALA 5 CO 0.08 0.38 -0.63 1.25 0.00 0.00 0.00 179.25 180.33 1iq0 h LEU 6 N 0.51 0.92 -0.75 0.00 5.85 -0.74 -1.97 115.31 119.12 1iq0 h LEU 6 Ca 0.12 -0.53 -0.12 0.00 0.84 0.00 0.00 57.88 58.19 1iq0 h LEU 6 Cb 0.20 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1iq0 h LEU 6 CO -0.00 1.32 -0.33 -0.33 -0.34 0.00 0.00 178.44 178.76 1iq0 h GLU 7 N 0.59 0.58 -0.30 1.25 5.08 -0.65 -1.83 114.58 119.30 1iq0 h GLU 7 Ca -0.01 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1iq0 h GLU 7 Cb 1.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1iq0 h GLU 7 CO 0.13 0.83 0.10 1.49 -1.00 0.00 0.00 179.01 180.57 1iq0 h GLU 8 N 0.49 0.46 -0.22 2.33 4.57 -0.66 0.55 114.58 122.09 1iq0 h GLU 8 Ca 0.06 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1iq0 h GLU 8 Cb 0.81 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1iq0 h GLU 8 CO 0.07 0.50 -0.04 0.00 -1.18 0.00 0.00 179.01 178.36 1iq0 h ALA 9 N 0.94 1.53 -0.13 2.92 0.00 -1.20 -1.48 119.26 121.84 1iq0 h ALA 9 Ca 0.10 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1iq0 h ALA 9 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1iq0 h ALA 9 CO -0.00 0.34 -0.46 0.82 0.00 0.00 0.00 179.25 179.95 1iq0 h ILE 10 N 0.32 1.36 0.42 0.00 2.04 -0.93 -2.64 117.51 118.08 1iq0 h ILE 10 Ca 0.07 -1.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.17 1iq0 h ILE 10 Cb 0.28 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1iq0 h ILE 10 CO 0.01 0.53 -0.30 0.00 0.00 0.00 0.00 178.15 178.39 1iq0 h ALA 11 N 0.51 -0.71 -0.94 1.87 0.00 -0.58 0.36 119.26 119.78 1iq0 h ALA 11 Ca -0.02 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 54.96 1iq0 h ALA 11 Cb 1.09 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 1iq0 h ALA 11 CO 0.10 -0.92 0.61 0.37 0.00 0.00 0.00 179.25 179.41 1iq0 h GLN 12 N -0.70 0.50 -0.00 0.00 5.75 -1.35 0.25 115.11 119.54 1iq0 h GLN 12 Ca -0.04 -0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 58.28 1iq0 h GLN 12 Cb 0.59 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 1iq0 h GLN 12 CO 0.02 0.33 -0.69 0.00 -2.65 0.00 0.00 178.83 175.84 1iq0 h ALA 13 N 1.61 0.85 0.00 3.38 0.00 -0.97 -3.04 119.26 121.08 1iq0 h ALA 13 Ca 0.50 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1iq0 h ALA 13 Cb 1.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1iq0 h ALA 13 CO -0.23 0.85 -0.60 -0.07 0.00 0.00 0.00 179.25 179.21 1iq0 h LEU 14 N 0.02 0.00 -0.39 0.00 3.38 0.16 -3.10 115.31 115.38 1iq0 h LEU 14 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1iq0 h LEU 14 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1iq0 h LEU 14 CO 0.09 0.60 -0.68 0.11 0.09 0.00 0.00 178.44 178.65 1iq0 h LYS 15 N 0.00 0.54 0.00 1.13 1.57 -1.24 -2.73 116.57 115.84 1iq0 h LYS 15 Ca -0.01 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1iq0 h LYS 15 Cb 1.13 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1iq0 h LYS 15 CO 0.08 1.03 0.00 0.39 -0.57 0.00 0.00 179.45 180.38 1iq0 n GLU 16 N -3.90 0.62 -0.00 3.15 1.02 -1.16 -2.19 120.64 118.18 1iq0 n GLU 16 Ca -0.05 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.12 1iq0 n GLU 16 Cb 0.68 -1.41 -0.04 0.00 -0.02 0.00 0.00 31.44 30.65 1iq0 n GLU 16 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1iq0 n MET 17 N -0.91 0.25 0.00 3.49 2.81 -1.11 -5.06 117.12 116.59 1iq0 n MET 17 Ca 0.12 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1iq0 n MET 17 Cb 0.06 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1iq0 n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iq0 n GLY 18 N 2.21 2.14 3.57 3.03 0.00 -0.93 -5.09 105.19 110.11 1iq0 n GLY 18 Ca -0.01 -0.43 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 1iq0 n GLY 18 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1iq0 n VAL 19 N 0.00 0.36 -1.37 1.61 0.24 -1.18 -4.75 118.33 113.24 1iq0 n VAL 19 Ca 0.00 -0.36 -0.23 0.00 -2.04 0.00 0.00 64.34 61.71 1iq0 n VAL 19 Cb 0.00 -2.25 -0.08 0.00 -1.47 0.00 0.00 33.84 30.03 1iq0 n VAL 19 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1iq0 n PRO 20 N 8.33 2.30 -4.19 7.34 -0.02 -1.26 -3.52 135.00 143.98 1iq0 n PRO 20 Ca 0.31 -2.01 -0.29 0.00 -2.02 0.00 0.00 63.50 59.49 1iq0 n PRO 20 Cb 0.37 -2.10 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 1iq0 n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1iq0 s VAL 21 N -1.46 3.63 -0.18 -1.45 0.11 -1.26 -5.04 120.40 114.75 1iq0 s VAL 21 Ca 0.61 -1.23 -0.06 0.00 -2.93 0.00 0.00 61.98 58.36 1iq0 s VAL 21 Cb 0.37 -2.74 -0.04 0.00 -1.53 0.00 0.00 36.38 32.44 1iq0 s VAL 21 CO -0.17 0.06 0.04 -0.60 -3.33 0.00 0.00 175.10 171.10 1iq0 s ARG 22 N -2.42 3.88 0.02 1.54 3.52 -1.26 -4.81 118.95 119.42 1iq0 s ARG 22 Ca 0.24 -0.40 0.01 0.00 -0.13 0.00 0.00 55.73 55.46 1iq0 s ARG 22 Cb -0.11 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 1iq0 s ARG 22 CO 0.16 0.24 0.03 -0.51 -0.81 0.00 0.00 175.30 174.41 1iq0 s LEU 23 N 0.44 3.65 -0.08 -0.88 1.43 -1.26 -5.11 118.68 116.87 1iq0 s LEU 23 Ca 0.01 0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 1iq0 s LEU 23 Cb -0.13 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 1iq0 s LEU 23 CO 0.01 0.25 0.32 -0.54 0.23 0.00 0.00 176.35 176.63 1iq0 s LYS 24 N -1.79 3.95 0.21 1.70 -0.14 -1.26 -4.86 119.74 117.55 1iq0 s LYS 24 Ca 0.22 0.20 -0.06 0.00 -1.36 0.00 0.00 55.97 54.98 1iq0 s LYS 24 Cb -0.12 -3.29 -0.06 0.00 -1.68 0.00 0.00 37.83 32.68 1iq0 s LYS 24 CO 0.14 0.54 0.47 0.54 -0.76 0.00 0.00 175.35 176.28 1iq0 s VAL 25 N -0.49 5.06 0.12 3.17 0.11 -1.26 -4.48 120.40 122.62 1iq0 s VAL 25 Ca 0.20 0.13 -0.09 0.00 -2.93 0.00 0.00 61.98 59.29 1iq0 s VAL 25 Cb -0.14 -3.66 -0.00 0.00 -1.53 0.00 0.00 36.38 31.04 1iq0 s VAL 25 CO 0.08 -0.11 0.23 0.00 -3.33 0.00 0.00 175.10 171.97 1iq0 s ALA 26 N -1.83 -0.14 0.20 1.54 0.00 -0.50 -4.96 121.76 116.07 1iq0 s ALA 26 Ca 0.43 -0.72 -0.33 0.00 0.00 0.00 0.00 51.96 51.35 1iq0 s ALA 26 Cb -0.11 0.64 -0.13 0.00 0.00 0.00 0.00 23.12 23.52 1iq0 s ALA 26 CO 0.25 -0.56 1.63 0.54 0.00 0.00 0.00 175.76 177.62 1iq0 n ARG 27 N -0.12 2.45 -1.67 0.00 5.12 -1.26 -0.97 116.66 120.21 1iq0 n ARG 27 Ca -0.12 0.88 -0.32 0.00 -1.93 0.00 0.00 57.85 56.37 1iq0 n ARG 27 Cb 0.63 -2.68 0.05 0.00 -1.16 0.00 0.00 32.46 29.29 1iq0 n ARG 27 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iq0 s ALA 28 N 0.87 2.57 0.71 7.54 0.00 0.78 -4.74 121.76 129.49 1iq0 s ALA 28 Ca 0.75 0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 1iq0 s ALA 28 Cb -0.59 -3.24 -0.13 0.00 0.00 0.00 0.00 23.12 19.16 1iq0 s ALA 28 CO 0.37 -1.23 -0.27 -2.30 0.00 0.00 0.00 175.76 172.33 1iq0 n PRO 29 N -2.78 0.04 -1.60 0.00 -0.02 -1.26 -4.73 135.00 124.64 1iq0 n PRO 29 Ca 0.09 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.18 1iq0 n PRO 29 Cb 0.53 -1.13 -0.03 0.00 -0.02 0.00 0.00 33.50 32.85 1iq0 n PRO 29 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1iq0 s LYS 30 N -1.63 2.80 -1.08 -0.52 1.02 -1.26 -2.86 119.74 116.21 1iq0 s LYS 30 Ca 0.52 1.81 -0.05 0.00 0.02 0.00 0.00 55.97 58.27 1iq0 s LYS 30 Cb -0.36 -4.44 -0.06 0.00 -0.52 0.00 0.00 37.83 32.45 1iq0 s LYS 30 CO 0.71 -2.48 0.93 -0.25 -0.92 0.00 0.00 175.35 173.34 1iq0 n ASP 31 N 13.03 -5.82 -2.69 2.83 8.00 -1.26 -5.04 116.55 125.59 1iq0 n ASP 31 Ca 0.32 -0.70 -0.12 0.00 0.71 0.00 0.00 54.79 55.00 1iq0 n ASP 31 Cb 0.48 -5.18 -0.03 0.00 -0.02 0.00 0.00 41.12 36.37 1iq0 n ASP 31 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1iq0 n LYS 32 N -3.40 0.96 -1.53 -1.24 4.01 -1.14 -5.03 118.16 110.79 1iq0 n LYS 32 Ca -0.11 -1.54 -0.13 0.00 -0.51 0.00 0.00 58.31 56.02 1iq0 n LYS 32 Cb 0.63 0.72 -0.10 0.00 -0.51 0.00 0.00 35.03 35.77 1iq0 n LYS 32 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1iq0 n PRO 33 N -0.44 0.16 0.00 1.97 -0.02 -1.26 -4.74 135.00 130.66 1iq0 n PRO 33 Ca -0.04 -1.41 0.00 0.00 -2.02 0.00 0.00 63.50 60.02 1iq0 n PRO 33 Cb 0.27 -3.65 0.00 0.00 -0.02 0.00 0.00 33.50 30.10 1iq0 n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iq0 n GLY 34 N 6.12 1.13 0.09 -1.23 0.00 -1.26 -4.46 105.19 105.58 1iq0 n GLY 34 Ca 0.39 -2.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 1iq0 n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iq0 n ASP 35 N 0.00 2.17 -4.20 1.61 8.00 0.54 -4.67 116.55 120.01 1iq0 n ASP 35 Ca 0.00 -0.08 -0.20 0.00 0.71 0.00 0.00 54.79 55.22 1iq0 n ASP 35 Cb 0.00 -0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 40.94 1iq0 n ASP 35 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1iq0 s TYR 36 N -2.39 1.35 0.08 1.24 1.51 -0.93 -0.16 117.35 118.06 1iq0 s TYR 36 Ca -0.22 -0.46 -0.09 0.00 -1.01 0.00 0.00 57.07 55.29 1iq0 s TYR 36 Cb 0.06 -0.75 0.00 0.00 -0.11 0.00 0.00 41.96 41.16 1iq0 s TYR 36 CO 0.50 0.09 0.20 0.20 -1.11 0.00 0.00 175.55 175.44 1iq0 s GLY 37 N -1.81 0.05 -0.05 0.71 0.00 -0.14 0.15 107.32 106.23 1iq0 s GLY 37 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 44.72 44.27 1iq0 s GLY 37 CO 0.03 -0.68 -0.15 0.54 0.00 0.00 0.00 173.10 172.84 1iq0 s VAL 38 N -3.49 1.28 0.19 1.40 0.11 -0.68 -1.41 120.40 117.80 1iq0 s VAL 38 Ca 0.02 -0.62 -0.25 0.00 -2.93 0.00 0.00 61.98 58.21 1iq0 s VAL 38 Cb 0.03 -1.12 -0.08 0.00 -1.53 0.00 0.00 36.38 33.68 1iq0 s VAL 38 CO -0.09 0.38 0.78 -2.16 -3.33 0.00 0.00 175.10 170.68 1iq0 s PRO 39 N 0.23 4.53 -0.33 1.54 0.04 -1.26 -1.40 135.00 138.34 1iq0 s PRO 39 Ca -0.07 1.13 0.09 0.00 0.04 0.00 0.00 61.00 62.19 1iq0 s PRO 39 Cb -0.12 -3.17 0.45 0.00 0.04 0.00 0.00 34.50 31.70 1iq0 s PRO 39 CO 0.03 0.52 1.15 1.28 0.04 0.00 0.00 177.00 180.01 1iq0 n LEU 40 N 1.37 4.35 -0.07 -3.56 4.32 -0.74 -4.72 117.00 117.95 1iq0 n LEU 40 Ca -0.04 -4.65 -0.16 0.00 -0.02 0.00 0.00 56.01 51.14 1iq0 n LEU 40 Cb 0.49 -0.25 -0.14 0.00 -1.62 0.00 0.00 43.42 41.90 1iq0 n LEU 40 CO 0.46 2.01 -1.03 0.49 -1.22 0.00 0.00 177.39 178.09 1iq0 n PHE 41 N -0.60 0.50 0.10 -1.77 3.72 -1.26 -2.36 117.46 115.79 1iq0 n PHE 41 Ca 0.37 0.13 0.03 0.00 -0.05 0.00 0.00 57.45 57.93 1iq0 n PHE 41 Cb 0.86 -1.07 0.42 0.00 -0.94 0.00 0.00 39.48 38.74 1iq0 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iq0 h ALA 42 N 0.40 1.60 0.00 4.37 0.00 -1.99 -1.55 119.26 122.09 1iq0 h ALA 42 Ca -0.48 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1iq0 h ALA 42 Cb 2.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1iq0 h ALA 42 CO 0.01 0.30 -1.22 1.28 0.00 0.00 0.00 179.25 179.62 1iq0 n LEU 43 N -4.35 0.65 -0.22 0.00 4.77 -1.26 -3.19 117.00 113.40 1iq0 n LEU 43 Ca 0.00 0.24 0.03 0.00 -0.03 0.00 0.00 56.01 56.25 1iq0 n LEU 43 Cb 0.20 -0.05 0.28 0.00 -2.33 0.00 0.00 43.42 41.51 1iq0 n LEU 43 CO 0.37 -0.14 1.23 0.00 -1.33 0.00 0.00 177.39 177.53 1iq0 h ALA 44 N 2.03 1.54 0.00 -1.18 0.00 -0.89 -1.77 119.26 118.99 1iq0 h ALA 44 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1iq0 h ALA 44 Cb 0.99 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1iq0 h ALA 44 CO 0.00 0.38 -2.09 1.17 0.00 0.00 0.00 179.25 178.70 1iq0 n LYS 45 N -4.45 0.67 0.00 0.00 3.00 -1.12 -1.38 118.16 114.87 1iq0 n LYS 45 Ca 0.10 -0.07 0.09 0.00 -0.00 0.00 0.00 58.31 58.43 1iq0 n LYS 45 Cb 0.12 -1.55 0.43 0.00 0.00 0.00 0.00 35.03 34.03 1iq0 n LYS 45 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1iq0 n GLU 46 N -2.53 0.03 0.00 1.64 2.13 -1.08 -2.69 120.64 118.14 1iq0 n GLU 46 Ca -0.17 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1iq0 n GLU 46 Cb 0.85 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.06 1iq0 n GLU 46 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1iq0 n LEU 47 N -1.47 0.64 -3.68 4.31 4.77 -0.69 -5.04 117.00 115.85 1iq0 n LEU 47 Ca 0.05 -0.64 -0.26 0.00 -0.03 0.00 0.00 56.01 55.13 1iq0 n LEU 47 Cb 0.22 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1iq0 n LEU 47 CO 0.18 0.16 -0.09 0.54 -1.33 0.00 0.00 177.39 176.85 1iq0 n ARG 48 N -0.00 -2.70 -3.92 3.23 1.74 -1.09 -5.00 116.66 108.91 1iq0 n ARG 48 Ca 0.00 0.54 -0.09 0.00 -0.77 0.00 0.00 57.85 57.53 1iq0 n ARG 48 Cb 0.09 -4.67 -0.08 0.00 -1.02 0.00 0.00 32.46 26.78 1iq0 n ARG 48 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1iq0 s LYS 49 N -5.89 0.73 0.09 5.56 1.02 -0.48 -5.03 119.74 115.74 1iq0 s LYS 49 Ca 0.27 -0.95 -0.31 0.00 0.02 0.00 0.00 55.97 55.00 1iq0 s LYS 49 Cb -0.08 0.29 -0.09 0.00 -0.52 0.00 0.00 37.83 37.42 1iq0 s LYS 49 CO 0.84 -0.20 1.72 -2.14 -0.92 0.00 0.00 175.35 174.65 1iq0 s PRO 50 N -3.52 4.17 0.24 -1.68 0.02 -1.26 -4.57 135.00 128.39 1iq0 s PRO 50 Ca 0.03 2.44 -0.06 0.00 0.02 0.00 0.00 61.00 63.43 1iq0 s PRO 50 Cb 0.04 -3.58 0.42 0.00 0.02 0.00 0.00 34.50 31.40 1iq0 s PRO 50 CO -0.09 -0.78 1.69 -1.35 -0.33 0.00 0.00 177.00 176.15 1iq0 h PRO 51 N 8.38 0.26 -0.07 5.54 0.11 -1.87 0.20 132.00 144.55 1iq0 h PRO 51 Ca -0.44 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1iq0 h PRO 51 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1iq0 h PRO 51 CO 0.94 0.17 0.07 0.37 -0.21 0.00 0.00 178.00 179.34 1iq0 h GLN 52 N 0.27 0.00 0.08 1.05 5.75 -1.90 -1.17 115.11 119.19 1iq0 h GLN 52 Ca 0.39 0.00 -0.27 0.00 -0.15 0.00 0.00 58.65 58.62 1iq0 h GLN 52 Cb 0.65 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.21 1iq0 h GLN 52 CO -0.48 0.00 -1.15 0.00 -2.65 0.00 0.00 178.83 174.54 1iq0 h ALA 53 N 1.93 0.12 -0.32 3.38 0.00 -0.99 -2.66 119.26 120.70 1iq0 h ALA 53 Ca 0.04 -0.77 -0.13 0.00 0.00 0.00 0.00 54.91 54.05 1iq0 h ALA 53 Cb 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1iq0 h ALA 53 CO -0.00 0.77 -0.31 0.82 0.00 0.00 0.00 179.25 180.52 1iq0 h ILE 54 N 0.25 1.28 -0.15 0.00 2.04 -0.77 -0.72 117.51 119.44 1iq0 h ILE 54 Ca -0.15 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.25 1iq0 h ILE 54 Cb 1.82 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 1iq0 h ILE 54 CO 0.21 0.47 0.04 0.00 0.00 0.00 0.00 178.15 178.88 1iq0 h ALA 55 N 1.06 0.19 -0.56 1.87 0.00 -1.29 0.15 119.26 120.68 1iq0 h ALA 55 Ca 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1iq0 h ALA 55 Cb 0.83 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1iq0 h ALA 55 CO 0.07 -0.19 0.18 0.37 0.00 0.00 0.00 179.25 179.68 1iq0 h GLN 56 N 0.05 0.84 0.10 0.00 5.75 -1.39 -0.47 115.11 119.98 1iq0 h GLN 56 Ca 0.05 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1iq0 h GLN 56 Cb 0.23 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.65 1iq0 h GLN 56 CO -0.00 0.72 -0.05 1.49 -2.65 0.00 0.00 178.83 178.35 1iq0 h GLU 57 N 0.82 -0.12 -0.87 1.69 4.57 -0.80 -1.58 114.58 118.28 1iq0 h GLU 57 Ca 0.19 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.41 1iq0 h GLU 57 Cb 0.23 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 1iq0 h GLU 57 CO -0.01 0.02 0.56 1.25 -1.18 0.00 0.00 179.01 179.65 1iq0 h LEU 58 N -0.24 0.94 -1.15 1.64 5.85 -0.36 -1.52 115.31 120.47 1iq0 h LEU 58 Ca -0.01 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1iq0 h LEU 58 Cb 0.20 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1iq0 h LEU 58 CO 0.02 0.65 0.58 0.50 -0.34 0.00 0.00 178.44 179.85 1iq0 h LYS 59 N 1.10 1.14 -0.32 1.25 3.64 -0.84 -1.93 116.57 120.60 1iq0 h LYS 59 Ca 0.35 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1iq0 h LYS 59 Cb -0.00 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 1iq0 h LYS 59 CO -0.11 0.75 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.26 1iq0 h ASP 60 N 1.17 0.54 -0.37 4.20 3.45 -0.26 -3.13 116.42 122.02 1iq0 h ASP 60 Ca 0.32 -0.15 -0.05 0.00 0.43 0.00 0.00 57.03 57.59 1iq0 h ASP 60 Cb -0.12 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.48 1iq0 h ASP 60 CO -0.07 0.70 0.03 0.54 -1.57 0.00 0.00 179.24 178.86 1iq0 n ARG 61 N -4.19 3.15 -3.71 3.56 1.74 -1.04 -4.94 116.66 111.24 1iq0 n ARG 61 Ca 0.01 -2.96 -0.38 0.00 -0.77 0.00 0.00 57.85 53.75 1iq0 n ARG 61 Cb 0.33 -1.95 -0.12 0.00 -1.02 0.00 0.00 32.46 29.71 1iq0 n ARG 61 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1iq0 s LEU 62 N -2.89 4.53 -0.34 0.55 2.96 -0.75 -4.81 118.68 117.92 1iq0 s LEU 62 Ca 0.46 -1.20 -0.29 0.00 -0.22 0.00 0.00 54.13 52.88 1iq0 s LEU 62 Cb 0.37 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 45.15 1iq0 s LEU 62 CO 0.09 -0.37 1.44 -2.16 -1.32 0.00 0.00 176.35 174.03 1iq0 s PRO 63 N 1.42 3.69 0.16 0.98 0.04 -1.26 -4.95 135.00 135.08 1iq0 s PRO 63 Ca -0.00 1.18 -0.31 0.00 0.04 0.00 0.00 61.00 61.91 1iq0 s PRO 63 Cb -0.20 -4.00 -0.11 0.00 0.04 0.00 0.00 34.50 30.23 1iq0 s PRO 63 CO 0.03 -1.41 1.72 -0.51 0.04 0.00 0.00 177.00 176.87 1iq0 s LEU 64 N 5.20 4.38 0.69 -3.56 1.43 -1.26 -4.97 118.68 120.58 1iq0 s LEU 64 Ca 0.63 2.75 -0.16 0.00 -1.03 0.00 0.00 54.13 56.32 1iq0 s LEU 64 Cb -0.17 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.48 1iq0 s LEU 64 CO 0.29 -0.95 1.19 -2.84 0.23 0.00 0.00 176.35 174.28 1iq0 s PRO 65 N 1.77 2.43 0.53 1.29 0.02 -1.26 -4.85 135.00 134.93 1iq0 s PRO 65 Ca 0.76 1.72 0.33 0.00 0.02 0.00 0.00 61.00 63.83 1iq0 s PRO 65 Cb -0.47 -1.87 1.81 0.00 0.02 0.00 0.00 34.50 33.99 1iq0 s PRO 65 CO 0.33 -1.60 2.01 1.05 -0.33 0.00 0.00 177.00 178.46 1iq0 h GLU 66 N 0.02 0.00 -0.01 5.54 -0.00 -2.04 -1.35 114.58 116.75 1iq0 h GLU 66 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 1iq0 h GLU 66 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.04 1iq0 h GLU 66 CO 0.52 0.00 -0.15 1.97 -0.00 0.00 0.00 179.01 181.34 1iq0 n PHE 67 N -2.71 0.00 -3.52 2.06 1.16 -1.26 -4.81 117.46 108.37 1iq0 n PHE 67 Ca -0.02 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.18 1iq0 n PHE 67 Cb 0.11 -0.10 -0.09 0.00 -1.61 0.00 0.00 39.48 37.79 1iq0 n PHE 67 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1iq0 s VAL 68 N -2.35 5.27 -0.04 1.97 1.01 -0.51 -1.14 120.40 124.61 1iq0 s VAL 68 Ca 0.29 0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.40 1iq0 s VAL 68 Cb 0.20 -3.60 -0.22 0.00 0.00 0.00 0.00 36.38 32.76 1iq0 s VAL 68 CO 0.46 0.26 1.11 -0.08 0.00 0.00 0.00 175.10 176.85 1iq0 h GLU 69 N 7.84 0.10 -1.91 2.72 4.57 -0.66 -3.45 114.58 123.79 1iq0 h GLU 69 Ca -0.35 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 57.71 1iq0 h GLU 69 Cb 1.17 0.02 -0.21 0.00 -0.16 0.00 0.00 28.75 29.57 1iq0 h GLU 69 CO 0.64 0.75 0.24 -2.00 -1.18 0.00 0.00 179.01 177.47 1iq0 s GLU 70 N -3.52 0.89 -0.15 1.92 2.12 -0.98 -5.01 118.70 113.97 1iq0 s GLU 70 Ca -0.16 0.48 -0.04 0.00 0.36 0.00 0.00 54.97 55.61 1iq0 s GLU 70 Cb 0.01 0.43 -0.03 0.00 0.26 0.00 0.00 34.13 34.80 1iq0 s GLU 70 CO 0.71 -0.23 -0.03 0.00 -0.54 0.00 0.00 175.26 175.18 1iq0 s ALA 71 N -0.63 3.06 -0.14 6.30 0.00 -1.26 -0.95 121.76 128.15 1iq0 s ALA 71 Ca -0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1iq0 s ALA 71 Cb -0.02 -1.58 0.03 0.00 0.00 0.00 0.00 23.12 21.55 1iq0 s ALA 71 CO 0.05 0.25 -0.06 0.08 0.00 0.00 0.00 175.76 176.08 1iq0 s VAL 72 N 0.25 1.03 -0.21 0.00 1.01 0.75 -4.97 120.40 118.26 1iq0 s VAL 72 Ca -0.02 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 1iq0 s VAL 72 Cb -0.14 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 1iq0 s VAL 72 CO 0.03 0.24 1.52 -2.84 0.00 0.00 0.00 175.10 174.05 1iq0 s PRO 73 N 1.69 3.92 -0.32 2.72 0.02 -1.26 -0.89 135.00 140.87 1iq0 s PRO 73 Ca 0.03 1.65 0.02 0.00 0.02 0.00 0.00 61.00 62.73 1iq0 s PRO 73 Cb -0.14 -3.97 0.10 0.00 0.02 0.00 0.00 34.50 30.51 1iq0 s PRO 73 CO -0.08 -1.14 0.06 0.08 -0.33 0.00 0.00 177.00 175.59 1iq0 s VAL 74 N 4.71 1.78 -0.48 3.83 1.01 0.96 -4.94 120.40 127.26 1iq0 s VAL 74 Ca 0.67 -1.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.64 1iq0 s VAL 74 Cb -0.24 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1iq0 s VAL 74 CO 0.26 -0.60 0.38 0.61 0.00 0.00 0.00 175.10 175.75 1iq0 n GLY 75 N 4.47 -0.69 0.41 4.51 0.00 -1.26 -1.47 105.19 111.16 1iq0 n GLY 75 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1iq0 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iq0 n GLY 76 N -1.06 2.92 3.95 -0.02 0.00 -1.26 -4.93 105.19 104.80 1iq0 n GLY 76 Ca -0.18 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 1iq0 n GLY 76 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iq0 s TYR 77 N -1.58 3.22 -0.27 1.61 1.51 -0.54 -1.80 117.35 119.50 1iq0 s TYR 77 Ca 0.00 -0.14 0.03 0.00 -1.01 0.00 0.00 57.07 55.94 1iq0 s TYR 77 Cb 0.00 -1.76 0.07 0.00 -0.11 0.00 0.00 41.96 40.16 1iq0 s TYR 77 CO 0.00 0.23 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.44 1iq0 s LEU 78 N -4.05 3.49 0.23 -1.29 2.96 -0.49 -0.03 118.68 119.50 1iq0 s LEU 78 Ca 0.39 -1.51 -0.03 0.00 -0.22 0.00 0.00 54.13 52.77 1iq0 s LEU 78 Cb -0.09 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 1iq0 s LEU 78 CO 0.29 -0.24 0.45 0.20 -1.32 0.00 0.00 176.35 175.73 1iq0 s ASN 79 N 1.14 6.42 -0.08 3.68 0.01 -0.07 -1.69 114.94 124.34 1iq0 s ASN 79 Ca -0.04 0.53 0.02 0.00 -0.71 0.00 0.00 52.86 52.67 1iq0 s ASN 79 Cb -0.19 -2.07 0.01 0.00 0.41 0.00 0.00 41.25 39.41 1iq0 s ASN 79 CO -0.06 -0.10 -0.13 -0.36 -1.51 0.00 0.00 177.10 174.94 1iq0 s PHE 80 N -1.94 1.63 -0.24 2.20 0.40 0.41 -0.18 117.98 120.26 1iq0 s PHE 80 Ca 0.41 -0.67 -0.10 0.00 -0.60 0.00 0.00 56.93 55.97 1iq0 s PHE 80 Cb -0.11 -1.20 -0.05 0.00 0.51 0.00 0.00 43.02 42.18 1iq0 s PHE 80 CO 0.29 -0.35 0.14 0.50 0.70 0.00 0.00 175.22 176.51 1iq0 s ARG 81 N 0.81 4.00 0.43 0.44 3.52 -0.12 -0.34 118.95 127.69 1iq0 s ARG 81 Ca -0.11 -0.31 -0.13 0.00 -0.13 0.00 0.00 55.73 55.05 1iq0 s ARG 81 Cb -0.15 -3.50 -0.07 0.00 -1.56 0.00 0.00 34.95 29.67 1iq0 s ARG 81 CO 0.02 0.02 0.83 -0.51 -0.81 0.00 0.00 175.30 174.85 1iq0 s LEU 82 N 1.14 3.79 -0.08 -0.88 1.43 -1.26 -0.01 118.68 122.82 1iq0 s LEU 82 Ca 0.07 1.27 -0.30 0.00 -1.03 0.00 0.00 54.13 54.14 1iq0 s LEU 82 Cb -0.14 -4.16 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 1iq0 s LEU 82 CO 0.05 -0.43 1.20 -0.13 0.23 0.00 0.00 176.35 177.26 1iq0 s ARG 83 N -3.83 4.33 0.24 1.70 0.52 -0.29 -4.51 118.95 117.11 1iq0 s ARG 83 Ca 0.54 1.65 -0.07 0.00 -0.52 0.00 0.00 55.73 57.33 1iq0 s ARG 83 Cb -0.10 -3.59 0.42 0.00 0.52 0.00 0.00 34.95 32.20 1iq0 s ARG 83 CO 0.30 -0.49 1.67 1.15 0.02 0.00 0.00 175.30 177.95 1iq0 h THR 84 N 5.11 0.49 -0.07 0.02 2.02 -1.95 0.47 112.91 119.00 1iq0 h THR 84 Ca -0.32 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 66.80 1iq0 h THR 84 Cb 1.15 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1iq0 h THR 84 CO 0.90 0.04 -0.02 -0.08 0.37 0.00 0.00 175.52 176.72 1iq0 h GLU 85 N 0.21 -0.01 -0.87 6.66 4.81 -1.93 -0.06 114.58 123.39 1iq0 h GLU 85 Ca 0.39 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.60 1iq0 h GLU 85 Cb 0.67 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 1iq0 h GLU 85 CO -0.53 -0.01 0.44 0.00 -0.73 0.00 0.00 179.01 178.18 1iq0 h ALA 86 N 1.05 1.12 0.08 2.92 0.00 -1.71 0.32 119.26 123.04 1iq0 h ALA 86 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1iq0 h ALA 86 Cb 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1iq0 h ALA 86 CO -0.07 0.66 -0.09 1.25 0.00 0.00 0.00 179.25 180.99 1iq0 h LEU 87 N 1.23 -0.25 -0.46 0.00 6.46 -0.49 -0.65 115.31 121.15 1iq0 h LEU 87 Ca 0.30 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 58.08 1iq0 h LEU 87 Cb 0.08 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1iq0 h LEU 87 CO -0.04 -0.15 0.26 -0.07 -0.62 0.00 0.00 178.44 177.83 1iq0 h LEU 88 N -0.20 0.56 -0.43 2.25 3.38 -0.68 -1.04 115.31 119.15 1iq0 h LEU 88 Ca 0.01 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1iq0 h LEU 88 Cb 0.20 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1iq0 h LEU 88 CO -0.04 0.47 0.17 -0.09 0.09 0.00 0.00 178.44 179.04 1iq0 h ARG 89 N 0.61 0.33 -0.14 1.13 2.43 -0.70 -0.53 114.38 117.51 1iq0 h ARG 89 Ca 0.16 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 1iq0 h ARG 89 Cb 0.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1iq0 h ARG 89 CO -0.03 0.22 -0.28 1.49 -1.51 0.00 0.00 179.97 179.87 1iq0 h GLU 90 N 0.34 0.25 -0.09 0.20 4.57 -0.87 -2.19 114.58 116.79 1iq0 h GLU 90 Ca 0.20 -0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 58.16 1iq0 h GLU 90 Cb 0.18 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1iq0 h GLU 90 CO -0.19 0.51 -0.53 0.00 -1.18 0.00 0.00 179.01 177.62 1iq0 h ALA 91 N 1.49 0.93 0.00 2.92 0.00 -0.21 -3.17 119.26 121.22 1iq0 h ALA 91 Ca 0.03 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 1iq0 h ALA 91 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1iq0 h ALA 91 CO 0.04 0.68 -0.80 -0.07 0.00 0.00 0.00 179.25 179.10 1iq0 h LEU 92 N 0.21 0.00 -9.51 0.00 3.38 -0.82 -3.46 115.31 105.11 1iq0 h LEU 92 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1iq0 h LEU 92 Cb 1.00 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.84 1iq0 h LEU 92 CO 0.08 0.80 0.47 -1.14 0.09 0.00 0.00 178.44 178.74 1iq0 n ARG 93 N -3.39 1.71 -2.07 1.13 0.63 -0.85 -4.89 116.66 108.93 1iq0 n ARG 93 Ca 0.00 0.61 -0.41 0.00 -0.92 0.00 0.00 57.85 57.13 1iq0 n ARG 93 Cb 0.83 -2.19 -0.03 0.00 0.45 0.00 0.00 32.46 31.52 1iq0 n ARG 93 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1iq0 s PRO 94 N -0.53 4.30 -0.24 -0.14 0.04 -1.26 -5.01 135.00 132.16 1iq0 s PRO 94 Ca 0.69 2.22 -0.10 0.00 0.04 0.00 0.00 61.00 63.85 1iq0 s PRO 94 Cb -0.71 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 30.63 1iq0 s PRO 94 CO 0.52 -0.40 0.14 -1.59 0.04 0.00 0.00 177.00 175.71 1iq0 s LYS 95 N 0.01 3.99 0.27 4.56 0.00 -1.26 -5.09 119.74 122.22 1iq0 s LYS 95 Ca 0.60 -0.31 0.02 0.00 0.00 0.00 0.00 55.97 56.28 1iq0 s LYS 95 Cb -0.40 -3.49 -0.05 0.00 0.00 0.00 0.00 37.83 33.89 1iq0 s LYS 95 CO 0.39 0.02 0.09 0.00 0.00 0.00 0.00 175.35 175.85 1iq0 s ALA 96 N 1.15 1.84 0.45 0.59 0.00 -1.26 -5.05 121.76 119.48 1iq0 s ALA 96 Ca 0.07 -1.90 -0.23 0.00 0.00 0.00 0.00 51.96 49.90 1iq0 s ALA 96 Cb -0.14 0.96 -0.10 0.00 0.00 0.00 0.00 23.12 23.83 1iq0 s ALA 96 CO 0.05 -0.42 0.85 -2.30 0.00 0.00 0.00 175.76 173.94 1iq0 n PRO 97 N -0.50 1.04 -1.52 0.00 -0.02 -1.26 -4.97 135.00 127.77 1iq0 n PRO 97 Ca -0.01 0.38 -0.29 0.00 -2.02 0.00 0.00 63.50 61.56 1iq0 n PRO 97 Cb 0.66 -1.89 0.12 0.00 -0.02 0.00 0.00 33.50 32.37 1iq0 n PRO 97 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1iq0 s PHE 98 N -1.38 2.60 0.32 6.00 0.40 -0.59 -4.97 117.98 120.36 1iq0 s PHE 98 Ca 0.65 0.98 -0.28 0.00 -0.60 0.00 0.00 56.93 57.67 1iq0 s PHE 98 Cb -0.55 -3.28 -0.13 0.00 0.51 0.00 0.00 43.02 39.57 1iq0 s PHE 98 CO 0.56 -2.18 1.24 -2.30 0.70 0.00 0.00 175.22 173.24 1iq0 n PRO 99 N -3.67 1.94 -2.33 0.24 -0.02 -1.26 -4.32 135.00 125.58 1iq0 n PRO 99 Ca 0.07 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 1iq0 n PRO 99 Cb 0.58 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1iq0 n PRO 99 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1iq0 s ARG 100 N -1.67 4.45 -0.15 -0.52 6.06 -1.26 -4.41 118.95 121.44 1iq0 s ARG 100 Ca 0.57 1.91 -0.00 0.00 -2.50 0.00 0.00 55.73 55.71 1iq0 s ARG 100 Cb -0.61 -3.25 -0.01 0.00 0.06 0.00 0.00 34.95 31.15 1iq0 s ARG 100 CO 0.61 -0.18 -0.13 1.03 -2.50 0.00 0.00 175.30 174.13 1iq0 s ARG 101 N 0.10 3.31 0.86 5.12 0.52 0.63 -5.04 118.95 124.45 1iq0 s ARG 101 Ca 0.56 -0.71 -0.11 0.00 -0.52 0.00 0.00 55.73 54.95 1iq0 s ARG 101 Cb -0.33 -2.67 0.11 0.00 0.52 0.00 0.00 34.95 32.57 1iq0 s ARG 101 CO 0.35 0.08 1.11 -2.14 0.02 0.00 0.00 175.30 174.72 1iq0 s PRO 102 N 0.69 1.55 0.00 3.54 0.02 -1.26 -3.65 135.00 135.89 1iq0 s PRO 102 Ca -0.06 1.27 0.00 0.00 0.02 0.00 0.00 61.00 62.23 1iq0 s PRO 102 Cb -0.15 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1iq0 s PRO 102 CO 0.02 -2.17 0.00 0.41 -0.33 0.00 0.00 177.00 174.93 1iq0 n GLY 103 N -0.57 1.68 3.74 0.52 0.00 -1.26 -4.87 105.19 104.43 1iq0 n GLY 103 Ca 0.10 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1iq0 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iq0 s VAL 104 N 0.00 2.57 -0.29 1.61 1.01 -1.26 -4.01 120.40 120.03 1iq0 s VAL 104 Ca 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1iq0 s VAL 104 Cb 0.00 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 33.13 1iq0 s VAL 104 CO 0.00 0.07 -0.02 -0.69 0.00 0.00 0.00 175.10 174.46 1iq0 s VAL 105 N 0.15 2.93 -0.34 2.92 1.01 0.10 -0.24 120.40 126.92 1iq0 s VAL 105 Ca 0.61 -1.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 1iq0 s VAL 105 Cb -0.43 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1iq0 s VAL 105 CO 0.42 -0.03 0.43 -0.22 0.00 0.00 0.00 175.10 175.70 1iq0 s LEU 106 N 1.26 4.39 -0.25 3.92 2.96 0.06 -2.17 118.68 128.85 1iq0 s LEU 106 Ca -0.04 -0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.65 1iq0 s LEU 106 Cb -0.19 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 1iq0 s LEU 106 CO -0.02 -0.40 0.13 -0.69 -1.32 0.00 0.00 176.35 174.05 1iq0 s VAL 107 N 2.19 4.96 -0.18 1.68 1.01 0.22 -0.76 120.40 129.51 1iq0 s VAL 107 Ca 0.15 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1iq0 s VAL 107 Cb -0.16 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1iq0 s VAL 107 CO 0.12 0.33 -0.04 -0.70 0.00 0.00 0.00 175.10 174.82 1iq0 s GLU 108 N 1.35 3.57 0.25 2.72 2.12 0.57 -0.35 118.70 128.93 1iq0 s GLU 108 Ca 0.06 -0.56 -0.12 0.00 0.36 0.00 0.00 54.97 54.72 1iq0 s GLU 108 Cb -0.15 -2.96 -0.00 0.00 0.26 0.00 0.00 34.13 31.28 1iq0 s GLU 108 CO 0.06 0.08 0.47 -3.38 -0.54 0.00 0.00 175.26 171.95 1iq0 s HIS 109 N 0.79 0.42 0.00 5.30 -3.43 -1.10 -1.33 115.29 115.95 1iq0 s HIS 109 Ca -0.01 -0.78 0.00 0.00 -0.80 0.00 0.00 55.06 53.47 1iq0 s HIS 109 Cb -0.14 0.17 0.00 0.00 -1.43 0.00 0.00 32.58 31.17 1iq0 s HIS 109 CO 0.02 -1.00 0.00 2.41 -2.00 0.00 0.00 174.74 174.17 1iq0 n THR 110 N -0.39 0.00 -3.99 -5.38 -1.04 -1.26 -4.51 114.28 97.71 1iq0 n THR 110 Ca -0.01 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.63 1iq0 n THR 110 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1iq0 n THR 110 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1iq0 n SER 111 N 6.89 -3.07 -4.95 8.00 7.64 -1.26 -4.95 113.62 121.92 1iq0 n SER 111 Ca 0.00 -1.18 -0.24 0.00 1.01 0.00 0.00 58.87 58.46 1iq0 n SER 111 Cb 0.00 -2.35 -0.02 0.00 -1.01 0.00 0.00 64.21 60.83 1iq0 n SER 111 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1iq0 s VAL 112 N -3.71 5.20 0.15 0.44 -7.23 -1.26 -4.89 120.40 109.09 1iq0 s VAL 112 Ca 0.34 -0.60 -0.33 0.00 -1.81 0.00 0.00 61.98 59.58 1iq0 s VAL 112 Cb -0.16 -3.81 -0.12 0.00 0.56 0.00 0.00 36.38 32.85 1iq0 s VAL 112 CO 0.93 -0.34 1.71 0.59 -0.31 0.00 0.00 175.10 177.69 1iq0 n ASN 113 N -1.23 3.68 -3.40 4.85 3.02 -1.26 -4.65 115.26 116.27 1iq0 n ASN 113 Ca -0.06 1.04 -0.40 0.00 -0.03 0.00 0.00 54.58 55.14 1iq0 n ASN 113 Cb 0.55 -1.51 -0.02 0.00 -0.61 0.00 0.00 39.78 38.20 1iq0 n ASN 113 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1iq0 n PRO 114 N 4.36 3.97 0.00 3.52 -0.04 -1.26 -4.26 135.00 141.29 1iq0 n PRO 114 Ca 0.17 -2.68 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 1iq0 n PRO 114 Cb 0.33 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 1iq0 n PRO 114 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1iq0 n ASN 115 N 3.07 0.43 -3.69 3.54 6.94 -1.26 -4.68 115.26 119.61 1iq0 n ASN 115 Ca 0.71 -0.85 0.02 0.00 -0.02 0.00 0.00 54.58 54.44 1iq0 n ASN 115 Cb 0.25 0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 1iq0 n ASN 115 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1iq0 s LYS 116 N -0.11 0.38 0.64 -3.83 -2.85 -1.26 -4.23 119.74 108.48 1iq0 s LYS 116 Ca 0.00 -0.23 -0.18 0.00 -1.00 0.00 0.00 55.97 54.56 1iq0 s LYS 116 Cb 0.00 0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.88 1iq0 s LYS 116 CO 0.00 -0.18 1.25 -1.83 0.10 0.00 0.00 175.35 174.69 1iq0 s GLU 117 N -2.24 2.67 0.55 1.78 1.03 -0.93 -4.95 118.70 116.60 1iq0 s GLU 117 Ca 0.20 1.92 -0.20 0.00 0.03 0.00 0.00 54.97 56.92 1iq0 s GLU 117 Cb 0.03 -1.88 -0.05 0.00 -0.80 0.00 0.00 34.13 31.43 1iq0 s GLU 117 CO -0.03 -1.47 1.16 -0.51 -1.33 0.00 0.00 175.26 173.09 1iq0 s LEU 118 N -4.36 3.76 0.40 1.83 1.43 -1.26 -4.93 118.68 115.55 1iq0 s LEU 118 Ca 0.79 2.27 0.07 0.00 -1.03 0.00 0.00 54.13 56.23 1iq0 s LEU 118 Cb -0.33 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.28 1iq0 s LEU 118 CO 0.38 -1.29 0.03 -1.38 0.23 0.00 0.00 176.35 174.32 1iq0 s HIS 119 N -1.68 2.53 0.44 0.29 -3.43 -1.26 -1.12 115.29 111.06 1iq0 s HIS 119 Ca 0.73 -0.63 0.25 0.00 -0.80 0.00 0.00 55.06 54.61 1iq0 s HIS 119 Cb -0.27 -1.77 1.27 0.00 -1.43 0.00 0.00 32.58 30.38 1iq0 s HIS 119 CO 0.30 0.41 1.77 -0.39 -2.00 0.00 0.00 174.74 174.83 1iq0 h VAL 120 N 1.72 0.45 -0.07 -5.38 -1.51 -1.86 0.18 116.25 109.80 1iq0 h VAL 120 Ca -0.44 -0.08 0.01 0.00 -1.23 0.00 0.00 66.70 64.96 1iq0 h VAL 120 Cb 1.24 0.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1iq0 h VAL 120 CO 0.78 0.05 0.05 1.23 -1.23 0.00 0.00 177.57 178.44 1iq0 h GLY 121 N 0.25 0.03 2.00 5.19 0.00 -1.92 -0.85 103.07 107.76 1iq0 h GLY 121 Ca 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1iq0 h GLY 121 CO -0.22 0.01 0.00 0.45 0.00 0.00 0.00 176.54 176.78 1iq0 h HIS 122 N 0.03 0.00 0.51 5.60 -0.00 -1.03 -3.35 115.15 116.91 1iq0 h HIS 122 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.38 1iq0 h HIS 122 Cb 0.09 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1iq0 h HIS 122 CO -0.00 0.00 -0.25 -0.07 -0.00 0.00 0.00 177.93 177.61 1iq0 h LEU 123 N 0.00 -0.59 -0.88 2.43 3.38 -1.16 -2.50 115.31 116.00 1iq0 h LEU 123 Ca 0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1iq0 h LEU 123 Cb 0.80 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 1iq0 h LEU 123 CO 0.00 -0.40 0.58 -0.09 0.09 0.00 0.00 178.44 178.62 1iq0 h ARG 124 N -0.72 1.11 0.08 1.13 2.43 -1.70 -1.01 114.38 115.70 1iq0 h ARG 124 Ca -0.07 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1iq0 h ARG 124 Cb 0.54 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1iq0 h ARG 124 CO 0.12 0.73 -0.31 -0.97 -1.51 0.00 0.00 179.97 178.03 1iq0 h ASN 125 N 1.14 -0.90 -0.12 -3.80 -0.00 -1.69 0.21 115.58 110.42 1iq0 h ASN 125 Ca 0.34 0.11 -0.00 0.00 -0.00 0.00 0.00 56.30 56.75 1iq0 h ASN 125 Cb -0.05 0.35 -0.01 0.00 -0.00 0.00 0.00 38.32 38.61 1iq0 h ASN 125 CO -0.10 -0.39 0.07 0.40 -0.00 0.00 0.00 177.43 177.41 1iq0 h ILE 126 N -0.51 1.07 -0.20 2.57 2.04 -1.21 -0.58 117.51 120.69 1iq0 h ILE 126 Ca 0.04 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1iq0 h ILE 126 Cb 0.56 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1iq0 h ILE 126 CO -0.21 0.07 0.13 0.00 0.00 0.00 0.00 178.15 178.14 1iq0 h ALA 127 N 0.99 0.25 -0.23 1.87 0.00 -0.93 -0.63 119.26 120.57 1iq0 h ALA 127 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1iq0 h ALA 127 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1iq0 h ALA 127 CO -0.01 -0.27 0.06 1.25 0.00 0.00 0.00 179.25 180.28 1iq0 h LEU 128 N 0.27 0.35 -0.18 0.00 6.46 -0.54 -1.90 115.31 119.75 1iq0 h LEU 128 Ca 0.07 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 1iq0 h LEU 128 Cb -0.03 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 1iq0 h LEU 128 CO -0.02 0.48 0.05 1.23 -0.62 0.00 0.00 178.44 179.57 1iq0 h GLY 129 N 0.20 0.31 0.99 3.75 0.00 -1.01 -1.54 103.07 105.76 1iq0 h GLY 129 Ca 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1iq0 h GLY 129 CO 0.00 0.17 0.26 -1.80 0.00 0.00 0.00 176.54 175.18 1iq0 h ASP 130 N 0.12 0.76 -0.10 0.19 3.58 -1.15 -1.50 116.42 118.32 1iq0 h ASP 130 Ca 0.06 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 1iq0 h ASP 130 Cb 0.24 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 1iq0 h ASP 130 CO -0.00 0.69 0.05 0.00 -2.88 0.00 0.00 179.24 177.10 1iq0 h ALA 131 N 1.10 0.13 -0.07 -0.78 0.00 -1.27 -0.55 119.26 117.82 1iq0 h ALA 131 Ca 0.20 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1iq0 h ALA 131 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1iq0 h ALA 131 CO -0.02 -0.33 -0.26 0.97 0.00 0.00 0.00 179.25 179.61 1iq0 h ILE 132 N 0.06 1.22 -0.27 0.00 6.09 -1.19 -0.01 117.51 123.40 1iq0 h ILE 132 Ca 0.03 -1.02 -0.04 0.00 -1.37 0.00 0.00 64.86 62.47 1iq0 h ILE 132 Cb 0.09 1.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.82 1iq0 h ILE 132 CO -0.01 0.30 0.03 0.00 -3.07 0.00 0.00 178.15 175.41 1iq0 h ALA 133 N 1.63 0.35 -0.34 0.18 0.00 -0.88 -1.07 119.26 119.12 1iq0 h ALA 133 Ca 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1iq0 h ALA 133 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1iq0 h ALA 133 CO 0.04 0.06 0.10 0.00 0.00 0.00 0.00 179.25 179.45 1iq0 h ARG 134 N 0.25 0.54 -0.32 0.00 3.08 -0.68 -2.41 114.38 114.83 1iq0 h ARG 134 Ca 0.08 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1iq0 h ARG 134 Cb 0.36 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1iq0 h ARG 134 CO 0.01 0.57 0.20 0.82 -1.07 0.00 0.00 179.97 180.49 1iq0 h ILE 135 N 0.40 1.10 -0.75 2.04 2.04 -0.95 -1.61 117.51 119.78 1iq0 h ILE 135 Ca 0.11 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1iq0 h ILE 135 Cb 0.26 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1iq0 h ILE 135 CO -0.00 0.10 0.47 -0.07 0.00 0.00 0.00 178.15 178.65 1iq0 h LEU 136 N 0.42 0.90 -0.31 1.44 3.38 -1.15 -0.51 115.31 119.49 1iq0 h LEU 136 Ca 0.12 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1iq0 h LEU 136 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1iq0 h LEU 136 CO -0.02 0.68 0.17 0.00 0.09 0.00 0.00 178.44 179.36 1iq0 h ALA 137 N 1.25 0.39 -0.94 1.53 0.00 -1.22 -1.29 119.26 118.99 1iq0 h ALA 137 Ca 0.27 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1iq0 h ALA 137 Cb -0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1iq0 h ALA 137 CO -0.05 -0.09 0.61 -0.92 0.00 0.00 0.00 179.25 178.80 1iq0 h TYR 138 N 0.38 1.20 0.00 0.00 3.20 -0.96 -1.48 116.97 119.31 1iq0 h TYR 138 Ca 0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1iq0 h TYR 138 Cb 0.05 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 37.91 1iq0 h TYR 138 CO -0.03 0.76 0.00 0.00 -1.64 0.00 0.00 178.16 177.25 1iq0 n ALA 139 N -2.39 2.18 0.00 1.82 0.00 -0.23 -1.54 120.51 120.35 1iq0 n ALA 139 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iq0 n ALA 139 Cb 0.03 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1iq0 n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iq0 n GLY 140 N 0.16 0.58 3.82 0.00 0.00 -0.56 -4.68 105.19 104.51 1iq0 n GLY 140 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1iq0 n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iq0 s ARG 141 N -0.63 4.27 -0.47 1.61 1.81 -0.53 -0.27 118.95 124.74 1iq0 s ARG 141 Ca 0.00 1.07 -0.25 0.00 -1.72 0.00 0.00 55.73 54.83 1iq0 s ARG 141 Cb 0.00 -2.41 0.03 0.00 -0.45 0.00 0.00 34.95 32.12 1iq0 s ARG 141 CO 0.00 0.10 0.91 -2.00 -0.68 0.00 0.00 175.30 173.63 1iq0 s GLU 142 N -2.81 3.49 -0.03 3.54 2.12 -1.24 -4.14 118.70 119.62 1iq0 s GLU 142 Ca 0.57 0.07 0.03 0.00 0.36 0.00 0.00 54.97 56.00 1iq0 s GLU 142 Cb -0.12 -3.95 -0.03 0.00 0.26 0.00 0.00 34.13 30.30 1iq0 s GLU 142 CO 0.17 -1.25 -0.11 0.08 -0.54 0.00 0.00 175.26 173.61 1iq0 s VAL 143 N 3.73 3.30 -0.03 3.70 1.01 -1.26 -0.72 120.40 130.12 1iq0 s VAL 143 Ca 0.35 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1iq0 s VAL 143 Cb -0.11 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1iq0 s VAL 143 CO 0.25 0.53 -0.06 -0.76 0.00 0.00 0.00 175.10 175.05 1iq0 s LEU 144 N -0.96 1.63 -0.22 3.92 1.43 -0.92 -4.95 118.68 118.60 1iq0 s LEU 144 Ca 0.13 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.02 1iq0 s LEU 144 Cb -0.11 -0.45 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 1iq0 s LEU 144 CO 0.03 0.01 0.05 -0.69 0.23 0.00 0.00 176.35 175.98 1iq0 s VAL 145 N 0.44 4.40 -0.06 -1.59 1.01 -1.26 -0.61 120.40 122.73 1iq0 s VAL 145 Ca -0.06 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1iq0 s VAL 145 Cb -0.10 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1iq0 s VAL 145 CO 0.00 0.40 -0.13 -0.22 0.00 0.00 0.00 175.10 175.15 1iq0 s LEU 146 N 1.07 2.80 -0.23 3.92 0.20 0.52 -1.26 118.68 125.70 1iq0 s LEU 146 Ca 0.04 -0.18 0.02 0.00 0.69 0.00 0.00 54.13 54.70 1iq0 s LEU 146 Cb -0.14 -1.58 0.04 0.00 -0.43 0.00 0.00 46.19 44.08 1iq0 s LEU 146 CO 0.03 0.33 -0.14 0.21 -0.29 0.00 0.00 176.35 176.49 1iq0 s ASN 147 N -0.65 3.90 -0.13 3.68 3.04 -0.03 -2.70 114.94 122.05 1iq0 s ASN 147 Ca 0.10 -1.06 -0.25 0.00 0.04 0.00 0.00 52.86 51.68 1iq0 s ASN 147 Cb -0.11 -1.53 -0.02 0.00 -1.54 0.00 0.00 41.25 38.05 1iq0 s ASN 147 CO 0.01 -0.11 0.83 -0.47 -3.04 0.00 0.00 177.10 174.32 1iq0 s TYR 148 N 1.19 3.47 -0.36 0.43 5.04 -1.26 -2.09 117.35 123.76 1iq0 s TYR 148 Ca -0.03 1.30 -0.07 0.00 -2.44 0.00 0.00 57.07 55.84 1iq0 s TYR 148 Cb -0.17 -2.99 0.06 0.00 0.35 0.00 0.00 41.96 39.21 1iq0 s TYR 148 CO -0.08 -0.16 0.15 0.42 -1.34 0.00 0.00 175.55 174.54 1iq0 s ILE 149 N 1.80 3.81 -1.32 3.14 -1.09 0.59 -4.33 121.20 123.81 1iq0 s ILE 149 Ca 0.40 -1.30 -0.15 0.00 -2.23 0.00 0.00 60.65 57.36 1iq0 s ILE 149 Cb -0.17 -3.25 0.10 0.00 -1.58 0.00 0.00 42.46 37.56 1iq0 s ILE 149 CO 0.15 -0.31 1.80 -0.67 -1.23 0.00 0.00 174.94 174.68 1iq0 n ASP 150 N 4.81 4.77 0.00 3.58 -0.08 -1.26 -1.19 116.55 127.18 1iq0 n ASP 150 Ca -0.11 -2.94 0.15 0.00 -1.51 0.00 0.00 54.79 50.38 1iq0 n ASP 150 Cb 0.44 -1.65 0.89 0.00 2.34 0.00 0.00 41.12 43.14 1iq0 n ASP 150 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1iq0 n ASP 151 N 6.67 0.00 -0.30 1.67 3.85 -1.26 -3.10 116.55 124.08 1iq0 n ASP 151 Ca 0.46 -0.93 0.05 0.00 -0.71 0.00 0.00 54.79 53.66 1iq0 n ASP 151 Cb 0.42 -0.01 0.11 0.00 -1.35 0.00 0.00 41.12 40.30 1iq0 n ASP 151 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1iq0 n THR 152 N -1.01 1.43 -2.33 2.12 -2.24 -1.26 -4.87 114.28 106.12 1iq0 n THR 152 Ca 0.23 -1.46 -0.32 0.00 -2.27 0.00 0.00 64.05 60.22 1iq0 n THR 152 Cb 0.11 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 1iq0 n THR 152 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iq0 s GLY 153 N -1.62 2.13 0.40 3.38 0.00 -1.18 -4.65 107.32 105.78 1iq0 s GLY 153 Ca 0.20 0.28 0.09 0.00 0.00 0.00 0.00 44.72 45.29 1iq0 s GLY 153 CO 0.06 0.57 1.99 -0.09 0.00 0.00 0.00 173.10 175.63 1iq0 h ARG 154 N 0.89 0.56 -0.92 2.90 2.43 -1.97 -1.43 114.38 116.83 1iq0 h ARG 154 Ca -0.47 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 1iq0 h ARG 154 Cb 1.20 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.58 1iq0 h ARG 154 CO 0.60 0.37 0.52 1.96 -1.51 0.00 0.00 179.97 181.91 1iq0 h GLN 155 N 0.57 1.27 -0.14 0.20 1.08 -1.95 0.12 115.11 116.27 1iq0 h GLN 155 Ca 0.25 -0.14 -0.16 0.00 -1.45 0.00 0.00 58.65 57.16 1iq0 h GLN 155 Cb 0.27 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1iq0 h GLN 155 CO -0.07 0.92 -0.58 0.00 -0.95 0.00 0.00 178.83 178.14 1iq0 h ALA 156 N 1.28 0.75 -0.63 3.87 0.00 -1.64 -2.92 119.26 119.97 1iq0 h ALA 156 Ca 0.32 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1iq0 h ALA 156 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1iq0 h ALA 156 CO -0.05 0.70 0.12 0.00 0.00 0.00 0.00 179.25 180.02 1iq0 h ALA 157 N 1.05 0.83 -0.79 0.00 0.00 -0.49 -2.11 119.26 117.76 1iq0 h ALA 157 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1iq0 h ALA 157 Cb 1.11 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1iq0 h ALA 157 CO 0.10 0.58 0.38 0.93 0.00 0.00 0.00 179.25 181.23 1iq0 h GLU 158 N 0.94 1.14 -0.19 0.00 5.08 -0.66 0.03 114.58 120.92 1iq0 h GLU 158 Ca 0.19 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 1iq0 h GLU 158 Cb 0.40 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1iq0 h GLU 158 CO 0.01 0.88 -0.58 1.79 -1.00 0.00 0.00 179.01 180.11 1iq0 h THR 159 N 1.12 1.30 -0.54 1.13 1.35 -1.39 -0.86 112.91 115.01 1iq0 h THR 159 Ca 0.27 -1.80 -0.04 0.00 -0.55 0.00 0.00 66.41 64.30 1iq0 h THR 159 Cb 0.12 1.90 -0.03 0.00 -1.73 0.00 0.00 68.15 68.41 1iq0 h THR 159 CO -0.03 0.57 0.19 -0.07 -0.25 0.00 0.00 175.52 175.93 1iq0 h LEU 160 N 0.45 0.73 -0.13 3.87 3.38 -1.23 -0.65 115.31 121.72 1iq0 h LEU 160 Ca -0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1iq0 h LEU 160 Cb 1.20 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1iq0 h LEU 160 CO 0.12 0.67 0.00 0.15 0.09 0.00 0.00 178.44 179.48 1iq0 h PHE 161 N 0.78 0.25 -0.72 1.13 3.57 -0.87 -3.03 116.94 118.04 1iq0 h PHE 161 Ca 0.18 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1iq0 h PHE 161 Cb 0.19 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 1iq0 h PHE 161 CO 0.01 0.46 0.42 0.00 -2.23 0.00 0.00 178.31 176.97 1iq0 h ALA 162 N 0.76 0.97 -1.00 2.41 0.00 -0.67 0.24 119.26 121.98 1iq0 h ALA 162 Ca 0.04 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1iq0 h ALA 162 Cb 0.36 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1iq0 h ALA 162 CO 0.01 0.12 0.65 -0.07 0.00 0.00 0.00 179.25 179.95 1iq0 h LEU 163 N 0.77 1.05 0.00 0.00 3.38 -1.10 -1.55 115.31 117.86 1iq0 h LEU 163 Ca 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1iq0 h LEU 163 Cb 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1iq0 h LEU 163 CO -0.17 0.68 -0.00 -0.09 0.09 0.00 0.00 178.44 178.95 1iq0 h ARG 164 N 1.20 -0.00 -0.89 1.13 2.43 -1.29 -1.44 114.38 115.51 1iq0 h ARG 164 Ca 0.42 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.74 1iq0 h ARG 164 Cb 0.12 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.57 1iq0 h ARG 164 CO -0.16 0.88 0.49 1.25 -1.51 0.00 0.00 179.97 180.92 1iq0 h HIS 165 N -0.99 0.86 -0.03 2.20 2.76 -0.46 0.10 115.15 119.59 1iq0 h HIS 165 Ca -0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1iq0 h HIS 165 Cb 0.88 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.59 1iq0 h HIS 165 CO 0.25 0.22 0.00 0.66 -1.30 0.00 0.00 177.93 177.75 1iq0 n TYR 166 N -4.83 0.02 -3.62 5.26 4.02 -0.59 -4.95 117.16 112.47 1iq0 n TYR 166 Ca 0.18 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.90 57.85 1iq0 n TYR 166 Cb 0.45 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.82 1iq0 n TYR 166 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1iq0 n GLY 167 N 1.16 -0.48 3.81 2.72 0.00 0.35 -4.96 105.19 107.80 1iq0 n GLY 167 Ca 0.19 0.21 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 1iq0 n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iq0 s LEU 168 N -6.48 4.41 -0.05 0.99 1.43 -0.55 -5.05 118.68 113.38 1iq0 s LEU 168 Ca 0.11 0.82 0.05 0.00 -1.03 0.00 0.00 54.13 54.08 1iq0 s LEU 168 Cb -0.03 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 1iq0 s LEU 168 CO 0.80 0.26 -0.22 -0.89 0.23 0.00 0.00 176.35 176.54 1iq0 s THR 169 N -0.63 1.79 0.13 5.49 2.01 -1.26 -4.83 115.64 118.34 1iq0 s THR 169 Ca 0.22 -0.92 -0.31 0.00 0.31 0.00 0.00 61.69 60.98 1iq0 s THR 169 Cb -0.15 -1.52 -0.09 0.00 0.01 0.00 0.00 72.50 70.75 1iq0 s THR 169 CO 0.10 0.50 1.49 0.86 -0.69 0.00 0.00 174.62 176.89 1iq0 s TRP 170 N -0.12 3.11 -1.76 4.92 -0.00 -1.26 -4.90 118.94 118.94 1iq0 s TRP 170 Ca -0.03 0.76 0.26 0.00 -0.00 0.00 0.00 56.10 57.09 1iq0 s TRP 170 Cb -0.12 -3.81 1.44 0.00 -0.00 0.00 0.00 33.47 30.97 1iq0 s TRP 170 CO 0.03 -2.95 1.88 -0.40 -0.00 0.00 0.00 176.95 175.51 1iq0 n ASP 171 N 4.06 0.00 0.00 5.86 3.85 -1.26 -4.89 116.55 124.18 1iq0 n ASP 171 Ca 0.13 -0.50 0.00 0.00 -0.71 0.00 0.00 54.79 53.71 1iq0 n ASP 171 Cb 0.40 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 1iq0 n ASP 171 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iq0 n GLY 172 N 0.72 1.52 0.16 6.12 0.00 -1.26 -4.79 105.19 107.67 1iq0 n GLY 172 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1iq0 n GLY 172 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iq0 n LYS 173 N -2.00 0.00 -1.84 1.61 5.02 -1.26 -5.05 118.16 114.64 1iq0 n LYS 173 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1iq0 n LYS 173 Cb 0.00 -0.90 -0.01 0.00 -0.02 0.00 0.00 35.03 34.10 1iq0 n LYS 173 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1iq0 s GLU 174 N -1.96 4.15 -0.06 1.97 2.12 -1.26 -4.86 118.70 118.80 1iq0 s GLU 174 Ca 0.00 2.51 -0.35 0.00 0.36 0.00 0.00 54.97 57.50 1iq0 s GLU 174 Cb 0.00 -3.01 -0.13 0.00 0.26 0.00 0.00 34.13 31.25 1iq0 s GLU 174 CO 0.00 -0.53 1.81 1.17 -0.54 0.00 0.00 175.26 177.17 1iq0 n LYS 175 N 1.29 2.06 -0.30 4.30 4.81 -1.26 -4.82 118.16 124.25 1iq0 n LYS 175 Ca 0.04 0.75 0.13 0.00 -0.87 0.00 0.00 58.31 58.36 1iq0 n LYS 175 Cb 0.39 -2.57 0.29 0.00 0.02 0.00 0.00 35.03 33.16 1iq0 n LYS 175 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1iq0 h TYR 176 N 8.38 0.57 0.00 5.64 5.03 -1.92 0.02 116.97 134.68 1iq0 h TYR 176 Ca -0.48 0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.88 1iq0 h TYR 176 Cb 1.27 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.44 1iq0 h TYR 176 CO 0.82 -0.08 0.00 0.38 -1.32 0.00 0.00 178.16 177.96 1iq0 h ASP 177 N 0.35 0.00 0.35 -2.11 2.03 -1.87 -1.15 116.42 114.02 1iq0 h ASP 177 Ca 0.55 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.59 1iq0 h ASP 177 Cb 1.05 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.56 1iq0 h ASP 177 CO -0.55 0.00 -1.10 0.45 -1.03 0.00 0.00 179.24 177.01 1iq0 h HIS 178 N 0.00 0.70 -0.42 4.15 3.86 -1.36 -0.82 115.15 121.26 1iq0 h HIS 178 Ca 0.00 -0.43 -0.02 0.00 -1.16 0.00 0.00 60.37 58.77 1iq0 h HIS 178 Cb 0.54 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 1iq0 h HIS 178 CO 0.00 1.27 0.20 0.35 0.86 0.00 0.00 177.93 180.62 1iq0 h PHE 179 N 0.21 0.60 -0.60 2.45 3.57 -0.97 -1.17 116.94 121.03 1iq0 h PHE 179 Ca -0.12 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.28 1iq0 h PHE 179 Cb 1.77 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.30 1iq0 h PHE 179 CO 0.08 0.49 0.12 0.00 -2.23 0.00 0.00 178.31 176.77 1iq0 h ALA 180 N 1.05 0.79 -0.54 2.41 0.00 -1.21 -2.76 119.26 119.00 1iq0 h ALA 180 Ca 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1iq0 h ALA 180 Cb 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1iq0 h ALA 180 CO -0.02 0.52 0.24 0.78 0.00 0.00 0.00 179.25 180.77 1iq0 h GLY 181 N 0.87 0.81 0.96 0.00 0.00 -0.83 -0.65 103.07 104.23 1iq0 h GLY 181 Ca 0.18 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1iq0 h GLY 181 CO 0.01 0.36 0.20 -0.09 0.00 0.00 0.00 176.54 177.02 1iq0 h ARG 182 N 0.76 0.66 -0.47 4.80 2.43 -0.94 0.93 114.38 122.55 1iq0 h ARG 182 Ca 0.19 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1iq0 h ARG 182 Cb 0.11 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1iq0 h ARG 182 CO -0.02 0.58 0.25 0.00 -1.51 0.00 0.00 179.97 179.27 1iq0 h ALA 183 N 1.05 0.60 -0.49 2.80 0.00 -1.19 0.25 119.26 122.27 1iq0 h ALA 183 Ca 0.15 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1iq0 h ALA 183 Cb 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1iq0 h ALA 183 CO -0.02 0.13 0.29 -0.92 0.00 0.00 0.00 179.25 178.73 1iq0 h TYR 184 N 0.61 0.54 -0.73 0.00 3.20 -0.72 -1.43 116.97 118.44 1iq0 h TYR 184 Ca 0.16 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1iq0 h TYR 184 Cb 0.06 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 1iq0 h TYR 184 CO -0.02 0.31 0.28 0.28 -1.64 0.00 0.00 178.16 177.37 1iq0 h VAL 185 N 0.58 1.25 -0.41 1.81 2.07 -0.31 -2.48 116.25 118.75 1iq0 h VAL 185 Ca 0.20 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1iq0 h VAL 185 Cb 0.02 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1iq0 h VAL 185 CO -0.09 0.32 0.14 -0.09 0.02 0.00 0.00 177.57 177.87 1iq0 h ARG 186 N 1.07 0.64 -0.47 1.57 2.43 -0.42 -2.57 114.38 116.62 1iq0 h ARG 186 Ca 0.24 -0.13 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 1iq0 h ARG 186 Cb 0.22 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 1iq0 h ARG 186 CO -0.02 0.63 0.06 1.25 -1.51 0.00 0.00 179.97 180.38 1iq0 h LEU 187 N 0.53 -0.08 0.00 3.80 5.85 -0.99 -0.79 115.31 123.64 1iq0 h LEU 187 Ca 0.13 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1iq0 h LEU 187 Cb 0.25 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1iq0 h LEU 187 CO -0.01 -0.01 0.00 1.41 -0.34 0.00 0.00 178.44 179.50 1iq0 n HIS 188 N -5.15 0.00 0.74 1.25 8.25 -0.96 -2.10 115.22 117.24 1iq0 n HIS 188 Ca 0.05 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.59 1iq0 n HIS 188 Cb 0.24 -0.30 -0.04 0.00 1.12 0.00 0.00 29.99 31.01 1iq0 n HIS 188 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1iq0 n GLN 189 N -1.30 1.73 -2.04 -0.41 6.02 -0.50 -4.96 117.38 115.92 1iq0 n GLN 189 Ca 0.10 -0.44 -0.42 0.00 -0.01 0.00 0.00 57.00 56.23 1iq0 n GLN 189 Cb 0.18 -1.27 -0.03 0.00 1.02 0.00 0.00 30.24 30.15 1iq0 n GLN 189 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1iq0 s ASP 190 N -2.19 6.70 0.48 1.08 -1.08 -0.42 -4.89 116.67 116.34 1iq0 s ASP 190 Ca 0.10 2.37 0.21 0.00 -0.52 0.00 0.00 52.55 54.72 1iq0 s ASP 190 Cb 0.13 -2.57 1.24 0.00 -1.46 0.00 0.00 42.92 40.25 1iq0 s ASP 190 CO 0.52 -0.80 1.95 -0.65 0.52 0.00 0.00 175.17 176.71 1iq0 h PRO 191 N 7.83 0.20 -0.86 4.34 0.11 -1.91 -1.97 132.00 139.74 1iq0 h PRO 191 Ca -0.41 -0.01 -0.55 0.00 0.11 0.00 0.00 66.00 65.14 1iq0 h PRO 191 Cb 1.20 -0.04 -0.29 0.00 0.11 0.00 0.00 31.00 31.97 1iq0 h PRO 191 CO 0.91 0.13 0.41 -0.85 -0.21 0.00 0.00 178.00 178.39 1iq0 n GLU 192 N -4.42 2.61 -0.22 1.05 0.28 -1.26 -4.67 120.64 114.01 1iq0 n GLU 192 Ca 0.13 -3.36 -0.03 0.00 -0.16 0.00 0.00 57.16 53.75 1iq0 n GLU 192 Cb 0.61 -2.19 0.08 0.00 1.43 0.00 0.00 31.44 31.36 1iq0 n GLU 192 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 1iq0 h TYR 193 N 1.65 0.67 -0.44 -1.84 3.20 -1.62 -2.52 116.97 116.06 1iq0 h TYR 193 Ca 0.52 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.40 1iq0 h TYR 193 Cb 1.53 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.57 1iq0 h TYR 193 CO 1.32 0.34 0.22 0.93 -1.64 0.00 0.00 178.16 179.33 1iq0 h GLU 194 N 0.69 0.63 0.00 1.82 4.39 -1.86 -2.12 114.58 118.14 1iq0 h GLU 194 Ca 0.27 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1iq0 h GLU 194 Cb 0.13 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1iq0 h GLU 194 CO -0.15 0.54 0.00 -0.09 -1.16 0.00 0.00 179.01 178.15 1iq0 h ARG 195 N 0.57 0.00 -0.00 2.33 2.43 -1.82 -2.05 114.38 115.84 1iq0 h ARG 195 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1iq0 h ARG 195 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1iq0 h ARG 195 CO -0.02 0.00 -0.26 1.28 -1.51 0.00 0.00 179.97 179.46 1iq0 n LEU 196 N -3.06 0.61 -0.25 3.80 4.77 -0.80 -4.36 117.00 117.72 1iq0 n LEU 196 Ca -0.02 -0.03 0.04 0.00 -0.03 0.00 0.00 56.01 55.97 1iq0 n LEU 196 Cb 0.10 -0.22 0.17 0.00 -2.33 0.00 0.00 43.42 41.15 1iq0 n LEU 196 CO 0.21 0.12 1.00 1.56 -1.33 0.00 0.00 177.39 178.95 1iq0 h GLN 197 N 0.55 0.40 -0.70 3.23 1.08 -1.37 -1.25 115.11 117.04 1iq0 h GLN 197 Ca 0.00 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.22 1iq0 h GLN 197 Cb 0.46 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.75 1iq0 h GLN 197 CO 0.00 0.26 0.42 -1.35 -0.95 0.00 0.00 178.83 177.21 1iq0 h PRO 198 N 0.41 0.77 -0.57 1.46 0.11 -1.83 0.74 132.00 133.10 1iq0 h PRO 198 Ca 0.40 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.40 1iq0 h PRO 198 Cb 0.60 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1iq0 h PRO 198 CO -0.40 0.51 0.10 0.00 -0.21 0.00 0.00 178.00 178.00 1iq0 h ALA 199 N 1.33 1.10 -0.58 -0.75 0.00 -1.61 -2.43 119.26 116.31 1iq0 h ALA 199 Ca 0.29 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1iq0 h ALA 199 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1iq0 h ALA 199 CO -0.14 0.59 0.03 0.82 0.00 0.00 0.00 179.25 180.55 1iq0 h ILE 200 N 0.87 1.26 -0.45 0.00 2.04 -0.38 -2.63 117.51 118.21 1iq0 h ILE 200 Ca 0.18 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 1iq0 h ILE 200 Cb 0.37 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1iq0 h ILE 200 CO 0.01 0.39 0.27 -0.33 0.00 0.00 0.00 178.15 178.49 1iq0 h GLU 201 N 0.90 0.60 -0.72 2.37 4.39 -0.42 -0.71 114.58 121.00 1iq0 h GLU 201 Ca 0.17 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 1iq0 h GLU 201 Cb 0.48 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1iq0 h GLU 201 CO 0.02 0.42 0.20 0.93 -1.16 0.00 0.00 179.01 179.42 1iq0 h GLU 202 N 0.61 1.13 -0.12 2.33 5.08 -1.09 -0.42 114.58 122.10 1iq0 h GLU 202 Ca 0.16 -0.25 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 1iq0 h GLU 202 Cb -0.03 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1iq0 h GLU 202 CO -0.03 0.97 -0.68 0.28 -1.00 0.00 0.00 179.01 178.55 1iq0 h VAL 203 N 1.08 1.34 -0.86 3.13 2.07 -1.28 -2.83 116.25 118.89 1iq0 h VAL 203 Ca 0.23 -2.00 0.01 0.00 0.82 0.00 0.00 66.70 65.76 1iq0 h VAL 203 Cb 0.33 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1iq0 h VAL 203 CO -0.00 0.61 0.56 0.25 0.02 0.00 0.00 177.57 179.01 1iq0 h LEU 204 N 0.37 1.00 -0.35 2.57 6.46 -0.69 0.32 115.31 124.99 1iq0 h LEU 204 Ca -0.02 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1iq0 h LEU 204 Cb 1.25 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1iq0 h LEU 204 CO 0.12 0.74 0.18 -0.74 -0.62 0.00 0.00 178.44 178.12 1iq0 h HIS 205 N 1.18 0.48 -0.42 1.25 2.76 -1.02 0.27 115.15 119.65 1iq0 h HIS 205 Ca 0.32 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.38 1iq0 h HIS 205 Cb -0.12 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 1iq0 h HIS 205 CO -0.01 0.39 -0.13 0.00 -1.30 0.00 0.00 177.93 176.89 1iq0 h ALA 206 N 1.04 0.99 -0.21 5.26 0.00 -1.16 -1.92 119.26 123.28 1iq0 h ALA 206 Ca 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1iq0 h ALA 206 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1iq0 h ALA 206 CO -0.02 0.60 0.07 1.25 0.00 0.00 0.00 179.25 181.16 1iq0 h LEU 207 N 0.68 0.29 -2.25 0.00 5.85 0.03 -2.32 115.31 117.60 1iq0 h LEU 207 Ca 0.11 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1iq0 h LEU 207 Cb 0.60 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1iq0 h LEU 207 CO 0.04 0.40 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.17 1iq0 h GLU 208 N 0.17 0.00 -0.00 1.25 5.08 -0.22 0.14 114.58 121.01 1iq0 h GLU 208 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1iq0 h GLU 208 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1iq0 h GLU 208 CO -0.00 0.03 -0.00 0.54 -1.00 0.00 0.00 179.01 178.58 1iq0 n ARG 209 N -3.94 1.07 -1.35 2.33 1.74 -0.74 -4.88 116.66 110.88 1iq0 n ARG 209 Ca -0.03 -0.11 -0.04 0.00 -0.77 0.00 0.00 57.85 56.89 1iq0 n ARG 209 Cb 0.12 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 1iq0 n ARG 209 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iq0 n GLY 210 N 1.02 0.60 0.60 -0.13 0.00 0.04 -4.94 105.19 102.38 1iq0 n GLY 210 Ca 0.23 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.56 1iq0 n GLY 210 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iq0 n GLU 211 N -2.54 1.82 -0.57 1.61 1.02 -0.92 -4.11 120.64 116.95 1iq0 n GLU 211 Ca -0.05 -1.20 0.06 0.00 -0.02 0.00 0.00 57.16 55.95 1iq0 n GLU 211 Cb 0.24 -1.48 0.14 0.00 -0.02 0.00 0.00 31.44 30.32 1iq0 n GLU 211 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1iq0 n LEU 212 N 0.46 2.03 -0.20 -4.62 7.99 -1.26 -4.85 117.00 116.55 1iq0 n LEU 212 Ca 0.18 -3.04 -0.06 0.00 -0.01 0.00 0.00 56.01 53.07 1iq0 n LEU 212 Cb 0.42 -0.36 0.03 0.00 -0.11 0.00 0.00 43.42 43.40 1iq0 n LEU 212 CO 0.16 0.93 1.11 -0.09 -1.51 0.00 0.00 177.39 177.99 1iq0 h ARG 213 N 0.59 0.77 -0.80 3.23 2.43 -1.91 -2.32 114.38 116.36 1iq0 h ARG 213 Ca -0.04 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1iq0 h ARG 213 Cb 1.19 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.52 1iq0 h ARG 213 CO 0.02 0.53 0.51 0.93 -1.51 0.00 0.00 179.97 180.44 1iq0 h GLU 214 N 0.79 0.97 -0.89 0.20 4.39 -1.92 0.29 114.58 118.41 1iq0 h GLU 214 Ca 0.21 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1iq0 h GLU 214 Cb -0.07 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.32 1iq0 h GLU 214 CO -0.04 0.64 0.56 0.93 -1.16 0.00 0.00 179.01 179.94 1iq0 h GLU 215 N 1.00 1.19 -0.25 2.33 3.07 -1.86 -1.99 114.58 118.07 1iq0 h GLU 215 Ca 0.32 -0.09 -0.12 0.00 -0.50 0.00 0.00 59.36 58.97 1iq0 h GLU 215 Cb 0.00 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 27.65 1iq0 h GLU 215 CO -0.11 0.81 -0.32 0.28 -1.40 0.00 0.00 179.01 178.27 1iq0 h VAL 216 N 1.22 1.31 -0.70 3.13 2.07 -0.73 -3.13 116.25 119.41 1iq0 h VAL 216 Ca 0.32 -1.51 0.11 0.00 0.82 0.00 0.00 66.70 66.44 1iq0 h VAL 216 Cb -0.10 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1iq0 h VAL 216 CO -0.07 0.48 0.47 -1.13 0.02 0.00 0.00 177.57 177.34 1iq0 h ASN 217 N 0.38 0.47 -0.82 0.57 -0.00 0.05 -1.01 115.58 115.22 1iq0 h ASN 217 Ca 0.03 0.01 -0.00 0.00 -0.00 0.00 0.00 56.30 56.35 1iq0 h ASN 217 Cb 0.90 -0.08 -0.04 0.00 -0.00 0.00 0.00 38.32 39.10 1iq0 h ASN 217 CO 0.08 0.27 0.51 0.03 -0.00 0.00 0.00 177.43 178.31 1iq0 h ARG 218 N 0.51 1.10 -0.25 6.67 3.08 -1.32 -0.19 114.38 123.99 1iq0 h ARG 218 Ca 0.33 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.20 1iq0 h ARG 218 Cb 0.59 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1iq0 h ARG 218 CO -0.11 0.76 -0.18 0.82 -1.07 0.00 0.00 179.97 180.20 1iq0 h ILE 219 N 1.12 1.31 -0.93 2.04 2.04 -1.30 -3.17 117.51 118.61 1iq0 h ILE 219 Ca 0.29 -1.30 0.03 0.00 1.00 0.00 0.00 64.86 64.88 1iq0 h ILE 219 Cb -0.07 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 1iq0 h ILE 219 CO -0.06 0.41 0.61 0.25 0.00 0.00 0.00 178.15 179.36 1iq0 h LEU 220 N 0.27 1.03 -1.02 1.44 5.85 -0.85 -1.53 115.31 120.48 1iq0 h LEU 220 Ca 0.05 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1iq0 h LEU 220 Cb 0.71 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 1iq0 h LEU 220 CO 0.05 0.72 0.66 -0.07 -0.34 0.00 0.00 178.44 179.45 1iq0 h LEU 221 N 1.20 1.10 -0.51 2.25 3.38 -1.03 0.92 115.31 122.62 1iq0 h LEU 221 Ca 0.36 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.15 1iq0 h LEU 221 Cb -0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1iq0 h LEU 221 CO -0.11 0.77 -0.59 0.00 0.09 0.00 0.00 178.44 178.60 1iq0 h ALA 222 N 1.41 0.70 -0.34 1.53 0.00 -1.39 -2.74 119.26 118.42 1iq0 h ALA 222 Ca 0.39 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1iq0 h ALA 222 Cb -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1iq0 h ALA 222 CO -0.11 0.70 -0.15 1.96 0.00 0.00 0.00 179.25 181.65 1iq0 h GLN 223 N 0.36 0.61 0.00 0.00 4.20 -0.65 -2.52 115.11 117.12 1iq0 h GLN 223 Ca -0.00 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 1iq0 h GLN 223 Cb 1.14 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 1iq0 h GLN 223 CO 0.11 0.74 -0.10 1.98 -0.67 0.00 0.00 178.83 180.89 1iq0 h MET 224 N 0.56 0.00 -0.31 1.46 4.05 -0.54 -1.38 114.93 118.76 1iq0 h MET 224 Ca 0.09 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.42 1iq0 h MET 224 Cb 0.58 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1iq0 h MET 224 CO 0.04 0.10 -0.19 0.00 0.23 0.00 0.00 176.91 177.09 1iq0 h ALA 225 N 1.90 1.08 -0.25 0.39 0.00 -1.25 -0.57 119.26 120.56 1iq0 h ALA 225 Ca -0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1iq0 h ALA 225 Cb 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1iq0 h ALA 225 CO 0.01 0.56 -0.33 1.15 0.00 0.00 0.00 179.25 180.64 1iq0 h THR 226 N 0.52 1.31 -0.63 0.00 2.02 -1.33 -1.41 112.91 113.40 1iq0 h THR 226 Ca 0.08 -1.52 0.02 0.00 0.77 0.00 0.00 66.41 65.76 1iq0 h THR 226 Cb 0.62 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 1iq0 h THR 226 CO 0.04 0.48 0.40 0.24 0.37 0.00 0.00 175.52 177.05 1iq0 h MET 227 N 0.38 0.77 -0.55 6.66 2.86 -1.15 -1.48 114.93 122.43 1iq0 h MET 227 Ca 0.03 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1iq0 h MET 227 Cb 0.91 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1iq0 h MET 227 CO 0.08 0.51 0.24 1.25 1.06 0.00 0.00 176.91 180.05 1iq0 h HIS 228 N 0.79 0.81 0.00 -0.22 6.17 -1.03 -2.27 115.15 119.41 1iq0 h HIS 228 Ca 0.24 -0.05 -0.01 0.00 0.71 0.00 0.00 60.37 61.27 1iq0 h HIS 228 Cb -0.02 -0.25 -0.00 0.00 2.52 0.00 0.00 27.41 29.66 1iq0 h HIS 228 CO -0.04 0.65 -0.03 0.00 0.71 0.00 0.00 177.93 179.21 1iq0 h ALA 229 N 1.08 1.04 -0.09 5.26 0.00 -0.72 -0.54 119.26 125.29 1iq0 h ALA 229 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1iq0 h ALA 229 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1iq0 h ALA 229 CO -0.02 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1iq0 n LEU 230 N -3.17 1.20 -3.28 0.00 4.77 -0.60 -4.92 117.00 110.99 1iq0 n LEU 230 Ca -0.01 -0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 55.28 1iq0 n LEU 230 Cb 0.24 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1iq0 n LEU 230 CO 0.26 0.23 0.17 -3.20 -1.33 0.00 0.00 177.39 173.53 1iq0 n ASN 231 N -0.02 -6.11 -4.89 -1.43 5.15 -0.21 -4.98 115.26 102.77 1iq0 n ASN 231 Ca 0.17 -0.45 -0.32 0.00 -0.60 0.00 0.00 54.58 53.38 1iq0 n ASN 231 Cb 0.27 -4.79 -0.05 0.00 -0.53 0.00 0.00 39.78 34.68 1iq0 n ASN 231 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iq0 s ALA 232 N -3.26 3.71 0.05 5.20 0.00 -1.06 -4.88 121.76 121.52 1iq0 s ALA 232 Ca 0.49 -0.44 0.08 0.00 0.00 0.00 0.00 51.96 52.09 1iq0 s ALA 232 Cb -0.21 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 1iq0 s ALA 232 CO 0.60 0.60 -0.21 1.03 0.00 0.00 0.00 175.76 177.78 1iq0 s ARG 233 N -2.60 1.92 0.00 0.00 0.52 -1.26 -4.67 118.95 112.86 1iq0 s ARG 233 Ca 0.42 -1.06 0.01 0.00 -0.52 0.00 0.00 55.73 54.58 1iq0 s ARG 233 Cb -0.12 -2.10 -0.01 0.00 0.52 0.00 0.00 34.95 33.24 1iq0 s ARG 233 CO 0.23 0.52 -0.03 0.71 0.02 0.00 0.00 175.30 176.74 1iq0 s TYR 234 N -0.92 0.31 -0.20 -0.53 1.51 -1.26 -4.86 117.35 111.40 1iq0 s TYR 234 Ca 0.14 -0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 56.06 1iq0 s TYR 234 Cb -0.10 -0.20 -0.12 0.00 -0.11 0.00 0.00 41.96 41.43 1iq0 s TYR 234 CO 0.05 -0.03 -0.20 -0.25 -1.11 0.00 0.00 175.55 174.02 1iq0 n ASP 235 N 2.76 2.24 -4.21 2.29 9.92 -0.39 -4.55 116.55 124.60 1iq0 n ASP 235 Ca -0.14 -0.01 -0.20 0.00 -0.53 0.00 0.00 54.79 53.91 1iq0 n ASP 235 Cb 0.58 -0.38 -0.12 0.00 -0.64 0.00 0.00 41.12 40.56 1iq0 n ASP 235 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1iq0 s LEU 236 N -6.38 2.31 -0.07 0.64 1.43 -0.42 -1.27 118.68 114.92 1iq0 s LEU 236 Ca -0.27 -0.67 0.04 0.00 -1.03 0.00 0.00 54.13 52.20 1iq0 s LEU 236 Cb 0.08 -0.61 -0.00 0.00 0.03 0.00 0.00 46.19 45.68 1iq0 s LEU 236 CO 0.43 -0.06 -0.20 -0.76 0.23 0.00 0.00 176.35 175.99 1iq0 s LEU 237 N -1.92 1.95 -0.12 1.79 1.02 0.24 -0.85 118.68 120.78 1iq0 s LEU 237 Ca 0.02 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.74 1iq0 s LEU 237 Cb -0.09 -1.15 0.02 0.00 0.02 0.00 0.00 46.19 45.00 1iq0 s LEU 237 CO 0.03 0.15 -0.11 -0.69 0.02 0.00 0.00 176.35 175.75 1iq0 s VAL 238 N 0.19 1.28 -0.07 -1.59 1.01 -0.89 -1.04 120.40 119.28 1iq0 s VAL 238 Ca -0.10 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1iq0 s VAL 238 Cb -0.14 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1iq0 s VAL 238 CO 0.05 0.41 0.34 0.26 0.00 0.00 0.00 175.10 176.15 1iq0 s TRP 239 N 1.49 3.62 0.24 5.22 0.52 -1.26 -0.30 118.94 128.47 1iq0 s TRP 239 Ca 0.03 0.80 -0.05 0.00 0.02 0.00 0.00 56.10 56.90 1iq0 s TRP 239 Cb -0.13 -2.26 0.41 0.00 -1.15 0.00 0.00 33.47 30.34 1iq0 s TRP 239 CO -0.08 0.52 1.76 1.49 0.02 0.00 0.00 176.95 180.67 1iq0 h GLU 240 N 5.42 0.56 -0.18 4.98 4.57 -1.53 -0.26 114.58 128.14 1iq0 h GLU 240 Ca -0.49 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.65 1iq0 h GLU 240 Cb 1.20 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1iq0 h GLU 240 CO 0.66 0.37 0.09 0.66 -1.18 0.00 0.00 179.01 179.61 1iq0 h SER 241 N 0.58 0.21 0.53 1.04 4.64 -1.93 -0.45 113.55 118.17 1iq0 h SER 241 Ca 0.39 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.51 1iq0 h SER 241 Cb 0.49 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1iq0 h SER 241 CO -0.32 0.18 -0.84 0.44 -0.87 0.00 0.00 176.83 175.42 1iq0 h ASP 242 N 0.25 0.28 -0.44 4.97 3.45 -1.50 -2.30 116.42 121.13 1iq0 h ASP 242 Ca 0.06 -0.22 -0.06 0.00 0.43 0.00 0.00 57.03 57.25 1iq0 h ASP 242 Cb 0.02 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 1iq0 h ASP 242 CO -0.01 1.00 0.09 0.40 -1.57 0.00 0.00 179.24 179.15 1iq0 h ILE 243 N 0.13 1.23 -0.14 0.35 2.04 0.11 -0.45 117.51 120.78 1iq0 h ILE 243 Ca -0.04 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 1iq0 h ILE 243 Cb 1.45 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1iq0 h ILE 243 CO 0.13 0.31 -0.05 0.58 0.00 0.00 0.00 178.15 179.12 1iq0 h VAL 244 N 0.76 1.30 -0.56 1.67 2.07 -1.04 -3.00 116.25 117.44 1iq0 h VAL 244 Ca 0.16 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1iq0 h VAL 244 Cb 0.33 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1iq0 h VAL 244 CO 0.00 0.31 0.31 -0.09 0.02 0.00 0.00 177.57 178.12 1iq0 h ARG 245 N -0.04 0.77 0.00 1.57 2.43 -1.16 -0.92 114.38 117.02 1iq0 h ARG 245 Ca 0.03 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1iq0 h ARG 245 Cb 0.50 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1iq0 h ARG 245 CO 0.02 0.57 0.00 0.00 -1.51 0.00 0.00 179.97 179.04 1iq0 n ALA 246 N -2.45 1.68 -2.37 2.80 0.00 -0.20 -4.89 120.51 115.08 1iq0 n ALA 246 Ca 0.05 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1iq0 n ALA 246 Cb 0.10 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 1iq0 n ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iq0 n GLY 247 N 0.01 -0.42 0.35 0.00 0.00 -0.35 -4.67 105.19 100.10 1iq0 n GLY 247 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1iq0 n GLY 247 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1iq0 h LEU 248 N 0.00 0.90 0.64 0.99 3.38 -1.79 -2.49 115.31 116.94 1iq0 h LEU 248 Ca -0.49 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 1iq0 h LEU 248 Cb 1.37 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1iq0 h LEU 248 CO 0.59 0.68 -0.44 0.25 0.09 0.00 0.00 178.44 179.60 1iq0 h LEU 249 N 1.05 -1.13 -0.94 1.67 5.85 -1.90 0.04 115.31 119.94 1iq0 h LEU 249 Ca 0.28 0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.12 1iq0 h LEU 249 Cb -0.07 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 1iq0 h LEU 249 CO -0.06 -0.66 0.60 1.56 -0.34 0.00 0.00 178.44 179.55 1iq0 h GLN 250 N -1.04 1.10 -0.67 1.25 1.08 -1.95 0.36 115.11 115.24 1iq0 h GLN 250 Ca -0.08 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.01 1iq0 h GLN 250 Cb 0.85 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 28.01 1iq0 h GLN 250 CO 0.05 0.73 0.26 0.87 -0.95 0.00 0.00 178.83 179.79 1iq0 h LYS 251 N 1.13 1.00 -0.25 1.46 1.57 -1.29 0.74 116.57 120.93 1iq0 h LYS 251 Ca 0.39 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1iq0 h LYS 251 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1iq0 h LYS 251 CO -0.15 0.84 -0.02 0.00 -0.57 0.00 0.00 179.45 179.55 1iq0 h ALA 252 N 1.11 0.35 -0.58 3.86 0.00 -0.36 -1.43 119.26 122.21 1iq0 h ALA 252 Ca 0.22 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1iq0 h ALA 252 Cb 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1iq0 h ALA 252 CO -0.02 0.10 0.35 -0.07 0.00 0.00 0.00 179.25 179.62 1iq0 h LEU 253 N 0.23 0.56 -0.82 0.00 4.07 -0.72 0.31 115.31 118.94 1iq0 h LEU 253 Ca 0.07 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 1iq0 h LEU 253 Cb 0.46 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1iq0 h LEU 253 CO 0.02 0.39 0.07 0.00 -1.08 0.00 0.00 178.44 177.84 1iq0 h ALA 254 N 1.26 1.02 -0.38 1.53 0.00 -0.73 -0.99 119.26 120.98 1iq0 h ALA 254 Ca 0.23 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1iq0 h ALA 254 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1iq0 h ALA 254 CO -0.10 0.62 -0.16 1.25 0.00 0.00 0.00 179.25 180.86 1iq0 h LEU 255 N 0.90 0.79 -0.68 0.00 5.85 -0.72 -3.21 115.31 118.24 1iq0 h LEU 255 Ca 0.18 -0.39 -0.10 0.00 0.84 0.00 0.00 57.88 58.40 1iq0 h LEU 255 Cb 0.42 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1iq0 h LEU 255 CO 0.01 1.01 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.96 1iq0 h LEU 256 N 0.57 0.93 0.00 2.25 3.38 -0.70 -2.76 115.31 118.97 1iq0 h LEU 256 Ca 0.09 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1iq0 h LEU 256 Cb 0.70 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1iq0 h LEU 256 CO 0.05 1.03 0.00 -0.62 0.09 0.00 0.00 178.44 178.99 1iq0 n GLU 257 N -4.16 0.02 0.24 1.13 1.02 -0.40 -0.79 120.64 117.71 1iq0 n GLU 257 Ca 0.02 0.36 0.14 0.00 -0.02 0.00 0.00 57.16 57.65 1iq0 n GLU 257 Cb 0.38 -1.50 0.39 0.00 -0.02 0.00 0.00 31.44 30.69 1iq0 n GLU 257 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1iq0 h GLN 258 N 0.00 0.00 -6.74 3.49 4.20 -1.54 -3.45 115.11 111.07 1iq0 h GLN 258 Ca 0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 1iq0 h GLN 258 Cb 0.09 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1iq0 h GLN 258 CO 0.00 0.04 0.37 0.45 -0.67 0.00 0.00 178.83 179.01 1iq0 s SER 259 N -6.01 7.59 0.48 1.46 0.15 0.03 -4.94 113.70 112.46 1iq0 s SER 259 Ca 0.04 1.97 0.32 0.00 0.70 0.00 0.00 55.95 58.99 1iq0 s SER 259 Cb 0.07 -2.61 1.44 0.00 -1.71 0.00 0.00 66.02 63.21 1iq0 s SER 259 CO 0.62 0.10 1.96 1.55 1.20 0.00 0.00 173.24 178.67 1iq0 h PRO 260 N 4.26 0.00 -0.40 5.44 0.13 -1.87 -2.22 132.00 137.35 1iq0 h PRO 260 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1iq0 h PRO 260 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1iq0 h PRO 260 CO 0.68 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.17 1iq0 n HIS 261 N -2.82 0.53 -4.03 1.56 8.25 -1.26 -4.67 115.22 112.77 1iq0 n HIS 261 Ca 0.00 -0.26 -0.31 0.00 -0.26 0.00 0.00 57.72 56.88 1iq0 n HIS 261 Cb 0.23 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.19 1iq0 n HIS 261 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1iq0 s VAL 262 N -1.47 1.98 0.29 1.59 1.01 -0.84 0.35 120.40 123.30 1iq0 s VAL 262 Ca 0.31 -1.52 -0.15 0.00 0.00 0.00 0.00 61.98 60.62 1iq0 s VAL 262 Cb 0.16 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.42 1iq0 s VAL 262 CO 0.22 -0.05 0.61 0.72 0.00 0.00 0.00 175.10 176.59 1iq0 s PHE 263 N 1.19 0.20 -0.36 5.22 -0.12 -0.58 -4.74 117.98 118.79 1iq0 s PHE 263 Ca -0.08 -0.64 -0.08 0.00 -0.05 0.00 0.00 56.93 56.08 1iq0 s PHE 263 Cb -0.20 0.44 0.05 0.00 -0.63 0.00 0.00 43.02 42.68 1iq0 s PHE 263 CO -0.05 -1.18 0.16 1.03 -0.05 0.00 0.00 175.22 175.13 1iq0 s ARG 264 N -3.62 2.66 0.16 1.99 0.52 -1.26 -1.29 118.95 118.10 1iq0 s ARG 264 Ca 0.18 -1.22 -0.31 0.00 -0.52 0.00 0.00 55.73 53.86 1iq0 s ARG 264 Cb -0.03 -3.60 -0.11 0.00 0.52 0.00 0.00 34.95 31.73 1iq0 s ARG 264 CO 0.10 -0.74 1.75 -2.14 0.02 0.00 0.00 175.30 174.29 1iq0 s PRO 265 N 1.44 4.14 0.25 3.54 0.02 -1.25 -4.80 135.00 138.34 1iq0 s PRO 265 Ca 0.00 2.57 0.25 0.00 0.02 0.00 0.00 61.00 63.84 1iq0 s PRO 265 Cb -0.20 -3.32 0.90 0.00 0.02 0.00 0.00 34.50 31.90 1iq0 s PRO 265 CO 0.04 -0.77 1.75 2.89 -0.33 0.00 0.00 177.00 180.57 1iq0 n ARG 266 N 4.76 0.24 -3.99 5.54 0.00 -1.26 -1.68 116.66 120.27 1iq0 n ARG 266 Ca 0.16 0.33 -0.09 0.00 -0.00 0.00 0.00 57.85 58.25 1iq0 n ARG 266 Cb 0.37 -1.86 -0.05 0.00 -0.00 0.00 0.00 32.46 30.92 1iq0 n ARG 266 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1iq0 s GLU 267 N -3.22 1.53 0.00 2.89 2.02 -1.26 -4.74 118.70 115.92 1iq0 s GLU 267 Ca 0.07 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.83 1iq0 s GLU 267 Cb 0.11 0.47 0.00 0.00 0.10 0.00 0.00 34.13 34.81 1iq0 s GLU 267 CO 0.50 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1iq0 n GLY 268 N -0.38 -2.40 0.17 -1.39 0.00 -1.26 -3.96 105.19 95.98 1iq0 n GLY 268 Ca -0.02 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1iq0 n GLY 268 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1iq0 n LYS 269 N -0.01 0.93 0.00 1.61 -0.00 -1.26 -2.52 118.16 116.91 1iq0 n LYS 269 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1iq0 n LYS 269 Cb 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 35.03 33.87 1iq0 n LYS 269 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1iq0 n TYR 270 N -0.31 0.00 -1.59 5.58 4.02 -1.26 -5.04 117.16 118.55 1iq0 n TYR 270 Ca 0.00 -0.05 -0.54 0.00 -0.01 0.00 0.00 57.90 57.31 1iq0 n TYR 270 Cb 0.08 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.33 1iq0 n TYR 270 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iq0 n ALA 271 N -0.05 -1.23 0.00 -0.72 0.00 -1.05 -0.36 120.51 117.10 1iq0 n ALA 271 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1iq0 n ALA 271 Cb 0.16 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1iq0 n ALA 271 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iq0 n GLY 272 N 2.57 3.14 3.87 0.00 0.00 -0.68 -4.73 105.19 109.35 1iq0 n GLY 272 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1iq0 n GLY 272 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq0 s ALA 273 N -1.65 3.46 -0.24 4.61 0.00 0.51 -4.27 121.76 124.18 1iq0 s ALA 273 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 1iq0 s ALA 273 Cb 0.00 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 1iq0 s ALA 273 CO 0.00 0.38 0.37 -1.17 0.00 0.00 0.00 175.76 175.34 1iq0 s LEU 274 N -3.01 4.09 0.17 0.00 2.96 0.72 -3.74 118.68 119.87 1iq0 s LEU 274 Ca 0.50 0.36 0.08 0.00 -0.22 0.00 0.00 54.13 54.85 1iq0 s LEU 274 Cb -0.11 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 1iq0 s LEU 274 CO 0.21 -0.13 -0.17 0.54 -1.32 0.00 0.00 176.35 175.48 1iq0 s VAL 275 N 1.72 1.78 -0.20 1.68 0.11 -0.41 -0.54 120.40 124.54 1iq0 s VAL 275 Ca 0.16 -1.96 -0.02 0.00 -2.93 0.00 0.00 61.98 57.23 1iq0 s VAL 275 Cb -0.15 -1.86 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1iq0 s VAL 275 CO 0.09 -0.37 -0.10 -0.32 -3.33 0.00 0.00 175.10 171.06 1iq0 s MET 276 N -2.94 3.25 -0.54 1.54 1.75 0.27 -1.52 119.30 121.10 1iq0 s MET 276 Ca 0.17 -0.70 -0.23 0.00 -1.25 0.00 0.00 55.69 53.68 1iq0 s MET 276 Cb -0.05 -2.82 0.05 0.00 2.84 0.00 0.00 34.83 34.85 1iq0 s MET 276 CO 0.07 -0.16 0.87 0.34 -0.65 0.00 0.00 175.02 175.48 1iq0 s ASP 277 N 1.30 6.31 0.00 1.11 3.68 0.15 -1.47 116.67 127.76 1iq0 s ASP 277 Ca 0.04 -0.50 0.29 0.00 2.13 0.00 0.00 52.55 54.51 1iq0 s ASP 277 Cb -0.14 -2.40 1.24 0.00 -1.45 0.00 0.00 42.92 40.17 1iq0 s ASP 277 CO -0.06 -1.15 1.85 0.00 0.13 0.00 0.00 175.17 175.95 1iq0 n ALA 278 N 7.16 2.69 -0.14 3.66 0.00 0.95 -4.33 120.51 130.49 1iq0 n ALA 278 Ca -0.00 -0.35 0.03 0.00 0.00 0.00 0.00 53.44 53.12 1iq0 n ALA 278 Cb 0.47 -1.27 0.32 0.00 0.00 0.00 0.00 19.45 18.97 1iq0 n ALA 278 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1iq0 h SER 279 N 1.35 0.70 0.38 0.00 4.64 -1.74 0.11 113.55 118.99 1iq0 h SER 279 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1iq0 h SER 279 Cb 0.36 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1iq0 h SER 279 CO 0.00 0.49 0.00 -0.81 -0.87 0.00 0.00 176.83 175.64 1iq0 n PRO 280 N -4.45 0.00 0.00 4.77 -0.04 -1.26 -3.10 135.00 130.92 1iq0 n PRO 280 Ca 0.07 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1iq0 n PRO 280 Cb 0.09 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1iq0 n PRO 280 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1iq0 n VAL 281 N -1.50 0.00 -3.86 0.52 0.24 -0.93 -4.95 118.33 107.85 1iq0 n VAL 281 Ca 0.03 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.02 1iq0 n VAL 281 Cb 0.13 0.30 -0.15 0.00 -1.47 0.00 0.00 33.84 32.65 1iq0 n VAL 281 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1iq0 s ILE 282 N -1.67 1.57 0.70 1.34 1.01 0.34 -5.02 121.20 119.48 1iq0 s ILE 282 Ca 0.00 -1.95 -0.14 0.00 0.00 0.00 0.00 60.65 58.56 1iq0 s ILE 282 Cb 0.00 -2.17 0.02 0.00 0.01 0.00 0.00 42.46 40.32 1iq0 s ILE 282 CO 0.00 -0.66 1.11 -2.16 0.00 0.00 0.00 174.94 173.23 1iq0 s PRO 283 N 1.16 2.57 -0.35 2.79 0.04 -1.26 -4.27 135.00 135.68 1iq0 s PRO 283 Ca 0.11 1.37 -0.07 0.00 0.04 0.00 0.00 61.00 62.45 1iq0 s PRO 283 Cb -0.19 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1iq0 s PRO 283 CO -0.15 -1.43 0.25 0.41 0.04 0.00 0.00 177.00 176.12 1iq0 n GLY 284 N -0.60 -3.01 3.33 0.56 0.00 -1.26 -5.07 105.19 99.14 1iq0 n GLY 284 Ca 0.10 0.77 -0.09 0.00 0.00 0.00 0.00 46.02 46.81 1iq0 n GLY 284 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iq0 s LEU 285 N -1.99 -0.50 0.13 0.99 1.43 -1.26 -5.05 118.68 112.43 1iq0 s LEU 285 Ca 0.10 1.05 -0.23 0.00 -1.03 0.00 0.00 54.13 54.02 1iq0 s LEU 285 Cb -0.03 1.53 -0.03 0.00 0.03 0.00 0.00 46.19 47.69 1iq0 s LEU 285 CO 0.75 -0.22 1.66 -0.08 0.23 0.00 0.00 176.35 178.69 1iq0 h GLU 286 N 7.63 -0.25 -3.69 1.70 4.22 -1.99 -3.36 114.58 118.83 1iq0 h GLU 286 Ca -0.26 0.02 -0.57 0.00 0.08 0.00 0.00 59.36 58.63 1iq0 h GLU 286 Cb 1.15 0.06 -0.40 0.00 0.50 0.00 0.00 28.75 30.06 1iq0 h GLU 286 CO 0.19 -0.17 -0.76 0.34 -2.18 0.00 0.00 179.01 176.43 1iq0 s ASP 287 N -5.00 3.68 -0.05 1.04 -1.08 -1.26 -5.00 116.67 109.00 1iq0 s ASP 287 Ca -0.15 -1.33 0.03 0.00 -0.52 0.00 0.00 52.55 50.59 1iq0 s ASP 287 Cb 0.10 -0.84 0.18 0.00 -1.46 0.00 0.00 42.92 40.90 1iq0 s ASP 287 CO 0.67 -0.35 0.84 -0.81 0.52 0.00 0.00 175.17 176.03 1iq0 n PRO 288 N 4.87 1.82 -3.54 4.34 -0.04 -1.26 -4.83 135.00 136.36 1iq0 n PRO 288 Ca -0.06 -0.71 -0.41 0.00 -0.04 0.00 0.00 63.50 62.29 1iq0 n PRO 288 Cb 0.44 -1.60 -0.11 0.00 -0.04 0.00 0.00 33.50 32.20 1iq0 n PRO 288 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1iq0 s PHE 289 N -1.46 3.24 -0.14 0.54 0.40 -1.26 -0.04 117.98 119.26 1iq0 s PHE 289 Ca 0.12 -0.74 -0.16 0.00 -0.60 0.00 0.00 56.93 55.55 1iq0 s PHE 289 Cb 0.09 -2.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 1iq0 s PHE 289 CO 0.04 -0.59 0.40 -0.06 0.70 0.00 0.00 175.22 175.70 1iq0 s PHE 290 N 1.62 3.49 -0.06 0.36 0.08 -0.54 -4.90 117.98 118.02 1iq0 s PHE 290 Ca 0.04 0.76 -0.25 0.00 0.12 0.00 0.00 56.93 57.59 1iq0 s PHE 290 Cb -0.19 -2.46 -0.03 0.00 -0.57 0.00 0.00 43.02 39.77 1iq0 s PHE 290 CO 0.08 0.19 0.77 0.08 -0.10 0.00 0.00 175.22 176.24 1iq0 s VAL 291 N 0.58 5.00 -0.26 -0.44 1.01 -1.26 -0.57 120.40 124.45 1iq0 s VAL 291 Ca 0.22 1.58 -0.15 0.00 0.00 0.00 0.00 61.98 63.62 1iq0 s VAL 291 Cb -0.14 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.01 1iq0 s VAL 291 CO 0.07 0.21 -0.26 0.18 0.00 0.00 0.00 175.10 175.31 1iq0 n LEU 292 N 3.94 1.94 -4.10 3.92 4.77 0.30 -4.57 117.00 123.19 1iq0 n LEU 292 Ca 0.01 0.36 -0.30 0.00 -0.03 0.00 0.00 56.01 56.05 1iq0 n LEU 292 Cb 0.51 -0.84 -0.17 0.00 -2.33 0.00 0.00 43.42 40.59 1iq0 n LEU 292 CO 0.48 0.47 -0.51 -0.76 -1.33 0.00 0.00 177.39 175.74 1iq0 s LEU 293 N -7.60 1.86 0.79 2.23 1.43 -0.94 -0.91 118.68 115.54 1iq0 s LEU 293 Ca -0.37 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.14 1iq0 s LEU 293 Cb 0.13 -1.20 0.06 0.00 0.03 0.00 0.00 46.19 45.21 1iq0 s LEU 293 CO 0.50 0.05 1.09 -0.13 0.23 0.00 0.00 176.35 178.08 1iq0 s ARG 294 N 0.86 2.15 0.45 1.70 0.52 -0.57 -0.20 118.95 123.86 1iq0 s ARG 294 Ca -0.08 0.87 0.19 0.00 -0.52 0.00 0.00 55.73 56.19 1iq0 s ARG 294 Cb -0.15 -1.91 1.16 0.00 0.52 0.00 0.00 34.95 34.57 1iq0 s ARG 294 CO -0.00 -1.63 1.92 0.66 0.02 0.00 0.00 175.30 176.27 1iq0 h SER 295 N -1.11 0.29 0.29 0.23 4.64 -1.85 0.13 113.55 116.17 1iq0 h SER 295 Ca -0.46 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1iq0 h SER 295 Cb 1.25 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1iq0 h SER 295 CO 0.56 0.14 0.00 -0.46 -0.87 0.00 0.00 176.83 176.20 1iq0 n ASN 296 N -4.45 0.00 0.00 4.97 2.04 -1.26 -4.78 115.26 111.79 1iq0 n ASN 296 Ca 0.15 -0.17 0.00 0.00 -0.44 0.00 0.00 54.58 54.11 1iq0 n ASN 296 Cb 0.61 -0.21 0.00 0.00 -2.53 0.00 0.00 39.78 37.64 1iq0 n ASN 296 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1iq0 n GLY 297 N 0.43 0.40 3.72 4.83 0.00 0.44 -5.06 105.19 109.95 1iq0 n GLY 297 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1iq0 n GLY 297 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iq0 s THR 298 N -2.14 3.94 0.43 2.61 2.01 -1.25 -4.75 115.64 116.49 1iq0 s THR 298 Ca 0.00 1.46 -0.23 0.00 0.31 0.00 0.00 61.69 63.22 1iq0 s THR 298 Cb 0.00 -3.93 -0.08 0.00 0.01 0.00 0.00 72.50 68.50 1iq0 s THR 298 CO 0.00 0.15 1.11 0.00 -0.69 0.00 0.00 174.62 175.19 1iq0 s ALA 299 N 0.74 3.02 0.44 7.40 0.00 -1.26 -1.51 121.76 130.59 1iq0 s ALA 299 Ca 0.57 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1iq0 s ALA 299 Cb -0.30 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 1iq0 s ALA 299 CO 0.31 -0.45 0.66 -0.08 0.00 0.00 0.00 175.76 176.20 1iq0 s THR 300 N -1.61 4.11 0.40 0.00 -1.32 -0.08 -4.92 115.64 112.22 1iq0 s THR 300 Ca 0.61 -0.50 0.14 0.00 -1.21 0.00 0.00 61.69 60.74 1iq0 s THR 300 Cb -0.25 -3.52 0.14 0.00 -1.51 0.00 0.00 72.50 67.36 1iq0 s THR 300 CO 0.31 -0.36 1.91 1.88 -2.21 0.00 0.00 174.62 176.15 1iq0 h TYR 301 N 0.44 0.00 -0.45 9.09 -1.99 -1.90 -2.45 116.97 119.70 1iq0 h TYR 301 Ca -0.46 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.21 1iq0 h TYR 301 Cb 1.25 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.96 1iq0 h TYR 301 CO 0.46 0.28 0.07 1.88 -0.00 0.00 0.00 178.16 180.85 1iq0 h TYR 302 N 0.00 0.80 -0.56 4.88 0.99 -1.92 0.42 116.97 121.58 1iq0 h TYR 302 Ca -0.00 -0.11 -0.04 0.00 2.00 0.00 0.00 58.73 60.57 1iq0 h TYR 302 Cb 0.50 -0.22 -0.02 0.00 1.00 0.00 0.00 36.73 37.99 1iq0 h TYR 302 CO 0.00 0.75 0.18 0.00 -0.00 0.00 0.00 178.16 179.09 1iq0 h ALA 303 N 0.95 0.73 -0.40 3.88 0.00 -1.72 -1.47 119.26 121.22 1iq0 h ALA 303 Ca 0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1iq0 h ALA 303 Cb 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1iq0 h ALA 303 CO 0.01 0.39 -0.10 0.87 0.00 0.00 0.00 179.25 180.42 1iq0 h LYS 304 N 0.78 0.71 -0.61 0.00 1.57 -1.25 -1.29 116.57 116.48 1iq0 h LYS 304 Ca 0.18 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1iq0 h LYS 304 Cb 0.28 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1iq0 h LYS 304 CO -0.01 0.79 0.02 -0.44 -0.57 0.00 0.00 179.45 179.25 1iq0 h ASP 305 N 0.65 1.04 -0.24 0.86 3.32 -0.62 -2.31 116.42 119.12 1iq0 h ASP 305 Ca 0.11 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1iq0 h ASP 305 Cb 0.55 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1iq0 h ASP 305 CO 0.03 1.07 0.10 0.40 -1.72 0.00 0.00 179.24 179.13 1iq0 h ILE 306 N 0.98 1.16 -0.19 0.35 2.04 -0.92 -1.11 117.51 119.80 1iq0 h ILE 306 Ca 0.18 -0.46 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1iq0 h ILE 306 Cb 0.53 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 1iq0 h ILE 306 CO 0.03 0.16 -0.13 0.00 0.00 0.00 0.00 178.15 178.20 1iq0 h ALA 307 N 0.96 0.02 -0.60 1.87 0.00 -1.08 0.03 119.26 120.45 1iq0 h ALA 307 Ca 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1iq0 h ALA 307 Cb 0.15 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1iq0 h ALA 307 CO -0.01 -0.56 0.33 0.35 0.00 0.00 0.00 179.25 179.36 1iq0 h PHE 308 N -0.13 0.83 -0.93 0.00 3.57 -1.35 -2.18 116.94 116.75 1iq0 h PHE 308 Ca 0.11 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1iq0 h PHE 308 Cb 0.30 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 1iq0 h PHE 308 CO -0.28 0.60 0.62 0.37 -2.23 0.00 0.00 178.31 177.39 1iq0 h GLN 309 N 0.82 1.22 -0.94 1.11 5.75 -0.71 -1.30 115.11 121.06 1iq0 h GLN 309 Ca 0.21 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1iq0 h GLN 309 Cb 0.05 -0.27 -0.05 0.00 1.07 0.00 0.00 27.48 28.28 1iq0 h GLN 309 CO -0.03 0.81 0.60 0.74 -2.65 0.00 0.00 178.83 178.29 1iq0 h PHE 310 N 1.26 1.21 -0.34 3.99 0.05 -0.43 -2.38 116.94 120.29 1iq0 h PHE 310 Ca 0.34 0.01 -0.08 0.00 3.82 0.00 0.00 57.97 62.07 1iq0 h PHE 310 Cb -0.13 -0.40 -0.01 0.00 2.00 0.00 0.00 35.95 37.40 1iq0 h PHE 310 CO -0.01 0.78 -0.11 2.35 -0.18 0.00 0.00 178.31 181.15 1iq0 h TRP 311 N 1.29 0.76 -0.94 -0.55 7.01 -0.84 0.21 115.95 122.90 1iq0 h TRP 311 Ca 0.34 -0.17 0.12 0.00 2.11 0.00 0.00 58.89 61.29 1iq0 h TRP 311 Cb -0.11 -0.18 -0.07 0.00 -2.10 0.00 0.00 29.16 26.70 1iq0 h TRP 311 CO -0.00 0.85 0.60 0.87 -2.79 0.00 0.00 178.44 177.97 1iq0 h LYS 312 N 0.45 0.84 -0.60 2.65 1.57 -0.90 -1.16 116.57 119.43 1iq0 h LYS 312 Ca 0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1iq0 h LYS 312 Cb 0.62 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1iq0 h LYS 312 CO 0.04 0.56 0.00 -1.33 -0.57 0.00 0.00 179.45 178.15 1iq0 n MET 313 N -4.57 2.78 -0.98 3.15 2.81 -0.93 -0.87 117.12 118.51 1iq0 n MET 313 Ca 0.17 -2.14 0.00 0.00 -1.81 0.00 0.00 57.70 53.92 1iq0 n MET 313 Cb 0.38 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1iq0 n MET 313 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iq0 n GLY 314 N 1.14 0.56 0.18 3.03 0.00 -0.44 -4.41 105.19 105.25 1iq0 n GLY 314 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 1iq0 n GLY 314 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iq0 h ILE 315 N 0.00 1.37 -3.37 -0.61 2.04 -0.80 -3.45 117.51 112.68 1iq0 h ILE 315 Ca 0.00 -1.95 -0.51 0.00 1.00 0.00 0.00 64.86 63.39 1iq0 h ILE 315 Cb 0.10 1.96 -0.18 0.00 -0.74 0.00 0.00 36.82 37.95 1iq0 h ILE 315 CO 0.00 0.59 -0.78 -0.76 0.00 0.00 0.00 178.15 177.19 1iq0 s LEU 316 N -8.05 2.42 0.30 1.44 1.43 -1.05 -4.95 118.68 110.22 1iq0 s LEU 316 Ca -0.05 -0.84 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 1iq0 s LEU 316 Cb 0.11 -0.81 -0.06 0.00 0.03 0.00 0.00 46.19 45.47 1iq0 s LEU 316 CO 0.82 -0.04 0.06 -1.61 0.23 0.00 0.00 176.35 175.81 1iq0 s GLU 317 N -2.72 1.56 0.00 1.70 2.02 -1.26 -4.33 118.70 115.66 1iq0 s GLU 317 Ca 0.14 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.28 1iq0 s GLU 317 Cb -0.06 -0.70 0.00 0.00 0.10 0.00 0.00 34.13 33.47 1iq0 s GLU 317 CO 0.06 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.55 1iq0 n GLY 318 N -0.60 1.24 3.75 -1.39 0.00 -1.26 -4.82 105.19 102.11 1iq0 n GLY 318 Ca -0.02 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1iq0 n GLY 318 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iq0 s LEU 319 N 0.00 4.53 0.04 0.99 1.02 -1.26 -4.61 118.68 119.40 1iq0 s LEU 319 Ca 0.00 2.20 0.09 0.00 0.02 0.00 0.00 54.13 56.43 1iq0 s LEU 319 Cb 0.00 -3.62 -0.03 0.00 0.02 0.00 0.00 46.19 42.56 1iq0 s LEU 319 CO 0.00 -0.16 -0.24 -0.13 0.02 0.00 0.00 176.35 175.84 1iq0 s ARG 320 N -1.04 1.64 0.19 1.70 0.52 -1.26 -1.66 118.95 119.04 1iq0 s ARG 320 Ca 0.46 -1.05 0.08 0.00 -0.52 0.00 0.00 55.73 54.71 1iq0 s ARG 320 Cb -0.31 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 1iq0 s ARG 320 CO 0.38 0.46 -0.16 -0.06 0.02 0.00 0.00 175.30 175.95 1iq0 s PHE 321 N -0.80 1.76 0.28 -0.53 0.40 0.07 -0.86 117.98 118.30 1iq0 s PHE 321 Ca 0.10 -0.53 -0.16 0.00 -0.60 0.00 0.00 56.93 55.74 1iq0 s PHE 321 Cb -0.10 -0.83 0.01 0.00 0.51 0.00 0.00 43.02 42.61 1iq0 s PHE 321 CO 0.02 0.36 0.62 -0.98 0.70 0.00 0.00 175.22 175.94 1iq0 s ARG 322 N -3.33 1.75 0.36 0.44 1.70 -0.72 -0.63 118.95 118.51 1iq0 s ARG 322 Ca 0.20 -1.19 -0.28 0.00 -0.47 0.00 0.00 55.73 54.00 1iq0 s ARG 322 Cb -0.03 0.55 -0.10 0.00 -0.57 0.00 0.00 34.95 34.80 1iq0 s ARG 322 CO 0.07 -0.77 1.34 -2.14 -1.08 0.00 0.00 175.30 172.71 1iq0 s PRO 323 N -3.73 4.22 -0.30 3.89 0.02 -1.26 -1.03 135.00 136.81 1iq0 s PRO 323 Ca 0.17 2.27 -0.13 0.00 0.02 0.00 0.00 61.00 63.33 1iq0 s PRO 323 Cb -0.03 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.47 1iq0 s PRO 323 CO 0.09 -0.32 0.29 -0.47 -0.33 0.00 0.00 177.00 176.25 1iq0 s TYR 324 N -1.16 3.23 -0.18 6.54 5.04 -0.60 -4.70 117.35 125.51 1iq0 s TYR 324 Ca 0.51 0.12 -0.29 0.00 -2.44 0.00 0.00 57.07 54.97 1iq0 s TYR 324 Cb -0.41 -2.51 -0.03 0.00 0.35 0.00 0.00 41.96 39.36 1iq0 s TYR 324 CO 0.54 -0.27 1.57 -2.00 -1.34 0.00 0.00 175.55 174.05 1iq0 s GLU 325 N 1.90 3.95 -0.05 4.97 2.12 -1.26 -4.81 118.70 125.51 1iq0 s GLU 325 Ca 0.10 1.77 -0.29 0.00 0.36 0.00 0.00 54.97 56.91 1iq0 s GLU 325 Cb -0.16 -3.98 0.10 0.00 0.26 0.00 0.00 34.13 30.35 1iq0 s GLU 325 CO 0.11 -1.11 0.87 0.54 -0.54 0.00 0.00 175.26 175.13 1iq0 s ASN 326 N 3.68 -0.43 0.00 -1.70 2.20 -1.26 -5.06 114.94 112.37 1iq0 s ASN 326 Ca 0.69 0.26 0.20 0.00 -0.94 0.00 0.00 52.86 53.07 1iq0 s ASN 326 Cb -0.26 0.40 0.70 0.00 -2.00 0.00 0.00 41.25 40.09 1iq0 s ASN 326 CO 0.27 -0.55 1.52 -0.81 -2.94 0.00 0.00 177.10 174.59 1iq0 n PRO 327 N 0.27 1.76 -0.09 3.55 -0.04 -1.26 -4.43 135.00 134.76 1iq0 n PRO 327 Ca -0.12 -1.14 -0.13 0.00 -0.04 0.00 0.00 63.50 62.07 1iq0 n PRO 327 Cb 0.60 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.59 1iq0 n PRO 327 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1iq0 n TYR 328 N 0.37 0.00 -3.98 0.54 4.02 -1.26 -4.94 117.16 111.92 1iq0 n TYR 328 Ca 0.16 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.74 1iq0 n TYR 328 Cb 0.33 -0.67 -0.15 0.00 -0.02 0.00 0.00 39.34 38.84 1iq0 n TYR 328 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1iq0 s TYR 329 N -2.35 3.14 0.30 -0.72 1.51 -1.26 -4.99 117.35 112.98 1iq0 s TYR 329 Ca -0.24 -2.45 0.00 0.00 -1.01 0.00 0.00 57.07 53.37 1iq0 s TYR 329 Cb 0.07 -2.28 0.52 0.00 -0.11 0.00 0.00 41.96 40.15 1iq0 s TYR 329 CO 0.39 -0.89 1.92 -1.35 -1.11 0.00 0.00 175.55 174.51 1iq0 h PRO 330 N 7.77 1.01 -0.39 -1.71 0.11 -1.92 -2.86 132.00 134.02 1iq0 h PRO 330 Ca -0.11 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1iq0 h PRO 330 Cb 1.03 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1iq0 h PRO 330 CO 0.48 0.67 0.00 0.41 -0.21 0.00 0.00 178.00 179.35 1iq0 n GLY 331 N -1.40 1.24 3.73 -0.55 0.00 -1.26 -4.92 105.19 102.03 1iq0 n GLY 331 Ca 0.13 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1iq0 n GLY 331 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iq0 s LEU 332 N -1.30 4.40 0.03 0.99 2.96 -1.08 -4.94 118.68 119.74 1iq0 s LEU 332 Ca 0.36 2.42 0.08 0.00 -0.22 0.00 0.00 54.13 56.76 1iq0 s LEU 332 Cb 0.20 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 1iq0 s LEU 332 CO 0.27 -0.58 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.38 1iq0 s ARG 333 N 0.15 2.03 0.13 1.98 0.52 -0.40 -1.56 118.95 121.80 1iq0 s ARG 333 Ca 0.59 -0.99 0.09 0.00 -0.52 0.00 0.00 55.73 54.90 1iq0 s ARG 333 Cb -0.37 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 1iq0 s ARG 333 CO 0.37 0.54 -0.22 -0.08 0.02 0.00 0.00 175.30 175.93 1iq0 s THR 334 N -0.84 1.93 0.63 0.02 -1.32 -0.19 -0.59 115.64 115.27 1iq0 s THR 334 Ca 0.13 -1.74 -0.16 0.00 -1.21 0.00 0.00 61.69 58.72 1iq0 s THR 334 Cb -0.10 -1.78 -0.02 0.00 -1.51 0.00 0.00 72.50 69.09 1iq0 s THR 334 CO 0.03 -0.10 1.11 -0.94 -2.21 0.00 0.00 174.62 172.51 1iq0 s SER 335 N -2.21 5.32 0.19 8.08 1.04 -0.21 -1.76 113.70 124.15 1iq0 s SER 335 Ca 0.12 2.00 -0.24 0.00 0.48 0.00 0.00 55.95 58.31 1iq0 s SER 335 Cb -0.09 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.53 1iq0 s SER 335 CO 0.06 -1.49 0.85 0.00 0.98 0.00 0.00 173.24 173.64 1iq0 s ALA 336 N -2.26 -1.50 0.27 5.32 0.00 -0.04 -4.75 121.76 118.79 1iq0 s ALA 336 Ca 0.67 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 1iq0 s ALA 336 Cb -0.20 0.72 0.36 0.00 0.00 0.00 0.00 23.12 23.99 1iq0 s ALA 336 CO 0.38 -1.00 1.92 -1.35 0.00 0.00 0.00 175.76 175.70 1iq0 h PRO 337 N 2.00 1.21 -6.63 0.00 0.11 -1.96 -3.40 132.00 123.34 1iq0 h PRO 337 Ca -0.23 -0.07 -0.69 0.00 0.11 0.00 0.00 66.00 65.12 1iq0 h PRO 337 Cb 1.24 -0.27 -0.27 0.00 0.11 0.00 0.00 31.00 31.81 1iq0 h PRO 337 CO 0.26 0.80 -0.86 -2.00 -0.21 0.00 0.00 178.00 175.99 1iq0 s GLU 338 N -6.05 2.02 0.00 1.05 2.56 -1.26 -4.95 118.70 112.07 1iq0 s GLU 338 Ca -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 54.97 53.86 1iq0 s GLU 338 Cb 0.19 -2.07 0.00 0.00 2.00 0.00 0.00 34.13 34.25 1iq0 s GLU 338 CO 0.81 0.54 0.00 0.41 -0.56 0.00 0.00 175.26 176.47 1iq0 n GLY 339 N 2.00 -1.29 3.71 -1.50 0.00 -1.26 -4.54 105.19 102.31 1iq0 n GLY 339 Ca -0.16 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 1iq0 n GLY 339 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iq0 s GLU 340 N -1.95 4.43 0.24 1.61 2.12 0.20 -4.54 118.70 120.80 1iq0 s GLU 340 Ca 0.00 0.95 -0.30 0.00 0.36 0.00 0.00 54.97 55.98 1iq0 s GLU 340 Cb 0.00 -3.47 -0.11 0.00 0.26 0.00 0.00 34.13 30.82 1iq0 s GLU 340 CO 0.00 -0.00 1.54 0.00 -0.54 0.00 0.00 175.26 176.26 1iq0 s ALA 341 N 1.01 3.72 -0.18 6.30 0.00 -1.26 -0.75 121.76 130.61 1iq0 s ALA 341 Ca 0.39 1.44 -0.24 0.00 0.00 0.00 0.00 51.96 53.54 1iq0 s ALA 341 Cb -0.18 -3.61 0.06 0.00 0.00 0.00 0.00 23.12 19.39 1iq0 s ALA 341 CO 0.18 -0.84 0.64 -0.47 0.00 0.00 0.00 175.76 175.27 1iq0 s TYR 342 N 0.34 -0.67 -0.02 0.00 5.04 -0.67 -4.92 117.35 116.45 1iq0 s TYR 342 Ca 0.64 1.49 0.02 0.00 -2.44 0.00 0.00 57.07 56.78 1iq0 s TYR 342 Cb -0.45 0.28 0.01 0.00 0.35 0.00 0.00 41.96 42.15 1iq0 s TYR 342 CO 0.41 -0.42 -0.07 0.99 -1.34 0.00 0.00 175.55 175.13 1iq0 s THR 343 N -0.17 0.60 0.21 4.34 2.01 -1.26 -4.59 115.64 116.77 1iq0 s THR 343 Ca -0.04 -0.25 0.34 0.00 0.31 0.00 0.00 61.69 62.05 1iq0 s THR 343 Cb -0.03 -0.55 0.38 0.00 0.01 0.00 0.00 72.50 72.31 1iq0 s THR 343 CO 0.04 0.20 2.03 -0.65 -0.69 0.00 0.00 174.62 175.55 1iq0 h PRO 344 N 6.46 0.00 -6.20 4.92 0.11 -1.78 -3.47 132.00 132.04 1iq0 h PRO 344 Ca -0.33 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.33 1iq0 h PRO 344 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1iq0 h PRO 344 CO 0.49 0.03 -0.80 1.63 -0.21 0.00 0.00 178.00 179.14 1iq0 n LYS 345 N -3.16 -5.10 -1.89 1.05 5.02 -1.16 -4.74 118.16 108.19 1iq0 n LYS 345 Ca -0.00 0.60 -0.41 0.00 -2.02 0.00 0.00 58.31 56.47 1iq0 n LYS 345 Cb 0.28 -5.27 -0.02 0.00 -0.02 0.00 0.00 35.03 30.00 1iq0 n LYS 345 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iq0 s ALA 346 N -3.54 3.71 -0.08 7.82 0.00 -0.05 -4.51 121.76 125.12 1iq0 s ALA 346 Ca 0.28 1.46 0.13 0.00 0.00 0.00 0.00 51.96 53.83 1iq0 s ALA 346 Cb -0.14 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.30 1iq0 s ALA 346 CO 0.82 -0.86 1.20 0.93 0.00 0.00 0.00 175.76 177.85 1iq0 h GLU 347 N 5.16 0.00 -3.14 0.00 4.39 -0.92 -3.41 114.58 116.66 1iq0 h GLU 347 Ca -0.46 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.10 1iq0 h GLU 347 Cb 1.22 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.65 1iq0 h GLU 347 CO 0.80 0.56 -0.36 -1.21 -1.16 0.00 0.00 179.01 177.64 1iq0 s GLU 348 N -2.87 0.50 0.08 2.33 2.02 -1.14 -4.78 118.70 114.84 1iq0 s GLU 348 Ca 0.01 -0.01 0.06 0.00 0.02 0.00 0.00 54.97 55.05 1iq0 s GLU 348 Cb 0.08 0.22 -0.03 0.00 0.10 0.00 0.00 34.13 34.51 1iq0 s GLU 348 CO 0.78 -0.11 -0.17 0.95 0.02 0.00 0.00 175.26 176.73 1iq0 s THR 349 N -0.77 1.37 -0.09 3.63 -4.23 -0.40 -0.76 115.64 114.38 1iq0 s THR 349 Ca -0.09 -1.38 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 1iq0 s THR 349 Cb -0.04 -1.27 0.03 0.00 1.34 0.00 0.00 72.50 72.56 1iq0 s THR 349 CO 0.02 -0.13 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.34 1iq0 s ILE 350 N -1.19 0.45 -0.25 2.99 1.01 0.06 -0.25 121.20 124.01 1iq0 s ILE 350 Ca 0.02 -0.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.60 1iq0 s ILE 350 Cb -0.10 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.71 1iq0 s ILE 350 CO 0.03 0.21 0.06 0.20 0.00 0.00 0.00 174.94 175.44 1iq0 s ASN 351 N 1.94 5.06 -0.36 3.58 0.02 -0.45 -0.32 114.94 124.41 1iq0 s ASN 351 Ca 0.04 -0.28 -0.22 0.00 -1.02 0.00 0.00 52.86 51.38 1iq0 s ASN 351 Cb -0.13 -1.90 0.01 0.00 0.02 0.00 0.00 41.25 39.24 1iq0 s ASN 351 CO -0.06 -0.05 0.73 -0.69 0.02 0.00 0.00 177.10 177.05 1iq0 s VAL 352 N 1.59 4.79 0.02 1.60 1.01 -0.44 -0.41 120.40 128.57 1iq0 s VAL 352 Ca 0.06 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.83 1iq0 s VAL 352 Cb -0.15 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1iq0 s VAL 352 CO 0.03 -0.39 -0.04 0.68 0.00 0.00 0.00 175.10 175.38 1iq0 s VAL 353 N 2.96 0.22 0.28 2.92 -7.23 -0.07 -4.73 120.40 114.75 1iq0 s VAL 353 Ca 0.29 -0.90 -0.30 0.00 -1.81 0.00 0.00 61.98 59.26 1iq0 s VAL 353 Cb -0.14 -0.34 -0.11 0.00 0.56 0.00 0.00 36.38 36.36 1iq0 s VAL 353 CO 0.16 -0.44 1.56 -0.62 -0.31 0.00 0.00 175.10 175.45 1iq0 s ASP 354 N -1.40 6.43 0.38 4.85 3.68 -1.26 -1.73 116.67 127.63 1iq0 s ASP 354 Ca -0.13 2.89 0.09 0.00 2.13 0.00 0.00 52.55 57.53 1iq0 s ASP 354 Cb -0.09 -2.63 0.85 0.00 -1.45 0.00 0.00 42.92 39.59 1iq0 s ASP 354 CO -0.01 -0.87 1.94 -0.37 0.13 0.00 0.00 175.17 176.00 1iq0 h VAL 355 N 3.41 0.94 0.00 1.11 -1.51 -1.71 -3.26 116.25 115.23 1iq0 h VAL 355 Ca -0.47 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 1iq0 h VAL 355 Cb 1.22 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1iq0 h VAL 355 CO 0.79 0.12 0.00 0.54 -1.23 0.00 0.00 177.57 177.78 1iq0 n ARG 356 N -4.49 0.00 -0.89 5.19 3.00 -1.26 -4.14 116.66 114.06 1iq0 n ARG 356 Ca 0.12 0.44 -0.35 0.00 -0.01 0.00 0.00 57.85 58.06 1iq0 n ARG 356 Cb 0.33 -1.12 -0.05 0.00 0.00 0.00 0.00 32.46 31.62 1iq0 n ARG 356 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1iq0 n GLN 357 N -1.83 1.41 -4.06 5.56 1.13 -1.23 -4.82 117.38 113.55 1iq0 n GLN 357 Ca 0.00 -1.56 -0.10 0.00 -1.94 0.00 0.00 57.00 53.40 1iq0 n GLN 357 Cb 0.00 -2.68 -0.11 0.00 0.11 0.00 0.00 30.24 27.56 1iq0 n GLN 357 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1iq0 s SER 358 N 4.75 0.68 0.05 1.08 0.15 -1.24 -4.47 113.70 114.69 1iq0 s SER 358 Ca 0.50 -0.69 0.03 0.00 0.70 0.00 0.00 55.95 56.48 1iq0 s SER 358 Cb 0.12 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 1iq0 s SER 358 CO 0.09 -0.34 0.01 -1.00 1.20 0.00 0.00 173.24 173.19 1iq0 s HIS 359 N -2.23 3.05 0.13 3.44 3.76 -1.26 -5.08 115.29 117.10 1iq0 s HIS 359 Ca -0.05 0.03 -0.31 0.00 -0.15 0.00 0.00 55.06 54.58 1iq0 s HIS 359 Cb -0.04 -1.61 -0.10 0.00 1.11 0.00 0.00 32.58 31.94 1iq0 s HIS 359 CO -0.03 0.47 1.69 -1.25 -0.85 0.00 0.00 174.74 174.78 1iq0 s PRO 360 N -1.97 4.17 0.58 8.40 0.04 -1.26 -4.87 135.00 140.10 1iq0 s PRO 360 Ca 0.23 2.46 0.28 0.00 0.04 0.00 0.00 61.00 64.01 1iq0 s PRO 360 Cb -0.12 -3.39 1.61 0.00 0.04 0.00 0.00 34.50 32.64 1iq0 s PRO 360 CO 0.15 -0.73 2.07 1.96 0.04 0.00 0.00 177.00 180.49 1iq0 h GLN 361 N 7.75 0.00 -0.86 4.56 4.20 -1.98 -0.36 115.11 128.42 1iq0 h GLN 361 Ca -0.44 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.44 1iq0 h GLN 361 Cb 1.21 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.92 1iq0 h GLN 361 CO 0.94 0.00 0.56 0.00 -0.67 0.00 0.00 178.83 179.66 1iq0 h ALA 362 N 1.74 2.02 0.35 3.87 0.00 -1.98 -1.23 119.26 124.03 1iq0 h ALA 362 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1iq0 h ALA 362 Cb 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1iq0 h ALA 362 CO -0.00 -0.27 -0.24 1.25 0.00 0.00 0.00 179.25 179.99 1iq0 h LEU 363 N 0.53 -0.62 -0.97 0.00 5.85 -1.44 0.44 115.31 119.10 1iq0 h LEU 363 Ca 0.44 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 59.11 1iq0 h LEU 363 Cb 0.90 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1iq0 h LEU 363 CO -0.18 -0.35 -0.22 -0.37 -0.34 0.00 0.00 178.44 176.98 1iq0 h VAL 364 N -0.56 1.26 0.23 1.05 -1.51 -1.70 -0.61 116.25 114.41 1iq0 h VAL 364 Ca -0.05 -1.20 0.01 0.00 -1.23 0.00 0.00 66.70 64.23 1iq0 h VAL 364 Cb 0.45 1.29 -0.03 0.00 -2.13 0.00 0.00 31.29 30.88 1iq0 h VAL 364 CO 0.03 0.38 -0.30 0.03 -1.23 0.00 0.00 177.57 176.48 1iq0 h ARG 365 N 0.44 -0.56 -0.73 5.19 -0.00 -1.19 0.41 114.38 117.93 1iq0 h ARG 365 Ca 0.07 0.04 -0.05 0.00 -0.50 0.00 0.00 59.98 59.54 1iq0 h ARG 365 Cb 0.62 0.13 -0.03 0.00 0.00 0.00 0.00 29.97 30.69 1iq0 h ARG 365 CO 0.04 -0.38 0.27 0.00 0.00 0.00 0.00 179.97 179.91 1iq0 h ALA 366 N 0.03 1.11 -0.40 0.04 0.00 -0.74 -1.65 119.26 117.65 1iq0 h ALA 366 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1iq0 h ALA 366 Cb 0.57 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1iq0 h ALA 366 CO -0.11 0.63 0.14 0.00 0.00 0.00 0.00 179.25 179.91 1iq0 h ALA 367 N 1.23 0.52 -0.82 0.00 0.00 -0.62 0.87 119.26 120.43 1iq0 h ALA 367 Ca 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1iq0 h ALA 367 Cb 0.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1iq0 h ALA 367 CO -0.02 0.14 0.36 -0.07 0.00 0.00 0.00 179.25 179.66 1iq0 h LEU 368 N 0.49 1.11 0.01 0.00 3.38 0.07 -1.38 115.31 119.00 1iq0 h LEU 368 Ca 0.13 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1iq0 h LEU 368 Cb 0.22 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1iq0 h LEU 368 CO -0.01 0.97 -0.00 0.00 0.09 0.00 0.00 178.44 179.48 1iq0 h ALA 369 N 1.19 -0.01 -0.06 1.53 0.00 -0.98 0.34 119.26 121.28 1iq0 h ALA 369 Ca 0.28 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1iq0 h ALA 369 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1iq0 h ALA 369 CO -0.03 -0.31 0.04 -0.07 0.00 0.00 0.00 179.25 178.88 1iq0 h LEU 370 N -0.40 0.04 0.00 0.00 3.38 -0.77 0.30 115.31 117.85 1iq0 h LEU 370 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iq0 h LEU 370 Cb 0.40 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1iq0 h LEU 370 CO 0.00 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1iq0 n ALA 371 N -2.54 2.50 -0.71 1.53 0.00 -0.53 -4.84 120.51 115.92 1iq0 n ALA 371 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1iq0 n ALA 371 Cb 0.11 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1iq0 n ALA 371 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iq0 n GLY 372 N 1.05 1.41 2.45 0.00 0.00 0.10 -5.03 105.19 105.17 1iq0 n GLY 372 Ca 0.17 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 1iq0 n GLY 372 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iq0 n TYR 373 N -2.02 1.64 -0.09 1.61 4.02 0.12 -4.94 117.16 117.50 1iq0 n TYR 373 Ca 0.00 -3.87 0.05 0.00 -0.01 0.00 0.00 57.90 54.06 1iq0 n TYR 373 Cb 0.18 -0.45 0.38 0.00 -0.02 0.00 0.00 39.34 39.43 1iq0 n TYR 373 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1iq0 h PRO 374 N 3.19 0.65 -0.08 -0.72 0.13 -1.78 -2.18 132.00 131.21 1iq0 h PRO 374 Ca 0.11 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 1iq0 h PRO 374 Cb 0.78 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1iq0 h PRO 374 CO 0.62 0.43 -0.00 0.00 -0.23 0.00 0.00 178.00 178.83 1iq0 h ALA 375 N 1.67 0.11 0.00 -0.56 0.00 -1.93 -2.94 119.26 115.61 1iq0 h ALA 375 Ca 0.23 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1iq0 h ALA 375 Cb 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1iq0 h ALA 375 CO -0.06 -0.20 -0.15 -0.07 0.00 0.00 0.00 179.25 178.77 1iq0 h LEU 376 N -0.13 0.00 -2.06 0.00 3.38 -1.86 -2.50 115.31 112.13 1iq0 h LEU 376 Ca 0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1iq0 h LEU 376 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1iq0 h LEU 376 CO 0.00 0.15 0.07 0.00 0.09 0.00 0.00 178.44 178.76 1iq0 h ALA 377 N 1.85 2.02 -0.01 1.53 0.00 -1.21 0.88 119.26 124.32 1iq0 h ALA 377 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iq0 h ALA 377 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1iq0 h ALA 377 CO 0.02 -0.12 -0.06 0.39 0.00 0.00 0.00 179.25 179.48 1iq0 n GLU 378 N -4.40 1.30 -0.27 0.00 -0.58 -0.94 -3.87 120.64 111.88 1iq0 n GLU 378 Ca -0.01 -0.65 0.07 0.00 -0.42 0.00 0.00 57.16 56.15 1iq0 n GLU 378 Cb 0.19 -1.49 0.19 0.00 -0.57 0.00 0.00 31.44 29.76 1iq0 n GLU 378 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1iq0 n LYS 379 N -0.28 2.92 -3.37 3.49 4.76 0.30 -4.84 118.16 121.13 1iq0 n LYS 379 Ca 0.18 -2.32 -0.45 0.00 -2.87 0.00 0.00 58.31 52.85 1iq0 n LYS 379 Cb 0.31 -1.46 -0.05 0.00 -1.84 0.00 0.00 35.03 31.99 1iq0 n LYS 379 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iq0 s ALA 380 N -1.57 3.78 0.26 7.82 0.00 -1.21 -1.28 121.76 129.56 1iq0 s ALA 380 Ca 0.30 -2.88 0.02 0.00 0.00 0.00 0.00 51.96 49.40 1iq0 s ALA 380 Cb 0.19 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1iq0 s ALA 380 CO 0.14 -2.11 0.43 -1.01 0.00 0.00 0.00 175.76 173.21 1iq0 s HIS 381 N 0.93 3.48 -0.02 0.00 3.76 0.65 -4.98 115.29 119.11 1iq0 s HIS 381 Ca 0.10 0.22 0.05 0.00 -0.15 0.00 0.00 55.06 55.28 1iq0 s HIS 381 Cb -0.21 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.69 1iq0 s HIS 381 CO -0.02 0.32 -0.17 -1.01 -0.85 0.00 0.00 174.74 173.00 1iq0 s HIS 382 N -2.04 1.62 -0.45 1.40 3.76 -1.26 -1.34 115.29 116.98 1iq0 s HIS 382 Ca 0.37 -0.35 0.04 0.00 -0.15 0.00 0.00 55.06 54.97 1iq0 s HIS 382 Cb -0.10 -1.06 0.12 0.00 1.11 0.00 0.00 32.58 32.65 1iq0 s HIS 382 CO 0.31 -0.07 0.19 -1.17 -0.85 0.00 0.00 174.74 173.15 1iq0 s LEU 383 N -0.28 4.17 0.07 0.89 2.96 0.45 -4.90 118.68 122.04 1iq0 s LEU 383 Ca 0.04 -2.65 -0.18 0.00 -0.22 0.00 0.00 54.13 51.12 1iq0 s LEU 383 Cb -0.08 -1.53 -0.07 0.00 0.50 0.00 0.00 46.19 45.01 1iq0 s LEU 383 CO 0.00 -0.29 0.55 0.00 -1.32 0.00 0.00 176.35 175.29 1iq0 s ALA 384 N 0.23 3.60 0.10 5.97 0.00 -1.25 -0.89 121.76 129.53 1iq0 s ALA 384 Ca 0.15 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.15 1iq0 s ALA 384 Cb -0.23 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1iq0 s ALA 384 CO -0.04 0.42 -0.14 1.52 0.00 0.00 0.00 175.76 177.52 1iq0 s TYR 385 N -1.14 1.32 0.83 0.00 -0.85 -0.70 -4.37 117.35 112.43 1iq0 s TYR 385 Ca 0.29 -0.54 -0.11 0.00 -0.52 0.00 0.00 57.07 56.20 1iq0 s TYR 385 Cb -0.19 -0.71 0.13 0.00 0.38 0.00 0.00 41.96 41.57 1iq0 s TYR 385 CO 0.18 0.10 1.16 -1.21 -1.52 0.00 0.00 175.55 174.27 1iq0 s GLU 386 N -2.41 1.49 0.72 -3.49 0.41 0.10 -1.88 118.70 113.63 1iq0 s GLU 386 Ca 0.05 -0.35 -0.14 0.00 -0.41 0.00 0.00 54.97 54.12 1iq0 s GLU 386 Cb -0.06 -2.02 0.03 0.00 -1.78 0.00 0.00 34.13 30.30 1iq0 s GLU 386 CO 0.02 -1.79 1.15 0.99 -0.49 0.00 0.00 175.26 175.15 1iq0 s THR 387 N -3.55 2.75 -0.14 3.63 2.01 -1.26 -4.81 115.64 114.27 1iq0 s THR 387 Ca 0.67 0.34 0.02 0.00 0.31 0.00 0.00 61.69 63.03 1iq0 s THR 387 Cb -0.07 -2.85 0.01 0.00 0.01 0.00 0.00 72.50 69.60 1iq0 s THR 387 CO 0.49 -0.22 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.30 1iq0 s VAL 388 N -2.24 1.94 0.19 3.82 1.01 -1.26 -1.83 120.40 122.02 1iq0 s VAL 388 Ca 0.70 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 1iq0 s VAL 388 Cb -0.24 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1iq0 s VAL 388 CO 0.45 0.52 0.37 -0.76 0.00 0.00 0.00 175.10 175.68 1iq0 s LEU 389 N 0.99 4.25 -0.28 3.92 1.43 0.15 -4.59 118.68 124.56 1iq0 s LEU 389 Ca -0.04 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1iq0 s LEU 389 Cb -0.15 -3.12 0.05 0.00 0.03 0.00 0.00 46.19 43.00 1iq0 s LEU 389 CO -0.05 -0.02 -0.06 -0.22 0.23 0.00 0.00 176.35 176.24 1iq0 s LEU 390 N -3.26 3.66 -1.33 1.79 2.96 -0.16 -0.10 118.68 122.24 1iq0 s LEU 390 Ca 0.38 -1.33 -0.06 0.00 -0.22 0.00 0.00 54.13 52.90 1iq0 s LEU 390 Cb -0.11 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.96 1iq0 s LEU 390 CO 0.29 -0.22 1.05 -0.62 -1.32 0.00 0.00 176.35 175.53 1iq0 n GLU 391 N 4.53 -6.92 -1.03 1.98 -0.58 -0.35 -1.50 120.64 116.77 1iq0 n GLU 391 Ca -0.14 0.78 -0.01 0.00 -0.42 0.00 0.00 57.16 57.38 1iq0 n GLU 391 Cb 0.43 -5.76 -0.00 0.00 -0.57 0.00 0.00 31.44 25.54 1iq0 n GLU 391 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iq0 n GLY 392 N -1.65 0.34 3.53 0.62 0.00 -1.26 -5.00 105.19 101.77 1iq0 n GLY 392 Ca -0.11 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1iq0 n GLY 392 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iq0 s ARG 393 N -1.17 3.19 0.11 1.61 6.06 -0.56 -5.06 118.95 123.14 1iq0 s ARG 393 Ca 0.00 -0.55 -0.30 0.00 -2.50 0.00 0.00 55.73 52.38 1iq0 s ARG 393 Cb 0.00 -2.73 -0.06 0.00 0.06 0.00 0.00 34.95 32.22 1iq0 s ARG 393 CO 0.00 0.45 1.00 -1.14 -2.50 0.00 0.00 175.30 173.11 1iq0 s GLN 394 N -0.22 4.66 -1.16 5.12 2.00 -1.26 -0.98 119.66 127.81 1iq0 s GLN 394 Ca 0.03 1.51 -0.03 0.00 -2.00 0.00 0.00 55.36 54.87 1iq0 s GLN 394 Cb -0.13 -3.36 0.23 0.00 0.80 0.00 0.00 33.01 30.55 1iq0 s GLN 394 CO 0.03 0.15 2.03 -1.33 -0.50 0.00 0.00 175.29 175.66 1iq0 n MET 395 N 2.85 4.98 -2.23 1.67 2.81 -1.26 -4.40 117.12 121.53 1iq0 n MET 395 Ca 0.03 -4.14 0.01 0.00 -1.81 0.00 0.00 57.70 51.79 1iq0 n MET 395 Cb 0.49 -2.56 0.04 0.00 -0.71 0.00 0.00 33.22 30.48 1iq0 n MET 395 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1iq0 n SER 396 N 0.90 1.14 -0.16 7.83 2.88 -1.26 -4.89 113.62 120.06 1iq0 n SER 396 Ca 0.51 -2.02 -0.00 0.00 -1.33 0.00 0.00 58.87 56.03 1iq0 n SER 396 Cb 0.26 -0.34 -0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1iq0 n SER 396 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iq0 n GLY 397 N -0.17 -0.09 3.63 0.46 0.00 -1.26 -5.26 105.19 102.50 1iq0 n GLY 397 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1iq0 n GLY 397 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq0 s ALA 402 N 0.00 -1.81 -0.07 4.61 0.00 -1.26 -5.11 121.76 118.12 1iq0 s ALA 402 Ca 0.00 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.64 1iq0 s ALA 402 Cb 0.00 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.59 1iq0 s ALA 402 CO 0.00 -0.87 -0.16 0.08 0.00 0.00 0.00 175.76 174.81 1iq0 s VAL 403 N -3.07 1.43 0.66 0.00 1.01 -1.26 -5.13 120.40 114.04 1iq0 s VAL 403 Ca 0.09 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1iq0 s VAL 403 Cb -0.01 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 1iq0 s VAL 403 CO -0.03 0.42 1.07 -0.94 0.00 0.00 0.00 175.10 175.61 1iq0 s SER 404 N 0.47 5.41 0.28 3.32 1.04 -1.26 -3.37 113.70 119.58 1iq0 s SER 404 Ca -0.14 1.76 -0.01 0.00 0.48 0.00 0.00 55.95 58.05 1iq0 s SER 404 Cb -0.16 -2.52 0.41 0.00 0.10 0.00 0.00 66.02 63.85 1iq0 s SER 404 CO 0.05 -1.42 1.82 0.58 0.98 0.00 0.00 173.24 175.24 1iq0 h VAL 405 N -0.22 1.23 -0.32 5.02 2.07 -1.38 -2.06 116.25 120.58 1iq0 h VAL 405 Ca -0.45 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1iq0 h VAL 405 Cb 1.22 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1iq0 h VAL 405 CO 0.56 0.31 0.17 0.44 0.02 0.00 0.00 177.57 179.07 1iq0 h ASP 406 N 0.75 0.38 -0.07 0.57 3.32 -1.93 0.31 116.42 119.76 1iq0 h ASP 406 Ca 0.16 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.98 1iq0 h ASP 406 Cb 0.33 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.80 1iq0 h ASP 406 CO 0.00 0.32 -0.79 -0.33 -1.72 0.00 0.00 179.24 176.72 1iq0 h GLU 407 N 0.44 0.66 -0.85 3.56 5.08 -1.77 -1.70 114.58 120.00 1iq0 h GLU 407 Ca 0.12 -0.62 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 1iq0 h GLU 407 Cb 0.02 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1iq0 h GLU 407 CO -0.02 1.22 0.46 0.28 -1.00 0.00 0.00 179.01 179.95 1iq0 h VAL 408 N 0.32 1.25 -0.11 3.13 2.07 -0.85 0.11 116.25 122.18 1iq0 h VAL 408 Ca -0.08 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1iq0 h VAL 408 Cb 1.45 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1iq0 h VAL 408 CO 0.16 0.28 0.05 -0.07 0.02 0.00 0.00 177.57 178.01 1iq0 h LEU 409 N 1.19 0.14 -0.50 2.57 3.38 -0.89 -0.74 115.31 120.46 1iq0 h LEU 409 Ca 0.30 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1iq0 h LEU 409 Cb 0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1iq0 h LEU 409 CO -0.05 0.23 0.16 1.05 0.09 0.00 0.00 178.44 179.93 1iq0 h GLU 410 N 0.04 0.78 -0.41 1.13 4.11 -0.90 -0.02 114.58 119.32 1iq0 h GLU 410 Ca 0.04 -0.17 -0.10 0.00 0.07 0.00 0.00 59.36 59.20 1iq0 h GLU 410 Cb 0.13 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1iq0 h GLU 410 CO -0.00 0.73 -0.14 1.49 0.07 0.00 0.00 179.01 181.16 1iq0 h GLU 411 N 0.68 0.75 -0.18 1.06 4.57 -0.93 0.69 114.58 121.21 1iq0 h GLU 411 Ca 0.16 -0.26 -0.16 0.00 -1.18 0.00 0.00 59.36 57.93 1iq0 h GLU 411 Cb 0.27 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1iq0 h GLU 411 CO -0.01 0.85 -0.54 0.00 -1.18 0.00 0.00 179.01 178.13 1iq0 h ALA 412 N 1.17 0.71 -0.06 2.92 0.00 -0.94 -2.27 119.26 120.79 1iq0 h ALA 412 Ca 0.11 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1iq0 h ALA 412 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1iq0 h ALA 412 CO 0.04 0.69 -0.50 1.15 0.00 0.00 0.00 179.25 180.63 1iq0 h THR 413 N 0.42 1.35 0.34 0.00 2.02 -0.70 -0.95 112.91 115.39 1iq0 h THR 413 Ca 0.01 -1.73 -0.02 0.00 0.77 0.00 0.00 66.41 65.44 1iq0 h THR 413 Cb 1.08 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1iq0 h THR 413 CO 0.10 0.51 -0.16 -0.09 0.37 0.00 0.00 175.52 176.24 1iq0 h ARG 414 N 0.12 -0.44 -0.56 6.66 9.65 -0.62 -1.24 114.38 127.94 1iq0 h ARG 414 Ca 0.00 0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.85 1iq0 h ARG 414 Cb 0.93 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.58 1iq0 h ARG 414 CO 0.07 -0.20 0.09 0.00 2.80 0.00 0.00 179.97 182.74 1iq0 h ARG 415 N -0.62 0.89 -0.82 0.20 3.08 -1.34 -2.57 114.38 113.20 1iq0 h ARG 415 Ca -0.05 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.75 1iq0 h ARG 415 Cb 0.45 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1iq0 h ARG 415 CO 0.08 0.83 0.35 0.00 -1.07 0.00 0.00 179.97 180.16 1iq0 h ALA 416 N 1.25 1.07 -0.57 0.04 0.00 -1.10 -2.26 119.26 117.68 1iq0 h ALA 416 Ca 0.18 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1iq0 h ALA 416 Cb 0.37 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1iq0 h ALA 416 CO 0.01 0.67 0.30 -0.09 0.00 0.00 0.00 179.25 180.14 1iq0 h ARG 417 N 1.19 0.56 -0.50 0.00 9.65 -0.83 -0.97 114.38 123.47 1iq0 h ARG 417 Ca 0.28 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 59.06 1iq0 h ARG 417 Cb 0.18 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1iq0 h ARG 417 CO -0.03 0.37 0.05 0.00 2.80 0.00 0.00 179.97 183.16 1iq0 h ALA 418 N 1.30 1.15 -0.48 2.80 0.00 -1.21 -2.18 119.26 120.64 1iq0 h ALA 418 Ca 0.25 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1iq0 h ALA 418 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1iq0 h ALA 418 CO -0.17 0.56 -0.06 0.82 0.00 0.00 0.00 179.25 180.41 1iq0 h ILE 419 N 0.76 1.25 0.00 0.00 2.04 -0.76 -2.75 117.51 118.06 1iq0 h ILE 419 Ca 0.16 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 64.84 1iq0 h ILE 419 Cb 0.39 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1iq0 h ILE 419 CO 0.01 0.39 -0.34 0.58 0.00 0.00 0.00 178.15 178.79 1iq0 h VAL 420 N 0.76 0.74 0.00 1.67 2.07 -0.89 -2.43 116.25 118.17 1iq0 h VAL 420 Ca 0.14 -1.51 -0.11 0.00 0.82 0.00 0.00 66.70 66.03 1iq0 h VAL 420 Cb 0.54 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1iq0 h VAL 420 CO 0.03 0.33 -0.54 -0.33 0.02 0.00 0.00 177.57 177.09 1iq0 h GLU 421 N 0.00 0.00 0.02 1.57 4.39 -1.10 -2.87 114.58 116.60 1iq0 h GLU 421 Ca -0.00 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.33 1iq0 h GLU 421 Cb 0.95 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.55 1iq0 h GLU 421 CO 0.04 0.54 -2.05 -0.85 -1.16 0.00 0.00 179.01 175.54 1iq0 n GLU 422 N -3.86 0.63 0.27 2.33 0.28 -1.18 -3.11 120.64 115.99 1iq0 n GLU 422 Ca -0.01 0.34 0.17 0.00 -0.16 0.00 0.00 57.16 57.49 1iq0 n GLU 422 Cb 0.55 -1.62 0.71 0.00 1.43 0.00 0.00 31.44 32.52 1iq0 n GLU 422 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1iq0 h LYS 423 N -0.60 0.00 0.00 3.44 1.57 -1.57 -3.37 116.57 116.04 1iq0 h LYS 423 Ca -0.52 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.04 1iq0 h LYS 423 Cb 1.66 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.83 1iq0 h LYS 423 CO -0.20 0.00 -0.46 -1.71 -0.57 0.00 0.00 179.45 176.51 1iq0 n ASN 424 N -3.02 -2.79 0.00 0.86 4.05 -1.08 -5.00 115.26 108.28 1iq0 n ASN 424 Ca 0.00 -3.26 0.01 0.00 0.45 0.00 0.00 54.58 51.78 1iq0 n ASN 424 Cb 0.28 1.79 0.04 0.00 1.23 0.00 0.00 39.78 43.13 1iq0 n ASN 424 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1iq0 n PRO 425 N 1.55 0.00 -0.38 1.20 -0.04 -1.18 -1.71 135.00 134.44 1iq0 n PRO 425 Ca 0.08 0.48 0.08 0.00 -0.04 0.00 0.00 63.50 64.10 1iq0 n PRO 425 Cb 0.64 -1.51 0.24 0.00 -0.04 0.00 0.00 33.50 32.83 1iq0 n PRO 425 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1iq0 n ASP 426 N -1.52 3.71 -4.72 3.54 5.75 -1.26 -5.00 116.55 117.04 1iq0 n ASP 426 Ca 0.00 -2.58 -0.42 0.00 -0.01 0.00 0.00 54.79 51.79 1iq0 n ASP 426 Cb 0.02 -0.44 -0.03 0.00 -1.03 0.00 0.00 41.12 39.64 1iq0 n ASP 426 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1iq0 s HIS 427 N -2.04 3.08 0.00 2.11 2.46 -0.69 -4.96 115.29 115.24 1iq0 s HIS 427 Ca 0.37 0.79 0.00 0.00 0.47 0.00 0.00 55.06 56.68 1iq0 s HIS 427 Cb 0.26 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.85 1iq0 s HIS 427 CO 0.14 -3.05 0.70 -0.35 -2.47 0.00 0.00 174.74 169.70 1iq0 n PRO 428 N 3.53 0.00 -3.32 2.88 -0.04 -1.26 -4.17 135.00 132.61 1iq0 n PRO 428 Ca 0.12 0.41 -0.46 0.00 -0.04 0.00 0.00 63.50 63.53 1iq0 n PRO 428 Cb 0.40 -1.20 -0.05 0.00 -0.04 0.00 0.00 33.50 32.61 1iq0 n PRO 428 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1iq0 s ASP 429 N -2.44 6.27 0.20 3.54 3.68 -1.26 -4.92 116.67 121.74 1iq0 s ASP 429 Ca 0.00 -1.93 -0.00 0.00 2.13 0.00 0.00 52.55 52.75 1iq0 s ASP 429 Cb 0.00 -2.21 0.12 0.00 -1.45 0.00 0.00 42.92 39.38 1iq0 s ASP 429 CO 0.00 -0.81 1.48 0.11 0.13 0.00 0.00 175.17 176.08 1iq0 h LYS 430 N 8.71 0.39 -0.22 4.34 1.57 -1.98 -2.97 116.57 126.41 1iq0 h LYS 430 Ca -0.24 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.23 1iq0 h LYS 430 Cb 1.09 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1iq0 h LYS 430 CO 0.99 0.91 0.05 1.49 -0.57 0.00 0.00 179.45 182.33 1iq0 h GLU 431 N 0.28 0.36 -0.76 3.15 4.57 -1.96 0.38 114.58 120.60 1iq0 h GLU 431 Ca -0.02 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1iq0 h GLU 431 Cb 1.21 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.71 1iq0 h GLU 431 CO 0.11 0.48 0.41 1.49 -1.18 0.00 0.00 179.01 180.32 1iq0 h GLU 432 N 0.17 1.06 -0.53 1.92 4.57 -1.99 -0.25 114.58 119.54 1iq0 h GLU 432 Ca 0.07 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1iq0 h GLU 432 Cb 0.28 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1iq0 h GLU 432 CO 0.00 0.78 0.16 0.00 -1.18 0.00 0.00 179.01 178.78 1iq0 h ALA 433 N 1.38 0.69 -0.65 2.92 0.00 -1.31 -2.06 119.26 120.23 1iq0 h ALA 433 Ca 0.27 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1iq0 h ALA 433 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1iq0 h ALA 433 CO -0.04 0.35 0.07 0.00 0.00 0.00 0.00 179.25 179.63 1iq0 h ALA 434 N 1.02 0.86 -0.44 0.00 0.00 -0.35 -2.29 119.26 118.07 1iq0 h ALA 434 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1iq0 h ALA 434 Cb 0.28 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1iq0 h ALA 434 CO -0.00 0.66 0.28 -0.09 0.00 0.00 0.00 179.25 180.10 1iq0 h ARG 435 N 1.01 0.58 -0.62 0.00 2.43 -0.84 -0.90 114.38 116.05 1iq0 h ARG 435 Ca 0.19 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1iq0 h ARG 435 Cb 0.49 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1iq0 h ARG 435 CO 0.02 0.40 0.29 0.52 -1.51 0.00 0.00 179.97 179.69 1iq0 h MET 436 N 0.59 0.90 -0.38 0.20 2.86 -1.24 -0.39 114.93 117.47 1iq0 h MET 436 Ca 0.16 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1iq0 h MET 436 Cb -0.05 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 1iq0 h MET 436 CO -0.03 0.73 -0.03 0.28 1.06 0.00 0.00 176.91 178.92 1iq0 h VAL 437 N 0.85 1.27 -0.44 -2.22 2.07 -1.17 0.15 116.25 116.76 1iq0 h VAL 437 Ca 0.21 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1iq0 h VAL 437 Cb 0.14 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1iq0 h VAL 437 CO -0.02 0.35 0.13 0.00 0.02 0.00 0.00 177.57 178.04 1iq0 h ALA 438 N 0.86 0.58 -0.73 1.67 0.00 -1.02 -0.41 119.26 120.21 1iq0 h ALA 438 Ca 0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1iq0 h ALA 438 Cb 0.51 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1iq0 h ALA 438 CO 0.03 0.25 0.28 1.25 0.00 0.00 0.00 179.25 181.05 1iq0 h LEU 439 N 0.58 1.03 -0.68 0.00 5.85 -0.99 -1.74 115.31 119.36 1iq0 h LEU 439 Ca 0.14 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 1iq0 h LEU 439 Cb 0.29 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1iq0 h LEU 439 CO -0.00 0.93 -0.07 1.23 -0.34 0.00 0.00 178.44 180.19 1iq0 h GLY 440 N 1.06 1.02 0.90 3.75 0.00 -0.72 0.78 103.07 109.86 1iq0 h GLY 440 Ca 0.24 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1iq0 h GLY 440 CO -0.02 0.72 0.09 0.00 0.00 0.00 0.00 176.54 177.33 1iq0 h ALA 441 N 1.05 0.36 0.27 3.60 0.00 -0.81 -1.53 119.26 122.21 1iq0 h ALA 441 Ca 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1iq0 h ALA 441 Cb 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1iq0 h ALA 441 CO 0.04 -0.02 -0.13 0.82 0.00 0.00 0.00 179.25 179.96 1iq0 h ILE 442 N 0.28 0.74 -0.80 0.00 2.04 -1.18 -1.74 117.51 116.85 1iq0 h ILE 442 Ca 0.09 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.29 1iq0 h ILE 442 Cb 0.22 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1iq0 h ILE 442 CO -0.00 0.13 0.53 0.03 0.00 0.00 0.00 178.15 178.84 1iq0 h ARG 443 N -0.74 1.05 -0.18 2.37 2.47 -0.90 -1.57 114.38 116.87 1iq0 h ARG 443 Ca -0.04 -0.06 -0.14 0.00 -1.26 0.00 0.00 59.98 58.48 1iq0 h ARG 443 Cb 0.50 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1iq0 h ARG 443 CO 0.06 0.70 -0.45 0.35 0.56 0.00 0.00 179.97 181.19 1iq0 h PHE 444 N 1.08 0.81 -0.42 3.04 3.57 -1.32 -3.11 116.94 120.58 1iq0 h PHE 444 Ca 0.30 -0.31 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1iq0 h PHE 444 Cb -0.12 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 1iq0 h PHE 444 CO -0.00 1.08 0.26 1.03 -2.23 0.00 0.00 178.31 178.45 1iq0 h SER 445 N 0.31 0.44 0.28 0.41 0.87 -1.04 -0.95 113.55 113.86 1iq0 h SER 445 Ca -0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1iq0 h SER 445 Cb 1.06 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1iq0 h SER 445 CO 0.10 0.31 0.00 0.24 -0.53 0.00 0.00 176.83 176.95 1iq0 h MET 446 N 0.53 0.00 0.00 2.24 2.86 -1.31 -3.27 114.93 115.98 1iq0 h MET 446 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1iq0 h MET 446 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1iq0 h MET 446 CO -0.06 0.00 0.00 1.55 1.06 0.00 0.00 176.91 179.46 1iq0 n VAL 447 N -2.88 0.00 0.21 -2.22 3.14 -0.98 -4.70 118.33 110.90 1iq0 n VAL 447 Ca -0.02 -0.47 0.10 0.00 -2.96 0.00 0.00 64.34 61.00 1iq0 n VAL 447 Cb 0.13 1.01 0.39 0.00 -1.06 0.00 0.00 33.84 34.31 1iq0 n VAL 447 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1iq0 h LYS 448 N 0.00 0.00 -5.47 1.45 2.10 -1.23 -3.13 116.57 110.29 1iq0 h LYS 448 Ca 0.00 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.05 1iq0 h LYS 448 Cb 0.01 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.23 1iq0 h LYS 448 CO 0.00 0.23 -0.36 0.99 -2.00 0.00 0.00 179.45 178.30 1iq0 s THR 449 N -3.52 5.33 0.13 0.07 2.01 -1.26 -4.78 115.64 113.62 1iq0 s THR 449 Ca 0.02 0.47 -0.34 0.00 0.31 0.00 0.00 61.69 62.15 1iq0 s THR 449 Cb 0.09 -3.59 -0.17 0.00 0.01 0.00 0.00 72.50 68.84 1iq0 s THR 449 CO 0.65 0.41 0.99 -0.62 -0.69 0.00 0.00 174.62 175.37 1iq0 n GLU 450 N 3.44 0.57 -0.31 4.92 1.02 -1.26 -4.81 120.64 124.21 1iq0 n GLU 450 Ca -0.13 0.20 0.19 0.00 -0.02 0.00 0.00 57.16 57.40 1iq0 n GLU 450 Cb 0.52 -1.59 0.45 0.00 -0.02 0.00 0.00 31.44 30.80 1iq0 n GLU 450 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1iq0 h PRO 451 N 2.74 0.50 0.00 3.49 0.11 -1.94 0.05 132.00 136.96 1iq0 h PRO 451 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1iq0 h PRO 451 Cb 1.39 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1iq0 h PRO 451 CO 0.66 0.33 0.00 0.87 -0.21 0.00 0.00 178.00 179.65 1iq0 h LYS 452 N 0.51 0.00 -5.95 1.05 1.57 -1.88 0.29 116.57 112.17 1iq0 h LYS 452 Ca 0.56 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.72 1iq0 h LYS 452 Cb 1.23 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 1iq0 h LYS 452 CO -0.29 0.00 -0.38 0.15 -0.57 0.00 0.00 179.45 178.36 1iq0 s LYS 453 N -3.50 3.58 0.46 3.15 1.02 0.00 -4.70 119.74 119.76 1iq0 s LYS 453 Ca 0.02 -0.10 -0.21 0.00 0.02 0.00 0.00 55.97 55.70 1iq0 s LYS 453 Cb 0.09 -3.04 -0.09 0.00 -0.52 0.00 0.00 37.83 34.27 1iq0 s LYS 453 CO 0.43 0.62 1.03 -1.14 -0.92 0.00 0.00 175.35 175.37 1iq0 s GLN 454 N -1.94 3.94 0.01 1.68 0.74 -1.26 -4.37 119.66 118.45 1iq0 s GLN 454 Ca 0.30 1.38 0.07 0.00 0.05 0.00 0.00 55.36 57.16 1iq0 s GLN 454 Cb -0.13 -2.23 -0.03 0.00 1.10 0.00 0.00 33.01 31.73 1iq0 s GLN 454 CO 0.18 -0.31 -0.22 0.42 -0.55 0.00 0.00 175.29 174.81 1iq0 s ILE 455 N -1.91 2.47 -0.32 -2.34 1.01 -0.76 -5.03 121.20 114.32 1iq0 s ILE 455 Ca 0.64 -1.14 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1iq0 s ILE 455 Cb -0.17 -1.96 0.09 0.00 0.01 0.00 0.00 42.46 40.43 1iq0 s ILE 455 CO 0.21 0.45 0.02 -0.62 0.00 0.00 0.00 174.94 175.00 1iq0 s ASP 456 N -1.05 4.63 -0.41 3.58 -1.08 -1.26 0.34 116.67 121.42 1iq0 s ASP 456 Ca 0.12 -1.94 -0.27 0.00 -0.52 0.00 0.00 52.55 49.93 1iq0 s ASP 456 Cb -0.10 -1.56 0.02 0.00 -1.46 0.00 0.00 42.92 39.82 1iq0 s ASP 456 CO 0.02 -0.34 1.02 0.12 0.52 0.00 0.00 175.17 176.51 1iq0 s PHE 457 N 1.00 2.98 -0.18 -5.34 5.36 0.85 -4.86 117.98 117.80 1iq0 s PHE 457 Ca 0.06 0.77 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 1iq0 s PHE 457 Cb -0.19 -3.96 0.01 0.00 -0.34 0.00 0.00 43.02 38.54 1iq0 s PHE 457 CO -0.08 -1.00 -0.17 1.03 -1.46 0.00 0.00 175.22 173.54 1iq0 s ARG 458 N 3.86 3.08 0.08 10.12 0.52 -1.26 -1.21 118.95 134.14 1iq0 s ARG 458 Ca 0.42 -0.79 -0.17 0.00 -0.52 0.00 0.00 55.73 54.68 1iq0 s ARG 458 Cb -0.10 -2.63 -0.05 0.00 0.52 0.00 0.00 34.95 32.69 1iq0 s ARG 458 CO 0.23 -0.16 1.28 1.88 0.02 0.00 0.00 175.30 178.56 1iq0 h TYR 459 N 7.81 -0.95 -0.41 -0.53 -1.99 -1.98 -0.46 116.97 118.46 1iq0 h TYR 459 Ca -0.42 0.06 0.06 0.00 2.00 0.00 0.00 58.73 60.43 1iq0 h TYR 459 Cb 1.16 0.46 -0.05 0.00 2.00 0.00 0.00 36.73 40.29 1iq0 h TYR 459 CO 0.49 -0.22 0.09 0.37 -0.00 0.00 0.00 178.16 178.89 1iq0 h GLN 460 N -0.10 0.21 -0.40 4.88 4.15 -1.98 0.58 115.11 122.46 1iq0 h GLN 460 Ca 0.06 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.49 1iq0 h GLN 460 Cb 0.26 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1iq0 h GLN 460 CO -0.41 0.14 0.24 1.49 -1.93 0.00 0.00 178.83 178.36 1iq0 h GLU 461 N 0.22 0.47 -0.04 1.69 4.81 -1.93 -1.58 114.58 118.22 1iq0 h GLU 461 Ca 0.20 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.28 1iq0 h GLU 461 Cb 0.24 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1iq0 h GLU 461 CO -0.26 0.31 -0.52 0.00 -0.73 0.00 0.00 179.01 177.81 1iq0 h ALA 462 N 1.17 1.06 0.00 2.92 0.00 -0.61 -3.19 119.26 120.62 1iq0 h ALA 462 Ca 0.16 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1iq0 h ALA 462 Cb -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1iq0 h ALA 462 CO -0.07 0.66 -0.43 -0.07 0.00 0.00 0.00 179.25 179.34 1iq0 h LEU 463 N 0.08 0.00 -9.36 0.00 3.38 -0.67 -3.40 115.31 105.33 1iq0 h LEU 463 Ca -0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1iq0 h LEU 463 Cb 0.95 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.75 1iq0 h LEU 463 CO 0.07 0.21 0.79 -0.24 0.09 0.00 0.00 178.44 179.36 1iq0 n SER 464 N -3.06 2.76 0.00 -0.43 2.88 -0.62 -4.73 113.62 110.42 1iq0 n SER 464 Ca 0.02 1.07 0.10 0.00 -1.33 0.00 0.00 58.87 58.72 1iq0 n SER 464 Cb 0.62 -1.33 0.49 0.00 -0.75 0.00 0.00 64.21 63.25 1iq0 n SER 464 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1iq0 n PHE 465 N 4.11 0.00 -0.00 0.66 3.01 -1.26 -3.26 117.46 120.71 1iq0 n PHE 465 Ca 0.19 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.75 1iq0 n PHE 465 Cb 0.25 -0.34 -0.14 0.00 -0.01 0.00 0.00 39.48 39.23 1iq0 n PHE 465 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1iq0 n GLU 466 N -1.34 0.56 -0.75 -1.08 4.71 -1.26 -4.32 120.64 117.15 1iq0 n GLU 466 Ca 0.08 -0.17 -0.02 0.00 -0.01 0.00 0.00 57.16 57.04 1iq0 n GLU 466 Cb 0.18 -1.44 0.01 0.00 -1.01 0.00 0.00 31.44 29.18 1iq0 n GLU 466 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iq0 n GLY 467 N 1.45 0.57 3.44 0.62 0.00 -1.20 -4.96 105.19 105.11 1iq0 n GLY 467 Ca -0.03 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 1iq0 n GLY 467 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iq0 n ASP 468 N -3.00 4.95 -4.15 1.61 8.00 -1.26 -4.60 116.55 118.09 1iq0 n ASP 468 Ca 0.02 -2.94 -0.19 0.00 0.71 0.00 0.00 54.79 52.39 1iq0 n ASP 468 Cb 0.06 -1.67 -0.10 0.00 -0.02 0.00 0.00 41.12 39.39 1iq0 n ASP 468 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1iq0 s THR 469 N 3.13 0.51 0.09 -3.53 -4.23 -1.26 -5.00 115.64 105.35 1iq0 s THR 469 Ca 0.49 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.82 1iq0 s THR 469 Cb 0.03 -2.56 -0.07 0.00 1.34 0.00 0.00 72.50 71.24 1iq0 s THR 469 CO 0.04 0.00 1.55 1.23 -0.54 0.00 0.00 174.62 176.90 1iq0 h GLY 470 N 2.22 0.49 1.30 3.99 0.00 -1.77 -2.84 103.07 106.45 1iq0 h GLY 470 Ca -0.36 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 46.68 1iq0 h GLY 470 CO 0.57 0.32 0.34 -2.55 0.00 0.00 0.00 176.54 175.22 1iq0 h PRO 471 N 0.26 0.46 0.09 4.80 0.11 -1.81 0.41 132.00 136.32 1iq0 h PRO 471 Ca 0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1iq0 h PRO 471 Cb 0.37 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1iq0 h PRO 471 CO 0.01 0.30 -0.10 -0.92 -0.21 0.00 0.00 178.00 177.09 1iq0 h TYR 472 N 0.47 -0.24 -0.62 0.65 3.20 -1.66 0.22 116.97 118.98 1iq0 h TYR 472 Ca 0.22 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 1iq0 h TYR 472 Cb 0.27 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1iq0 h TYR 472 CO -0.00 -0.15 0.06 0.28 -1.64 0.00 0.00 178.16 176.72 1iq0 h VAL 473 N -0.21 1.26 -0.80 1.81 2.07 -1.21 -2.31 116.25 116.87 1iq0 h VAL 473 Ca 0.01 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1iq0 h VAL 473 Cb 0.21 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1iq0 h VAL 473 CO -0.03 0.39 0.42 1.56 0.02 0.00 0.00 177.57 179.93 1iq0 h GLN 474 N 0.96 1.12 -0.73 1.57 4.20 -0.55 -2.06 115.11 119.63 1iq0 h GLN 474 Ca 0.19 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1iq0 h GLN 474 Cb 0.47 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1iq0 h GLN 474 CO 0.02 0.84 0.24 -0.92 -0.67 0.00 0.00 178.83 178.34 1iq0 h TYR 475 N 1.11 1.14 -0.64 2.96 3.20 -0.26 -0.42 116.97 124.07 1iq0 h TYR 475 Ca 0.28 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1iq0 h TYR 475 Cb 0.06 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 1iq0 h TYR 475 CO 0.01 0.89 0.24 0.00 -1.64 0.00 0.00 178.16 177.66 1iq0 h ALA 476 N 1.19 1.23 -0.29 1.82 0.00 -1.07 0.48 119.26 122.62 1iq0 h ALA 476 Ca 0.24 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1iq0 h ALA 476 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1iq0 h ALA 476 CO -0.01 0.56 -0.03 1.25 0.00 0.00 0.00 179.25 181.01 1iq0 h HIS 477 N 0.92 0.59 -0.50 0.00 -0.00 -0.68 -2.11 115.15 113.36 1iq0 h HIS 477 Ca 0.21 -0.11 -0.07 0.00 -0.00 0.00 0.00 60.37 60.40 1iq0 h HIS 477 Cb 0.20 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 1iq0 h HIS 477 CO 0.01 0.70 0.03 0.00 -0.00 0.00 0.00 177.93 178.67 1iq0 h ALA 478 N 0.80 1.10 -0.14 5.26 0.00 -0.72 -0.62 119.26 124.95 1iq0 h ALA 478 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1iq0 h ALA 478 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1iq0 h ALA 478 CO 0.02 0.58 0.04 -0.09 0.00 0.00 0.00 179.25 179.80 1iq0 h ARG 479 N 0.77 0.22 -0.53 0.00 9.65 -0.84 -0.33 114.38 123.32 1iq0 h ARG 479 Ca 0.15 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 1iq0 h ARG 479 Cb 0.43 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 1iq0 h ARG 479 CO 0.02 0.35 0.28 0.00 2.80 0.00 0.00 179.97 183.42 1iq0 h ALA 480 N 0.85 0.68 -0.52 2.80 0.00 -1.21 -2.76 119.26 119.10 1iq0 h ALA 480 Ca 0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1iq0 h ALA 480 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1iq0 h ALA 480 CO -0.00 0.21 0.12 1.25 0.00 0.00 0.00 179.25 180.83 1iq0 h HIS 481 N 0.71 0.82 -0.40 0.00 -0.00 -0.98 -2.66 115.15 112.64 1iq0 h HIS 481 Ca 0.18 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.45 1iq0 h HIS 481 Cb 0.07 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.22 1iq0 h HIS 481 CO -0.01 0.69 0.13 0.66 -0.00 0.00 0.00 177.93 179.40 1iq0 h SER 482 N 0.77 0.53 -0.34 3.26 4.64 -0.77 -1.17 113.55 120.47 1iq0 h SER 482 Ca 0.17 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1iq0 h SER 482 Cb 0.29 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1iq0 h SER 482 CO -0.00 0.51 0.09 0.40 -0.87 0.00 0.00 176.83 176.96 1iq0 h ILE 483 N 0.58 1.22 -0.29 0.95 2.04 -1.34 -2.10 117.51 118.56 1iq0 h ILE 483 Ca 0.14 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 1iq0 h ILE 483 Cb 0.17 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1iq0 h ILE 483 CO -0.01 0.25 -0.02 -0.07 0.00 0.00 0.00 178.15 178.30 1iq0 h LEU 484 N 0.40 0.42 -0.30 1.44 3.38 -1.31 -1.18 115.31 118.15 1iq0 h LEU 484 Ca 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1iq0 h LEU 484 Cb 0.28 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1iq0 h LEU 484 CO -0.00 0.50 0.12 -0.09 0.09 0.00 0.00 178.44 179.06 1iq0 h ARG 485 N 0.43 0.46 0.00 1.13 2.43 -0.88 -2.66 114.38 115.29 1iq0 h ARG 485 Ca 0.09 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1iq0 h ARG 485 Cb 0.32 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1iq0 h ARG 485 CO 0.01 0.48 -0.49 0.87 -1.51 0.00 0.00 179.97 179.34 1iq0 h LYS 486 N 0.34 0.00 -0.00 0.20 1.57 -1.01 -3.28 116.57 114.39 1iq0 h LYS 486 Ca 0.10 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.66 1iq0 h LYS 486 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1iq0 h LYS 486 CO -0.01 0.49 -0.93 0.00 -0.57 0.00 0.00 179.45 178.43 1iq0 h ALA 487 N 1.51 0.38 -0.21 3.86 0.00 -1.06 -3.50 119.26 120.25 1iq0 h ALA 487 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1iq0 h ALA 487 Cb 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1iq0 h ALA 487 CO 0.06 0.83 0.00 0.41 0.00 0.00 0.00 179.25 180.55 1iq0 n GLY 488 N 0.93 -0.07 3.84 0.00 0.00 -1.02 -4.80 105.19 104.07 1iq0 n GLY 488 Ca -0.06 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 1iq0 n GLY 488 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iq0 s GLU 489 N 0.00 4.01 0.11 1.61 0.41 -1.26 -4.95 118.70 118.63 1iq0 s GLU 489 Ca 0.00 0.99 -0.07 0.00 -0.41 0.00 0.00 54.97 55.48 1iq0 s GLU 489 Cb 0.00 -2.14 -0.01 0.00 -1.78 0.00 0.00 34.13 30.19 1iq0 s GLU 489 CO 0.00 -0.22 0.19 1.67 -0.49 0.00 0.00 175.26 176.41 1iq0 s TRP 490 N -2.53 0.34 0.00 1.61 -2.14 -1.26 -5.17 118.94 109.78 1iq0 s TRP 490 Ca 0.60 -0.75 0.00 0.00 2.66 0.00 0.00 56.10 58.60 1iq0 s TRP 490 Cb -0.10 -0.13 0.00 0.00 -3.10 0.00 0.00 33.47 30.14 1iq0 s TRP 490 CO 0.27 -0.58 0.00 0.41 -2.66 0.00 0.00 176.95 174.39 1iq0 n GLY 491 N -0.10 1.49 3.73 3.67 0.00 -1.26 -5.04 105.19 107.67 1iq0 n GLY 491 Ca -0.11 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1iq0 n GLY 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq0 s ALA 492 N -2.55 3.90 0.40 4.61 0.00 -1.26 -4.85 121.76 122.02 1iq0 s ALA 492 Ca 0.00 1.58 -0.25 0.00 0.00 0.00 0.00 51.96 53.29 1iq0 s ALA 492 Cb 0.00 -3.68 -0.08 0.00 0.00 0.00 0.00 23.12 19.35 1iq0 s ALA 492 CO 0.00 -0.93 1.14 -2.14 0.00 0.00 0.00 175.76 173.83 1iq0 s PRO 493 N 0.88 4.07 -0.71 0.00 0.02 -1.26 -4.76 135.00 133.23 1iq0 s PRO 493 Ca 0.73 1.75 -0.10 0.00 0.02 0.00 0.00 61.00 63.40 1iq0 s PRO 493 Cb -0.49 -2.63 0.19 0.00 0.02 0.00 0.00 34.50 31.59 1iq0 s PRO 493 CO 0.35 -0.28 0.60 0.34 -0.33 0.00 0.00 177.00 177.68 1iq0 s ASP 494 N -1.26 6.10 0.53 2.53 -1.08 -0.81 -4.86 116.67 117.82 1iq0 s ASP 494 Ca 0.58 -2.65 0.25 0.00 -0.52 0.00 0.00 52.55 50.20 1iq0 s ASP 494 Cb -0.28 -2.06 1.40 0.00 -1.46 0.00 0.00 42.92 40.52 1iq0 s ASP 494 CO 0.35 -0.52 2.01 -0.07 0.52 0.00 0.00 175.17 177.46 1iq0 h LEU 495 N 7.60 0.00 -2.19 -1.34 3.38 -1.94 -2.01 115.31 118.81 1iq0 h LEU 495 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1iq0 h LEU 495 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1iq0 h LEU 495 CO 0.76 0.00 -0.01 0.77 0.09 0.00 0.00 178.44 180.05 1iq0 h SER 496 N 0.00 0.00 -0.12 -0.43 4.64 -1.96 -2.44 113.55 113.24 1iq0 h SER 496 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1iq0 h SER 496 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1iq0 h SER 496 CO -0.00 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1iq0 n GLN 497 N -3.14 1.61 -1.80 4.77 6.02 -0.75 -4.95 117.38 119.14 1iq0 n GLN 497 Ca -0.01 -0.90 -0.41 0.00 -0.01 0.00 0.00 57.00 55.66 1iq0 n GLN 497 Cb 0.19 -1.40 -0.00 0.00 1.02 0.00 0.00 30.24 30.05 1iq0 n GLN 497 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iq0 s ALA 498 N -1.85 3.60 0.46 -1.58 0.00 -0.92 -4.96 121.76 116.50 1iq0 s ALA 498 Ca 0.33 1.58 0.07 0.00 0.00 0.00 0.00 51.96 53.94 1iq0 s ALA 498 Cb 0.17 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 1iq0 s ALA 498 CO 0.27 -1.05 0.41 0.95 0.00 0.00 0.00 175.76 176.34 1iq0 s THR 499 N -0.94 2.38 0.64 0.00 -4.23 -1.26 -4.97 115.64 107.26 1iq0 s THR 499 Ca 0.54 -1.36 0.34 0.00 -1.18 0.00 0.00 61.69 60.03 1iq0 s THR 499 Cb -0.47 -2.75 0.37 0.00 1.34 0.00 0.00 72.50 70.99 1iq0 s THR 499 CO 0.61 0.00 2.12 -0.65 -0.54 0.00 0.00 174.62 176.16 1iq0 h PRO 500 N 0.92 0.00 -0.25 3.99 0.11 -1.99 -1.11 132.00 133.67 1iq0 h PRO 500 Ca -0.40 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 1iq0 h PRO 500 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1iq0 h PRO 500 CO 0.57 0.00 -0.29 1.88 -0.21 0.00 0.00 178.00 179.95 1iq0 h TYR 501 N 0.00 0.77 -0.39 0.65 -1.99 -1.98 -1.20 116.97 112.83 1iq0 h TYR 501 Ca 0.04 -0.24 -0.06 0.00 2.00 0.00 0.00 58.73 60.46 1iq0 h TYR 501 Cb 0.42 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 1iq0 h TYR 501 CO 0.00 0.97 -0.00 0.93 -0.00 0.00 0.00 178.16 180.05 1iq0 h GLU 502 N 0.35 0.70 0.10 4.88 3.07 -1.60 -2.60 114.58 119.48 1iq0 h GLU 502 Ca 0.04 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 1iq0 h GLU 502 Cb 0.85 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1iq0 h GLU 502 CO 0.07 0.79 -0.05 -0.09 -1.40 0.00 0.00 179.01 178.33 1iq0 h ARG 503 N 0.52 -0.13 -0.65 2.33 2.43 -1.40 0.19 114.38 117.68 1iq0 h ARG 503 Ca 0.11 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1iq0 h ARG 503 Cb 0.48 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 1iq0 h ARG 503 CO 0.02 -0.06 0.38 0.00 -1.51 0.00 0.00 179.97 178.80 1iq0 h ALA 504 N 0.73 0.85 -0.28 2.80 0.00 -1.24 -0.95 119.26 121.16 1iq0 h ALA 504 Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1iq0 h ALA 504 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1iq0 h ALA 504 CO 0.02 0.11 -0.14 1.25 0.00 0.00 0.00 179.25 180.49 1iq0 h LEU 505 N 0.74 0.61 -0.93 0.00 5.85 -1.32 -2.84 115.31 117.42 1iq0 h LEU 505 Ca 0.27 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1iq0 h LEU 505 Cb 0.08 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1iq0 h LEU 505 CO -0.13 0.89 0.59 0.00 -0.34 0.00 0.00 178.44 179.45 1iq0 h ALA 506 N 0.75 1.28 -0.89 1.25 0.00 -0.66 -2.01 119.26 118.99 1iq0 h ALA 506 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1iq0 h ALA 506 Cb 0.65 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1iq0 h ALA 506 CO 0.04 0.37 0.51 1.25 0.00 0.00 0.00 179.25 181.42 1iq0 h LEU 507 N 1.08 1.09 -1.37 0.00 5.85 -1.06 -1.21 115.31 119.69 1iq0 h LEU 507 Ca 0.40 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.98 1iq0 h LEU 507 Cb 0.15 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1iq0 h LEU 507 CO -0.17 0.86 -0.19 0.44 -0.34 0.00 0.00 178.44 179.04 1iq0 h ASP 508 N 1.23 0.17 0.49 1.25 3.32 -1.14 -1.75 116.42 120.00 1iq0 h ASP 508 Ca 0.31 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.27 1iq0 h ASP 508 Cb -0.00 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1iq0 h ASP 508 CO -0.05 0.38 -0.28 -0.07 -1.72 0.00 0.00 179.24 177.50 1iq0 h LEU 509 N 0.17 0.00 0.00 1.55 3.38 -0.71 -2.62 115.31 117.08 1iq0 h LEU 509 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1iq0 h LEU 509 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1iq0 h LEU 509 CO 0.03 0.28 0.00 0.18 0.09 0.00 0.00 178.44 179.02 1iq0 n LEU 510 N -3.81 0.00 -0.37 1.67 4.77 -0.66 -2.79 117.00 115.81 1iq0 n LEU 510 Ca -0.01 0.48 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 1iq0 n LEU 510 Cb 0.37 -0.48 0.25 0.00 -2.33 0.00 0.00 43.42 41.23 1iq0 n LEU 510 CO 0.35 -0.17 0.55 0.47 -1.33 0.00 0.00 177.39 177.26 1iq0 n ASP 511 N -1.48 1.48 0.09 -1.43 8.00 -0.99 -4.50 116.55 117.72 1iq0 n ASP 511 Ca 0.05 -1.19 -0.13 0.00 0.71 0.00 0.00 54.79 54.23 1iq0 n ASP 511 Cb 0.21 0.24 -0.07 0.00 -0.02 0.00 0.00 41.12 41.49 1iq0 n ASP 511 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1iq0 h PHE 512 N 1.84 -0.18 -0.48 1.24 3.57 -1.66 -2.27 116.94 119.00 1iq0 h PHE 512 Ca 0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1iq0 h PHE 512 Cb 0.61 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1iq0 h PHE 512 CO 0.00 -0.11 0.17 0.93 -2.23 0.00 0.00 178.31 177.07 1iq0 h GLU 513 N -0.17 0.69 -0.38 1.11 5.08 -1.83 -1.63 114.58 117.45 1iq0 h GLU 513 Ca -0.00 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1iq0 h GLU 513 Cb 0.15 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1iq0 h GLU 513 CO -0.01 0.59 -0.25 1.49 -1.00 0.00 0.00 179.01 179.83 1iq0 h GLU 514 N 0.68 0.77 -0.73 2.33 4.57 -1.80 -0.48 114.58 119.92 1iq0 h GLU 514 Ca 0.16 -0.32 -0.07 0.00 -1.18 0.00 0.00 59.36 57.95 1iq0 h GLU 514 Cb 0.17 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 1iq0 h GLU 514 CO -0.01 0.94 0.19 0.00 -1.18 0.00 0.00 179.01 178.95 1iq0 h ALA 515 N 1.05 0.97 -0.21 2.92 0.00 -0.85 0.21 119.26 123.35 1iq0 h ALA 515 Ca 0.09 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1iq0 h ALA 515 Cb 0.77 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1iq0 h ALA 515 CO 0.06 0.67 -0.05 0.28 0.00 0.00 0.00 179.25 180.22 1iq0 h VAL 516 N 1.09 1.28 -0.34 0.00 2.07 -0.98 -2.07 116.25 117.31 1iq0 h VAL 516 Ca 0.23 -1.03 -0.14 0.00 0.82 0.00 0.00 66.70 66.59 1iq0 h VAL 516 Cb 0.35 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1iq0 h VAL 516 CO -0.00 0.31 -0.34 -0.07 0.02 0.00 0.00 177.57 177.49 1iq0 h LEU 517 N 0.12 0.79 -0.41 2.57 3.38 -0.98 -1.08 115.31 119.70 1iq0 h LEU 517 Ca 0.05 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1iq0 h LEU 517 Cb 0.49 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1iq0 h LEU 517 CO 0.02 1.06 -0.01 -0.08 0.09 0.00 0.00 178.44 179.52 1iq0 h GLU 518 N 0.63 0.74 -0.98 1.13 4.81 -0.99 0.11 114.58 120.03 1iq0 h GLU 518 Ca 0.06 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1iq0 h GLU 518 Cb 0.88 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.15 1iq0 h GLU 518 CO 0.08 0.82 0.63 0.00 -0.73 0.00 0.00 179.01 179.81 1iq0 h ALA 519 N 0.89 1.26 -0.06 2.92 0.00 -1.23 0.13 119.26 123.17 1iq0 h ALA 519 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1iq0 h ALA 519 Cb 0.50 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1iq0 h ALA 519 CO 0.02 0.66 -0.04 0.00 0.00 0.00 0.00 179.25 179.89 1iq0 h ALA 520 N 1.36 0.09 -0.40 0.00 0.00 -0.89 0.18 119.26 119.59 1iq0 h ALA 520 Ca 0.36 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1iq0 h ALA 520 Cb -0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1iq0 h ALA 520 CO -0.07 -0.14 -0.12 0.93 0.00 0.00 0.00 179.25 179.85 1iq0 h GLU 521 N -0.28 0.72 -0.01 0.00 5.08 -0.56 -3.01 114.58 116.52 1iq0 h GLU 521 Ca 0.01 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1iq0 h GLU 521 Cb 0.51 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1iq0 h GLU 521 CO 0.01 0.81 -0.50 0.39 -1.00 0.00 0.00 179.01 178.72 1iq0 n GLU 522 N -4.17 0.72 -3.48 2.33 -0.58 0.44 -4.97 120.64 110.93 1iq0 n GLU 522 Ca 0.01 -0.53 -0.18 0.00 -0.42 0.00 0.00 57.16 56.04 1iq0 n GLU 522 Cb 0.36 -1.49 0.08 0.00 -0.57 0.00 0.00 31.44 29.82 1iq0 n GLU 522 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1iq0 n ARG 523 N -0.67 -6.32 -3.58 3.49 1.74 0.45 -4.98 116.66 106.79 1iq0 n ARG 523 Ca 0.09 0.81 -0.29 0.00 -0.77 0.00 0.00 57.85 57.69 1iq0 n ARG 523 Cb 0.39 -5.74 -0.12 0.00 -1.02 0.00 0.00 32.46 25.97 1iq0 n ARG 523 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1iq0 s THR 524 N -3.42 0.90 0.55 0.55 -4.23 -0.08 -4.98 115.64 104.93 1iq0 s THR 524 Ca 0.01 -2.44 0.23 0.00 -1.18 0.00 0.00 61.69 58.31 1iq0 s THR 524 Cb -0.00 -1.63 0.33 0.00 1.34 0.00 0.00 72.50 72.54 1iq0 s THR 524 CO 0.75 -1.00 2.11 -0.65 -0.54 0.00 0.00 174.62 175.29 1iq0 h PRO 525 N 6.50 0.00 -0.09 3.99 0.11 -1.88 -2.18 132.00 138.45 1iq0 h PRO 525 Ca 0.08 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.22 1iq0 h PRO 525 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1iq0 h PRO 525 CO 0.41 0.00 0.15 1.12 -0.21 0.00 0.00 178.00 179.46 1iq0 h HIS 526 N 0.00 0.00 -0.23 0.65 2.07 -1.85 0.79 115.15 116.58 1iq0 h HIS 526 Ca 0.08 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.47 1iq0 h HIS 526 Cb 0.37 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.34 1iq0 h HIS 526 CO 0.00 0.00 -0.40 0.28 -3.07 0.00 0.00 177.93 174.74 1iq0 h VAL 527 N 0.00 1.30 -0.07 6.12 2.07 -1.70 0.56 116.25 124.52 1iq0 h VAL 527 Ca 0.04 -1.55 -0.18 0.00 0.82 0.00 0.00 66.70 65.83 1iq0 h VAL 527 Cb 0.33 1.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1iq0 h VAL 527 CO -0.00 0.49 -0.68 0.25 0.02 0.00 0.00 177.57 177.65 1iq0 h LEU 528 N 0.45 0.72 -0.38 2.57 6.46 -1.05 -2.00 115.31 122.06 1iq0 h LEU 528 Ca 0.04 -0.68 0.04 0.00 -0.12 0.00 0.00 57.88 57.16 1iq0 h LEU 528 Cb 0.89 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.56 1iq0 h LEU 528 CO 0.08 1.29 0.15 0.00 -0.62 0.00 0.00 178.44 179.35 1iq0 h ALA 529 N 0.44 0.46 -0.73 1.25 0.00 -1.12 -0.80 119.26 118.75 1iq0 h ALA 529 Ca -0.06 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1iq0 h ALA 529 Cb 1.34 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1iq0 h ALA 529 CO 0.14 -0.23 0.22 0.37 0.00 0.00 0.00 179.25 179.75 1iq0 h GLN 530 N 0.33 1.14 -0.98 0.00 5.75 -0.89 -2.26 115.11 118.19 1iq0 h GLN 530 Ca 0.17 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1iq0 h GLN 530 Cb 0.13 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.47 1iq0 h GLN 530 CO -0.16 0.97 0.63 -0.92 -2.65 0.00 0.00 178.83 176.71 1iq0 h TYR 531 N 1.09 1.25 -0.35 3.99 3.20 -0.62 -1.66 116.97 123.88 1iq0 h TYR 531 Ca 0.24 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 1iq0 h TYR 531 Cb 0.31 -0.42 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1iq0 h TYR 531 CO 0.03 0.80 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.18 1iq0 h LEU 532 N 1.34 0.58 -0.24 2.82 3.38 -0.67 0.62 115.31 123.13 1iq0 h LEU 532 Ca 0.36 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1iq0 h LEU 532 Cb -0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1iq0 h LEU 532 CO -0.07 0.71 0.04 -0.07 0.09 0.00 0.00 178.44 179.14 1iq0 h LEU 533 N 0.55 0.39 -0.73 1.67 3.38 -0.90 -0.69 115.31 118.97 1iq0 h LEU 533 Ca 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1iq0 h LEU 533 Cb 0.50 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1iq0 h LEU 533 CO 0.03 0.55 0.38 0.44 0.09 0.00 0.00 178.44 179.93 1iq0 h ASP 534 N 0.21 0.94 -0.47 -0.43 3.32 -0.93 -0.32 116.42 118.73 1iq0 h ASP 534 Ca 0.07 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 1iq0 h ASP 534 Cb 0.33 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1iq0 h ASP 534 CO 0.01 0.78 -0.19 0.25 -1.72 0.00 0.00 179.24 178.37 1iq0 h LEU 535 N 1.02 0.98 -1.02 1.55 5.85 -0.77 -0.39 115.31 122.54 1iq0 h LEU 535 Ca 0.26 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 1iq0 h LEU 535 Cb 0.07 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1iq0 h LEU 535 CO -0.04 1.15 -0.04 0.00 -0.34 0.00 0.00 178.44 179.17 1iq0 h ALA 536 N 0.86 1.19 -0.50 1.25 0.00 -0.89 0.96 119.26 122.13 1iq0 h ALA 536 Ca 0.11 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1iq0 h ALA 536 Cb 0.76 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1iq0 h ALA 536 CO 0.06 0.53 -0.18 0.00 0.00 0.00 0.00 179.25 179.65 1iq0 h ALA 537 N 1.35 0.73 -0.52 0.00 0.00 -0.75 -1.02 119.26 119.04 1iq0 h ALA 537 Ca 0.12 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1iq0 h ALA 537 Cb 0.45 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1iq0 h ALA 537 CO 0.02 0.67 0.01 1.03 0.00 0.00 0.00 179.25 180.98 1iq0 h SER 538 N 0.87 0.90 -0.46 0.00 0.87 -0.54 -1.56 113.55 113.63 1iq0 h SER 538 Ca 0.12 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1iq0 h SER 538 Cb 0.76 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1iq0 h SER 538 CO 0.06 0.98 0.16 -0.25 -0.53 0.00 0.00 176.83 177.25 1iq0 h TRP 539 N 0.79 0.72 -0.49 2.24 2.91 -0.66 -1.41 115.95 120.05 1iq0 h TRP 539 Ca 0.15 -0.06 -0.03 0.00 1.13 0.00 0.00 58.89 60.07 1iq0 h TRP 539 Cb 0.52 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.94 1iq0 h TRP 539 CO 0.04 0.63 0.18 -0.91 -1.03 0.00 0.00 178.44 177.35 1iq0 h ASN 540 N 0.60 0.69 -0.71 2.65 2.35 -1.03 0.15 115.58 120.27 1iq0 h ASN 540 Ca 0.15 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 1iq0 h ASN 540 Cb 0.24 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1iq0 h ASN 540 CO -0.01 0.68 0.24 0.00 -1.65 0.00 0.00 177.43 176.70 1iq0 h ALA 541 N 1.03 1.06 0.03 -0.83 0.00 -1.23 0.78 119.26 120.11 1iq0 h ALA 541 Ca 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1iq0 h ALA 541 Cb 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1iq0 h ALA 541 CO -0.01 0.64 -0.02 -0.92 0.00 0.00 0.00 179.25 178.95 1iq0 h TYR 542 N 1.07 -0.04 -0.67 0.00 3.20 -0.92 -1.69 116.97 117.92 1iq0 h TYR 542 Ca 0.24 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 1iq0 h TYR 542 Cb 0.27 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1iq0 h TYR 542 CO 0.02 0.13 0.30 -0.92 -1.64 0.00 0.00 178.16 176.05 1iq0 h TYR 543 N -0.20 0.99 0.00 -3.82 3.20 -0.41 -3.08 116.97 113.64 1iq0 h TYR 543 Ca -0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1iq0 h TYR 543 Cb 0.19 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1iq0 h TYR 543 CO -0.02 0.76 0.00 0.09 -1.64 0.00 0.00 178.16 177.35 1iq0 n ASN 544 N -4.43 0.56 -4.62 -2.11 3.02 0.24 -4.85 115.26 103.07 1iq0 n ASN 544 Ca 0.05 0.56 -0.46 0.00 -0.03 0.00 0.00 54.58 54.71 1iq0 n ASN 544 Cb 0.15 -0.71 -0.02 0.00 -0.61 0.00 0.00 39.78 38.58 1iq0 n ASN 544 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iq0 n ALA 545 N -1.70 0.14 -2.89 5.41 0.00 -0.64 -4.91 120.51 115.92 1iq0 n ALA 545 Ca 0.05 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 1iq0 n ALA 545 Cb 0.37 -2.11 -0.11 0.00 0.00 0.00 0.00 19.45 17.60 1iq0 n ALA 545 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iq0 s ARG 546 N -0.97 0.39 -0.23 0.00 0.52 -1.26 -1.41 118.95 116.00 1iq0 s ARG 546 Ca 0.65 -0.65 -0.22 0.00 -0.52 0.00 0.00 55.73 54.98 1iq0 s ARG 546 Cb -0.71 0.14 0.06 0.00 0.52 0.00 0.00 34.95 34.96 1iq0 s ARG 546 CO 0.55 -0.07 0.63 -1.21 0.02 0.00 0.00 175.30 175.22 1iq0 s GLU 547 N -1.80 0.75 -1.47 3.54 2.02 -0.02 -4.76 118.70 116.96 1iq0 s GLU 547 Ca -0.13 0.85 -0.10 0.00 0.02 0.00 0.00 54.97 55.62 1iq0 s GLU 547 Cb -0.07 0.36 0.06 0.00 0.10 0.00 0.00 34.13 34.58 1iq0 s GLU 547 CO -0.02 -0.10 0.88 0.09 0.02 0.00 0.00 175.26 176.14 1iq0 n ASN 548 N 2.66 -3.61 -0.94 -0.19 5.03 -1.26 -1.84 115.26 115.10 1iq0 n ASN 548 Ca -0.14 -0.80 -0.12 0.00 0.87 0.00 0.00 54.58 54.39 1iq0 n ASN 548 Cb 0.56 -3.88 -0.05 0.00 -1.02 0.00 0.00 39.78 35.39 1iq0 n ASN 548 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1iq0 n GLY 549 N -1.67 1.14 3.36 7.41 0.00 -1.26 -5.01 105.19 109.17 1iq0 n GLY 549 Ca -0.07 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 1iq0 n GLY 549 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1iq0 s GLN 550 N -3.16 1.15 0.33 1.61 -2.07 -0.77 -5.13 119.66 111.62 1iq0 s GLN 550 Ca 0.00 -0.94 -0.29 0.00 -1.82 0.00 0.00 55.36 52.31 1iq0 s GLN 550 Cb 0.00 0.44 -0.12 0.00 -1.09 0.00 0.00 33.01 32.24 1iq0 s GLN 550 CO 0.00 -0.44 1.53 -2.30 -1.32 0.00 0.00 175.29 172.76 1iq0 n PRO 551 N -0.23 2.64 0.00 9.60 -0.02 -1.26 -0.84 135.00 144.89 1iq0 n PRO 551 Ca -0.11 0.93 0.11 0.00 -2.02 0.00 0.00 63.50 62.41 1iq0 n PRO 551 Cb 0.63 -2.68 0.04 0.00 -0.02 0.00 0.00 33.50 31.47 1iq0 n PRO 551 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iq0 n ALA 552 N 1.38 4.06 -2.34 3.55 0.00 -0.50 -4.42 120.51 122.23 1iq0 n ALA 552 Ca 0.06 -0.47 -0.03 0.00 0.00 0.00 0.00 53.44 52.99 1iq0 n ALA 552 Cb 0.37 -0.93 0.06 0.00 0.00 0.00 0.00 19.45 18.95 1iq0 n ALA 552 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1iq0 n THR 553 N -1.58 1.38 -1.74 0.00 5.66 -1.26 -5.01 114.28 111.73 1iq0 n THR 553 Ca 0.04 -2.75 -0.39 0.00 -3.05 0.00 0.00 64.05 57.89 1iq0 n THR 553 Cb 0.35 0.40 0.03 0.00 -1.55 0.00 0.00 70.33 69.56 1iq0 n THR 553 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1iq0 n PRO 554 N -0.42 1.94 -0.08 1.09 -0.04 -1.26 -4.97 135.00 131.25 1iq0 n PRO 554 Ca 0.17 0.70 -0.08 0.00 -0.04 0.00 0.00 63.50 64.25 1iq0 n PRO 554 Cb 0.91 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 1iq0 n PRO 554 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1iq0 n VAL 555 N -0.61 1.36 0.27 0.52 0.31 -1.26 -4.11 118.33 114.81 1iq0 n VAL 555 Ca 0.08 0.18 0.14 0.00 -0.01 0.00 0.00 64.34 64.72 1iq0 n VAL 555 Cb 0.43 -2.28 0.78 0.00 -0.91 0.00 0.00 33.84 31.85 1iq0 n VAL 555 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1iq0 h LEU 556 N -0.91 0.00 -2.40 7.52 3.38 -1.93 -2.28 115.31 118.68 1iq0 h LEU 556 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iq0 h LEU 556 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1iq0 h LEU 556 CO 0.00 0.09 0.00 0.35 0.09 0.00 0.00 178.44 178.97 1iq0 n THR 557 N -3.57 0.61 -2.68 0.22 -2.24 -1.26 -4.97 114.28 100.39 1iq0 n THR 557 Ca -0.02 -0.80 -0.34 0.00 -2.27 0.00 0.00 64.05 60.62 1iq0 n THR 557 Cb 0.22 0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 1iq0 n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iq0 s ALA 558 N -1.29 2.98 0.86 6.98 0.00 -0.86 -5.03 121.76 125.40 1iq0 s ALA 558 Ca 0.36 0.52 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 1iq0 s ALA 558 Cb 0.21 -3.21 0.11 0.00 0.00 0.00 0.00 23.12 20.23 1iq0 s ALA 558 CO 0.28 -0.08 1.09 -1.25 0.00 0.00 0.00 175.76 175.80 1iq0 s PRO 559 N -3.10 1.55 0.24 0.00 0.04 -1.26 -4.35 135.00 128.11 1iq0 s PRO 559 Ca 0.63 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 1iq0 s PRO 559 Cb -0.14 -1.83 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 1iq0 s PRO 559 CO 0.18 -2.09 1.02 -1.91 0.04 0.00 0.00 177.00 174.24 1iq0 n GLU 560 N -3.80 1.14 0.00 4.56 2.13 -1.26 -1.62 120.64 121.79 1iq0 n GLU 560 Ca 0.08 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1iq0 n GLU 560 Cb 0.54 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.47 1iq0 n GLU 560 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1iq0 n GLY 561 N 1.59 2.50 0.19 8.31 0.00 -1.26 -4.65 105.19 111.87 1iq0 n GLY 561 Ca 0.12 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.42 1iq0 n GLY 561 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1iq0 h LEU 562 N 0.00 0.85 -0.24 0.99 6.46 -1.60 -2.00 115.31 119.78 1iq0 h LEU 562 Ca 0.00 -0.67 0.01 0.00 -0.12 0.00 0.00 57.88 57.10 1iq0 h LEU 562 Cb 0.00 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.65 1iq0 h LEU 562 CO 0.00 1.47 0.13 -0.09 -0.62 0.00 0.00 178.44 179.33 1iq0 h ARG 563 N 0.38 0.26 -0.52 1.25 2.43 -1.50 0.08 114.38 116.76 1iq0 h ARG 563 Ca -0.11 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1iq0 h ARG 563 Cb 1.65 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 31.11 1iq0 h ARG 563 CO 0.19 0.17 0.27 0.93 -1.51 0.00 0.00 179.97 180.03 1iq0 h GLU 564 N 0.27 0.74 -0.29 0.20 3.07 -1.84 -0.56 114.58 116.17 1iq0 h GLU 564 Ca 0.09 -0.09 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1iq0 h GLU 564 Cb 0.01 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 1iq0 h GLU 564 CO -0.05 0.59 0.12 1.25 -1.40 0.00 0.00 179.01 179.51 1iq0 h LEU 565 N 0.70 0.15 -1.02 1.33 5.85 -0.96 -1.33 115.31 120.03 1iq0 h LEU 565 Ca 0.18 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 1iq0 h LEU 565 Cb 0.07 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1iq0 h LEU 565 CO -0.03 0.12 -0.21 0.03 -0.34 0.00 0.00 178.44 178.01 1iq0 h ARG 566 N 0.26 0.45 -0.51 1.25 3.08 -0.74 -1.58 114.38 116.60 1iq0 h ARG 566 Ca 0.12 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1iq0 h ARG 566 Cb 0.07 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1iq0 h ARG 566 CO -0.11 0.65 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.33 1iq0 h LEU 567 N 0.41 0.91 -0.81 3.04 3.38 -0.72 0.11 115.31 121.63 1iq0 h LEU 567 Ca 0.07 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 1iq0 h LEU 567 Cb 0.60 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1iq0 h LEU 567 CO 0.04 1.02 -0.26 0.28 0.09 0.00 0.00 178.44 179.60 1iq0 h SER 568 N 0.78 0.60 -0.39 -0.43 0.02 -1.03 0.82 113.55 113.93 1iq0 h SER 568 Ca 0.14 -0.22 -0.15 0.00 -0.84 0.00 0.00 61.79 60.72 1iq0 h SER 568 Cb 0.57 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1iq0 h SER 568 CO 0.03 0.85 -0.35 0.25 -1.14 0.00 0.00 176.83 176.47 1iq0 h LEU 569 N 0.52 0.99 -0.76 5.07 5.85 -1.08 -0.21 115.31 125.69 1iq0 h LEU 569 Ca 0.07 -0.46 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 1iq0 h LEU 569 Cb 0.73 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1iq0 h LEU 569 CO 0.06 1.24 0.14 0.58 -0.34 0.00 0.00 178.44 180.12 1iq0 h VAL 570 N 0.76 1.26 -0.34 1.05 2.07 -0.51 -1.20 116.25 119.34 1iq0 h VAL 570 Ca 0.07 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 1iq0 h VAL 570 Cb 0.95 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1iq0 h VAL 570 CO 0.09 0.37 0.03 -0.61 0.02 0.00 0.00 177.57 177.48 1iq0 h GLN 571 N 1.02 0.58 -0.90 1.57 4.15 -0.63 -0.68 115.11 120.21 1iq0 h GLN 571 Ca 0.21 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1iq0 h GLN 571 Cb 0.39 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 1iq0 h GLN 571 CO 0.01 0.68 0.55 1.03 -1.93 0.00 0.00 178.83 179.16 1iq0 h SER 572 N 0.40 1.08 -0.37 -0.69 0.87 -0.80 -0.48 113.55 113.57 1iq0 h SER 572 Ca 0.10 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 1iq0 h SER 572 Cb 0.39 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1iq0 h SER 572 CO 0.01 0.83 -0.06 0.25 -0.53 0.00 0.00 176.83 177.33 1iq0 h LEU 573 N 1.24 0.68 -0.61 2.23 5.85 -0.93 -0.81 115.31 122.97 1iq0 h LEU 573 Ca 0.32 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1iq0 h LEU 573 Cb -0.06 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1iq0 h LEU 573 CO -0.06 0.87 0.09 0.06 -0.34 0.00 0.00 178.44 179.06 1iq0 h GLN 574 N 0.49 1.01 -0.66 1.25 -0.00 -0.81 -0.91 115.11 115.47 1iq0 h GLN 574 Ca 0.10 -0.27 -0.08 0.00 -0.00 0.00 0.00 58.65 58.39 1iq0 h GLN 574 Cb 0.55 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.48 27.89 1iq0 h GLN 574 CO 0.03 0.95 0.08 0.00 -0.00 0.00 0.00 178.83 179.89 1iq0 h ARG 575 N 0.91 1.10 -0.55 0.06 3.08 -1.04 -0.64 114.38 117.31 1iq0 h ARG 575 Ca 0.18 -0.31 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 1iq0 h ARG 575 Cb 0.43 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1iq0 h ARG 575 CO 0.01 1.02 -0.07 1.15 -1.07 0.00 0.00 179.97 181.02 1iq0 h THR 576 N 1.02 1.27 -0.34 2.04 2.02 -0.89 -0.59 112.91 117.44 1iq0 h THR 576 Ca 0.20 -1.22 -0.15 0.00 0.77 0.00 0.00 66.41 66.01 1iq0 h THR 576 Cb 0.47 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1iq0 h THR 576 CO 0.02 0.43 -0.39 -0.07 0.37 0.00 0.00 175.52 175.88 1iq0 h LEU 577 N 0.89 0.89 -0.27 2.58 3.38 -1.05 -0.33 115.31 121.40 1iq0 h LEU 577 Ca 0.15 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1iq0 h LEU 577 Cb 0.63 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1iq0 h LEU 577 CO 0.04 1.17 0.09 0.00 0.09 0.00 0.00 178.44 179.83 1iq0 h ALA 578 N 0.87 0.36 -0.09 1.53 0.00 -0.94 0.38 119.26 121.37 1iq0 h ALA 578 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1iq0 h ALA 578 Cb 0.96 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1iq0 h ALA 578 CO 0.09 -0.02 0.02 1.15 0.00 0.00 0.00 179.25 180.48 1iq0 h THR 579 N 0.28 1.22 -0.22 0.00 2.02 -1.09 -1.99 112.91 113.12 1iq0 h THR 579 Ca 0.09 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.62 1iq0 h THR 579 Cb 0.23 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1iq0 h THR 579 CO -0.00 0.19 0.07 1.23 0.37 0.00 0.00 175.52 177.38 1iq0 h GLY 580 N -0.08 0.27 0.63 2.16 0.00 -0.99 -2.31 103.07 102.76 1iq0 h GLY 580 Ca 0.03 -0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.39 1iq0 h GLY 580 CO 0.00 0.02 0.41 1.41 0.00 0.00 0.00 176.54 178.38 1iq0 h LEU 581 N 0.17 0.59 -1.38 3.11 4.07 -0.89 -1.98 115.31 119.01 1iq0 h LEU 581 Ca 0.10 0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.10 1iq0 h LEU 581 Cb 0.07 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 1iq0 h LEU 581 CO -0.11 0.37 0.42 -0.78 -1.08 0.00 0.00 178.44 177.26 1iq0 h ASP 582 N 0.73 0.72 0.64 -0.43 3.58 -0.93 0.70 116.42 121.43 1iq0 h ASP 582 Ca 0.33 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1iq0 h ASP 582 Cb 0.24 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1iq0 h ASP 582 CO -0.20 0.52 0.00 0.18 -2.88 0.00 0.00 179.24 176.86 1iq0 n LEU 583 N -4.44 0.54 -0.98 2.28 4.77 -0.75 -1.04 117.00 117.37 1iq0 n LEU 583 Ca 0.06 0.64 0.08 0.00 -0.03 0.00 0.00 56.01 56.76 1iq0 n LEU 583 Cb 0.05 -0.57 0.24 0.00 -2.33 0.00 0.00 43.42 40.81 1iq0 n LEU 583 CO 0.36 -0.53 0.71 0.18 -1.33 0.00 0.00 177.39 176.78 1iq0 n LEU 584 N -2.10 3.74 -0.92 2.23 4.77 -0.52 -4.26 117.00 119.95 1iq0 n LEU 584 Ca 0.02 -2.45 -0.11 0.00 -0.03 0.00 0.00 56.01 53.44 1iq0 n LEU 584 Cb 0.21 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1iq0 n LEU 584 CO 0.18 0.74 -0.11 0.61 -1.33 0.00 0.00 177.39 177.47 1iq0 n GLY 585 N 0.36 1.13 3.56 -0.72 0.00 -0.21 -4.77 105.19 104.54 1iq0 n GLY 585 Ca 0.19 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1iq0 n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iq0 s ILE 586 N -2.44 4.53 0.67 -0.61 1.01 0.12 -4.87 121.20 119.61 1iq0 s ILE 586 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.40 1iq0 s ILE 586 Cb 0.00 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1iq0 s ILE 586 CO 0.00 0.43 1.07 -2.16 0.00 0.00 0.00 174.94 174.28 1iq0 s PRO 587 N 0.74 2.92 -0.59 2.79 0.04 -1.26 -3.10 135.00 136.54 1iq0 s PRO 587 Ca 0.03 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.21 1iq0 s PRO 587 Cb -0.14 -1.98 0.15 0.00 0.04 0.00 0.00 34.50 32.57 1iq0 s PRO 587 CO 0.02 -1.12 0.37 0.00 0.04 0.00 0.00 177.00 176.30 1iq0 s ALA 588 N -2.73 3.49 0.22 8.56 0.00 -1.26 -4.94 121.76 125.09 1iq0 s ALA 588 Ca 0.62 -3.34 -0.32 0.00 0.00 0.00 0.00 51.96 48.92 1iq0 s ALA 588 Cb -0.16 -2.38 -0.13 0.00 0.00 0.00 0.00 23.12 20.45 1iq0 s ALA 588 CO 0.47 -2.07 1.55 -2.30 0.00 0.00 0.00 175.76 173.42 1iq0 n PRO 589 N 3.13 2.32 0.08 0.00 -0.02 -1.26 -4.91 135.00 134.34 1iq0 n PRO 589 Ca 0.08 0.83 -0.15 0.00 -2.02 0.00 0.00 63.50 62.23 1iq0 n PRO 589 Cb 0.35 -2.58 -0.14 0.00 -0.02 0.00 0.00 33.50 31.10 1iq0 n PRO 589 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1iq0 h GLU 590 N 5.34 0.23 -5.17 -0.52 5.08 -1.93 -3.31 114.58 114.30 1iq0 h GLU 590 Ca -0.45 -0.40 -0.66 0.00 -1.00 0.00 0.00 59.36 56.85 1iq0 h GLU 590 Cb 1.25 0.15 -0.30 0.00 0.50 0.00 0.00 28.75 30.34 1iq0 h GLU 590 CO 0.84 1.12 -0.80 0.08 -1.00 0.00 0.00 179.01 179.26 1iq0 s VAL 591 N -2.64 2.68 0.00 3.13 1.01 -1.26 -4.53 120.40 118.79 1iq0 s VAL 591 Ca -0.06 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1iq0 s VAL 591 Cb 0.07 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1iq0 s VAL 591 CO 0.86 0.51 0.00 0.23 0.00 0.00 0.00 175.10 176.70