#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iy9 n GLU 3 N 0.00 2.26 -3.60 -1.46 -0.58 -1.26 -5.04 120.64 110.97 1iy9 n GLU 3 Ca 0.00 -4.35 -0.39 0.00 -0.42 0.00 0.00 57.16 52.00 1iy9 n GLU 3 Cb 0.00 -2.02 -0.11 0.00 -0.57 0.00 0.00 31.44 28.74 1iy9 n GLU 3 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1iy9 s LEU 4 N -2.51 4.18 0.02 -4.62 2.96 -1.26 -5.07 118.68 112.38 1iy9 s LEU 4 Ca 0.41 -0.31 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1iy9 s LEU 4 Cb 0.21 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1iy9 s LEU 4 CO -0.07 -0.15 -0.14 0.26 -1.32 0.00 0.00 176.35 174.93 1iy9 s TRP 5 N 1.70 1.22 -0.21 5.38 0.52 -1.26 -0.92 118.94 125.37 1iy9 s TRP 5 Ca 0.06 -0.31 -0.05 0.00 0.02 0.00 0.00 56.10 55.82 1iy9 s TRP 5 Cb -0.17 -0.74 -0.02 0.00 -1.15 0.00 0.00 33.47 31.39 1iy9 s TRP 5 CO 0.09 0.02 -0.01 -0.47 0.02 0.00 0.00 176.95 176.60 1iy9 s TYR 6 N -0.68 3.01 -0.08 -1.98 5.04 0.16 -4.93 117.35 117.89 1iy9 s TYR 6 Ca 0.03 -0.59 0.02 0.00 -2.44 0.00 0.00 57.07 54.09 1iy9 s TYR 6 Cb -0.07 -2.09 -0.02 0.00 0.35 0.00 0.00 41.96 40.13 1iy9 s TYR 6 CO 0.01 -0.33 -0.13 0.99 -1.34 0.00 0.00 175.55 174.75 1iy9 s THR 7 N 1.15 3.15 -0.25 4.34 2.01 -1.26 -0.91 115.64 123.88 1iy9 s THR 7 Ca 0.03 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1iy9 s THR 7 Cb -0.14 -2.27 0.04 0.00 0.01 0.00 0.00 72.50 70.13 1iy9 s THR 7 CO 0.01 0.57 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.72 1iy9 s GLU 8 N -0.38 2.59 -0.89 4.92 2.12 -0.21 -5.01 118.70 121.84 1iy9 s GLU 8 Ca 0.04 -1.13 -0.24 0.00 0.36 0.00 0.00 54.97 54.00 1iy9 s GLU 8 Cb -0.12 -2.91 0.05 0.00 0.26 0.00 0.00 34.13 31.40 1iy9 s GLU 8 CO 0.02 -0.46 1.34 0.15 -0.54 0.00 0.00 175.26 175.77 1iy9 s LYS 9 N 1.23 3.41 0.07 4.30 -0.14 -1.26 -2.05 119.74 125.29 1iy9 s LYS 9 Ca -0.03 -0.79 0.14 0.00 -1.36 0.00 0.00 55.97 53.94 1iy9 s LYS 9 Cb -0.18 -4.81 0.62 0.00 -1.68 0.00 0.00 37.83 31.78 1iy9 s LYS 9 CO -0.05 -2.15 1.45 1.04 -0.76 0.00 0.00 175.35 174.88 1iy9 n GLN 10 N 8.92 0.04 -3.65 1.68 6.02 -0.09 -4.67 117.38 125.63 1iy9 n GLN 10 Ca 0.19 0.34 -0.10 0.00 -0.01 0.00 0.00 57.00 57.42 1iy9 n GLN 10 Cb 0.50 -1.59 -0.04 0.00 1.02 0.00 0.00 30.24 30.13 1iy9 n GLN 10 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1iy9 s THR 11 N -3.09 0.03 0.51 5.09 2.01 -0.59 -4.97 115.64 114.63 1iy9 s THR 11 Ca 0.05 -0.59 0.29 0.00 0.31 0.00 0.00 61.69 61.75 1iy9 s THR 11 Cb 0.08 -1.36 0.33 0.00 0.01 0.00 0.00 72.50 71.55 1iy9 s THR 11 CO 0.24 -0.15 2.18 0.11 -0.69 0.00 0.00 174.62 176.31 1iy9 h LYS 12 N 2.21 0.00 -0.24 4.92 1.57 -2.01 -3.09 116.57 119.93 1iy9 h LYS 12 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1iy9 h LYS 12 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1iy9 h LYS 12 CO 0.40 0.05 0.00 0.09 -0.57 0.00 0.00 179.45 179.42 1iy9 n ASN 13 N -3.72 2.84 -3.56 0.86 3.02 -1.26 -5.02 115.26 108.41 1iy9 n ASN 13 Ca -0.02 -2.21 -0.15 0.00 -0.03 0.00 0.00 54.58 52.17 1iy9 n ASN 13 Cb 0.15 -0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 39.02 1iy9 n ASN 13 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1iy9 s PHE 14 N -1.37 -0.63 0.08 3.10 5.36 -1.17 -5.10 117.98 118.25 1iy9 s PHE 14 Ca 0.21 1.23 -0.26 0.00 -0.96 0.00 0.00 56.93 57.16 1iy9 s PHE 14 Cb 0.13 0.38 0.09 0.00 -0.34 0.00 0.00 43.02 43.28 1iy9 s PHE 14 CO 0.11 -0.49 1.17 0.20 -1.46 0.00 0.00 175.22 174.75 1iy9 s GLY 15 N -0.72 -0.03 0.20 13.12 0.00 -1.26 -0.91 107.32 117.72 1iy9 s GLY 15 Ca -0.06 -0.11 0.09 0.00 0.00 0.00 0.00 44.72 44.64 1iy9 s GLY 15 CO 0.05 3.80 -0.08 -0.26 0.00 0.00 0.00 173.10 176.62 1iy9 s ILE 16 N -2.12 3.23 -0.05 0.90 -4.36 -0.87 -4.92 121.20 112.99 1iy9 s ILE 16 Ca 0.25 -1.71 -0.01 0.00 -0.26 0.00 0.00 60.65 58.92 1iy9 s ILE 16 Cb -0.01 -2.62 0.03 0.00 1.25 0.00 0.00 42.46 41.10 1iy9 s ILE 16 CO 0.02 -0.16 0.01 0.28 0.24 0.00 0.00 174.94 175.33 1iy9 s THR 17 N -1.83 0.25 -0.11 8.37 -1.32 -1.26 -1.04 115.64 118.70 1iy9 s THR 17 Ca 0.26 0.16 -0.03 0.00 -1.21 0.00 0.00 61.69 60.87 1iy9 s THR 17 Cb -0.08 -0.41 -0.03 0.00 -1.51 0.00 0.00 72.50 70.47 1iy9 s THR 17 CO 0.16 0.22 -0.01 -0.04 -2.21 0.00 0.00 174.62 172.74 1iy9 s MET 18 N 1.75 3.20 -0.05 7.08 -1.94 -0.08 -4.95 119.30 124.31 1iy9 s MET 18 Ca 0.01 -0.43 -0.28 0.00 -1.71 0.00 0.00 55.69 53.28 1iy9 s MET 18 Cb -0.13 -2.84 -0.03 0.00 2.01 0.00 0.00 34.83 33.84 1iy9 s MET 18 CO -0.04 0.57 0.91 0.21 -0.01 0.00 0.00 175.02 176.66 1iy9 s LYS 19 N -0.50 4.48 -0.10 2.03 2.20 -1.26 -0.66 119.74 125.92 1iy9 s LYS 19 Ca 0.09 1.26 -0.02 0.00 -0.36 0.00 0.00 55.97 56.93 1iy9 s LYS 19 Cb -0.12 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 1iy9 s LYS 19 CO 0.02 -0.11 -0.01 0.08 -0.36 0.00 0.00 175.35 174.98 1iy9 s VAL 20 N 1.28 4.20 -0.09 4.02 1.01 -0.10 -1.93 120.40 128.80 1iy9 s VAL 20 Ca 0.47 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.24 1iy9 s VAL 20 Cb -0.19 -2.78 -0.24 0.00 0.00 0.00 0.00 36.38 33.17 1iy9 s VAL 20 CO 0.22 0.58 0.49 0.59 0.00 0.00 0.00 175.10 176.98 1iy9 n ASN 21 N 2.39 1.15 -3.61 3.32 3.02 0.25 -4.50 115.26 117.28 1iy9 n ASN 21 Ca -0.18 0.30 -0.02 0.00 -0.03 0.00 0.00 54.58 54.65 1iy9 n ASN 21 Cb 0.53 -0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 1iy9 n ASN 21 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1iy9 s LYS 22 N -2.57 0.19 0.05 3.52 -2.85 -1.23 -5.04 119.74 111.80 1iy9 s LYS 22 Ca -0.11 -0.08 -0.05 0.00 -1.00 0.00 0.00 55.97 54.72 1iy9 s LYS 22 Cb 0.07 0.08 -0.05 0.00 -2.06 0.00 0.00 37.83 35.87 1iy9 s LYS 22 CO 0.80 -0.08 0.29 0.95 0.10 0.00 0.00 175.35 177.41 1iy9 s THR 23 N -2.23 5.27 -0.26 3.79 -4.23 -1.26 -0.95 115.64 115.77 1iy9 s THR 23 Ca 0.12 0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.65 1iy9 s THR 23 Cb 0.01 -3.59 -0.16 0.00 1.34 0.00 0.00 72.50 70.10 1iy9 s THR 23 CO -0.04 0.26 -0.22 0.18 -0.54 0.00 0.00 174.62 174.26 1iy9 n LEU 24 N 0.76 2.53 -3.67 4.79 4.77 0.12 -4.86 117.00 121.44 1iy9 n LEU 24 Ca -0.08 0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1iy9 n LEU 24 Cb 0.52 -0.89 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 1iy9 n LEU 24 CO 0.44 0.77 0.24 -2.28 -1.33 0.00 0.00 177.39 175.24 1iy9 s HIS 25 N -2.51 -0.76 -0.08 -1.77 5.04 -0.79 -4.96 115.29 109.46 1iy9 s HIS 25 Ca -0.35 1.67 0.01 0.00 -1.54 0.00 0.00 55.06 54.84 1iy9 s HIS 25 Cb 0.11 0.36 0.02 0.00 0.04 0.00 0.00 32.58 33.11 1iy9 s HIS 25 CO 0.57 -0.38 -0.08 0.99 -2.34 0.00 0.00 174.74 173.50 1iy9 s THR 26 N 0.98 0.93 -0.27 0.89 2.01 -1.26 0.31 115.64 119.22 1iy9 s THR 26 Ca -0.05 -0.30 -0.24 0.00 0.31 0.00 0.00 61.69 61.41 1iy9 s THR 26 Cb -0.05 -0.92 0.07 0.00 0.01 0.00 0.00 72.50 71.61 1iy9 s THR 26 CO -0.09 0.33 0.72 -0.70 -0.69 0.00 0.00 174.62 174.19 1iy9 s GLU 27 N 1.19 0.83 -0.31 4.92 2.12 -0.34 -5.02 118.70 122.08 1iy9 s GLU 27 Ca -0.05 1.02 -0.16 0.00 0.36 0.00 0.00 54.97 56.14 1iy9 s GLU 27 Cb -0.14 0.39 -0.02 0.00 0.26 0.00 0.00 34.13 34.62 1iy9 s GLU 27 CO -0.02 -0.10 0.39 -1.14 -0.54 0.00 0.00 175.26 173.85 1iy9 s GLN 28 N 0.48 3.76 0.64 4.30 2.00 -1.26 -0.91 119.66 128.68 1iy9 s GLN 28 Ca -0.01 -0.19 -0.02 0.00 -2.00 0.00 0.00 55.36 53.15 1iy9 s GLN 28 Cb -0.05 -3.74 0.07 0.00 0.80 0.00 0.00 33.01 30.08 1iy9 s GLN 28 CO -0.01 -0.44 0.91 0.99 -0.50 0.00 0.00 175.29 176.24 1iy9 s THR 29 N 2.11 2.42 0.44 -0.34 2.01 0.95 -4.98 115.64 118.25 1iy9 s THR 29 Ca 0.14 -0.51 0.29 0.00 0.31 0.00 0.00 61.69 61.92 1iy9 s THR 29 Cb -0.16 -2.91 0.31 0.00 0.01 0.00 0.00 72.50 69.75 1iy9 s THR 29 CO 0.11 0.00 2.11 -0.33 -0.69 0.00 0.00 174.62 175.82 1iy9 h GLU 30 N -0.30 0.00 0.00 4.92 3.07 -2.00 -3.28 114.58 116.99 1iy9 h GLU 30 Ca -0.42 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.24 1iy9 h GLU 30 Cb 1.30 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.17 1iy9 h GLU 30 CO 0.52 0.09 -1.78 1.19 -1.40 0.00 0.00 179.01 177.64 1iy9 n PHE 31 N -3.62 0.00 -3.82 4.33 3.01 -1.26 -5.11 117.46 110.98 1iy9 n PHE 31 Ca -0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.36 1iy9 n PHE 31 Cb 0.21 -0.54 0.01 0.00 -0.01 0.00 0.00 39.48 39.16 1iy9 n PHE 31 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1iy9 s GLN 32 N -2.27 2.05 -0.44 -1.08 -2.07 -1.24 -5.09 119.66 109.53 1iy9 s GLN 32 Ca -0.14 -1.28 -0.17 0.00 -1.82 0.00 0.00 55.36 51.95 1iy9 s GLN 32 Cb 0.04 0.60 0.03 0.00 -1.09 0.00 0.00 33.01 32.59 1iy9 s GLN 32 CO 0.37 -0.96 0.45 -1.58 -1.32 0.00 0.00 175.29 172.25 1iy9 s HIS 33 N -2.65 3.16 -0.11 9.60 5.65 -1.26 -0.03 115.29 129.65 1iy9 s HIS 33 Ca 0.15 -0.45 -0.17 0.00 0.25 0.00 0.00 55.06 54.84 1iy9 s HIS 33 Cb -0.05 -2.98 -0.05 0.00 -1.18 0.00 0.00 32.58 28.32 1iy9 s HIS 33 CO 0.10 -0.75 0.43 -1.17 -0.65 0.00 0.00 174.74 172.70 1iy9 s LEU 34 N 2.14 4.30 -0.27 8.88 1.98 -0.08 -1.12 118.68 134.51 1iy9 s LEU 34 Ca 0.12 0.78 -0.03 0.00 -2.89 0.00 0.00 54.13 52.11 1iy9 s LEU 34 Cb -0.18 -2.62 0.11 0.00 0.66 0.00 0.00 46.19 44.16 1iy9 s LEU 34 CO 0.13 0.07 0.20 -1.61 -1.89 0.00 0.00 176.35 173.25 1iy9 s GLU 35 N 0.31 0.23 -0.04 1.98 2.02 -0.63 -1.20 118.70 121.39 1iy9 s GLU 35 Ca 0.24 -0.29 -0.18 0.00 0.02 0.00 0.00 54.97 54.75 1iy9 s GLU 35 Cb -0.15 -1.02 -0.05 0.00 0.10 0.00 0.00 34.13 33.01 1iy9 s GLU 35 CO 0.10 -0.97 0.51 -1.64 0.02 0.00 0.00 175.26 173.28 1iy9 s MET 36 N 2.22 4.23 0.02 1.61 -1.94 0.15 -1.32 119.30 124.27 1iy9 s MET 36 Ca 0.09 0.57 -0.00 0.00 -1.71 0.00 0.00 55.69 54.63 1iy9 s MET 36 Cb -0.15 -3.34 -0.02 0.00 2.01 0.00 0.00 34.83 33.33 1iy9 s MET 36 CO -0.32 0.39 -0.03 0.08 -0.01 0.00 0.00 175.02 175.13 1iy9 s VAL 37 N -0.18 0.13 -0.38 -6.03 1.01 -0.15 -0.71 120.40 114.09 1iy9 s VAL 37 Ca 0.28 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 1iy9 s VAL 37 Cb -0.17 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1iy9 s VAL 37 CO 0.14 -0.54 0.26 -0.70 0.00 0.00 0.00 175.10 174.26 1iy9 s GLU 38 N -1.68 3.09 0.10 2.72 2.12 -0.12 -0.33 118.70 124.60 1iy9 s GLU 38 Ca -0.14 -0.92 0.00 0.00 0.36 0.00 0.00 54.97 54.27 1iy9 s GLU 38 Cb -0.08 -3.86 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 1iy9 s GLU 38 CO -0.02 -0.65 0.26 0.95 -0.54 0.00 0.00 175.26 175.27 1iy9 s THR 39 N 1.66 5.33 0.17 -1.70 -4.23 -0.31 -0.58 115.64 115.99 1iy9 s THR 39 Ca 0.05 -0.42 0.02 0.00 -1.18 0.00 0.00 61.69 60.16 1iy9 s THR 39 Cb -0.19 -3.67 -0.14 0.00 1.34 0.00 0.00 72.50 69.85 1iy9 s THR 39 CO 0.09 0.04 1.40 -0.08 -0.54 0.00 0.00 174.62 175.54 1iy9 h GLU 40 N 2.72 0.21 0.10 3.99 4.57 -1.66 -2.46 114.58 122.05 1iy9 h GLU 40 Ca -0.46 -0.21 -0.17 0.00 -1.18 0.00 0.00 59.36 57.33 1iy9 h GLU 40 Cb 1.17 0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1iy9 h GLU 40 CO 0.73 0.93 -0.83 1.49 -1.18 0.00 0.00 179.01 180.15 1iy9 h GLU 41 N 0.12 0.20 -0.22 1.92 4.57 -1.95 -3.40 114.58 115.82 1iy9 h GLU 41 Ca -0.04 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1iy9 h GLU 41 Cb 1.45 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.17 1iy9 h GLU 41 CO 0.13 1.16 0.00 1.19 -1.18 0.00 0.00 179.01 180.31 1iy9 n PHE 42 N -4.20 0.28 -4.00 0.92 3.01 -1.26 -4.93 117.46 107.28 1iy9 n PHE 42 Ca -0.17 -0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.01 1iy9 n PHE 42 Cb 0.76 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 1iy9 n PHE 42 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iy9 n GLY 43 N 0.65 -1.11 3.74 1.37 0.00 -0.93 -1.06 105.19 107.86 1iy9 n GLY 43 Ca 0.10 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1iy9 n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iy9 s ASN 44 N -4.00 6.66 -0.02 1.61 0.01 -1.26 -1.16 114.94 116.78 1iy9 s ASN 44 Ca 0.00 2.63 0.04 0.00 -0.71 0.00 0.00 52.86 54.82 1iy9 s ASN 44 Cb 0.00 -2.62 -0.00 0.00 0.41 0.00 0.00 41.25 39.04 1iy9 s ASN 44 CO 0.00 -0.71 -0.13 -0.32 -1.51 0.00 0.00 177.10 174.43 1iy9 s MET 45 N -0.09 1.24 -0.16 -0.60 1.75 0.56 -1.26 119.30 120.73 1iy9 s MET 45 Ca 0.61 -0.47 -0.05 0.00 -1.25 0.00 0.00 55.69 54.53 1iy9 s MET 45 Cb -0.42 -1.15 -0.03 0.00 2.84 0.00 0.00 34.83 36.07 1iy9 s MET 45 CO 0.41 0.23 0.01 -1.17 -0.65 0.00 0.00 175.02 173.84 1iy9 s LEU 46 N -0.07 3.51 -0.06 4.11 2.96 -0.37 -0.98 118.68 127.79 1iy9 s LEU 46 Ca 0.00 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 1iy9 s LEU 46 Cb -0.08 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1iy9 s LEU 46 CO 0.00 0.19 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.66 1iy9 s PHE 47 N 0.28 2.54 -0.16 5.38 0.40 -0.43 -0.32 117.98 125.67 1iy9 s PHE 47 Ca -0.00 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 1iy9 s PHE 47 Cb -0.13 -1.62 0.03 0.00 0.51 0.00 0.00 43.02 41.81 1iy9 s PHE 47 CO 0.02 -0.06 -0.11 -0.51 0.70 0.00 0.00 175.22 175.26 1iy9 s LEU 48 N -0.37 1.81 -1.34 -0.37 1.43 0.05 -1.60 118.68 118.28 1iy9 s LEU 48 Ca 0.03 -0.62 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 1iy9 s LEU 48 Cb -0.12 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 44.99 1iy9 s LEU 48 CO 0.02 -0.11 1.03 0.47 0.23 0.00 0.00 176.35 177.99 1iy9 n ASP 49 N 4.78 -4.23 0.00 2.29 8.00 -0.27 -1.97 116.55 125.15 1iy9 n ASP 49 Ca -0.15 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1iy9 n ASP 49 Cb 0.49 -4.71 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 1iy9 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iy9 n GLY 50 N -1.66 1.26 3.57 0.44 0.00 -1.26 -5.01 105.19 102.53 1iy9 n GLY 50 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1iy9 n GLY 50 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iy9 s MET 51 N -0.14 2.77 0.15 1.61 -1.94 -0.83 -4.76 119.30 116.16 1iy9 s MET 51 Ca 0.00 -0.55 -0.31 0.00 -1.71 0.00 0.00 55.69 53.11 1iy9 s MET 51 Cb 0.00 -2.59 -0.11 0.00 2.01 0.00 0.00 34.83 34.14 1iy9 s MET 51 CO 0.00 0.65 1.72 0.08 -0.01 0.00 0.00 175.02 177.45 1iy9 s VAL 52 N -0.76 2.45 -0.18 -6.03 1.01 -1.26 -0.77 120.40 114.85 1iy9 s VAL 52 Ca 0.12 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 1iy9 s VAL 52 Cb -0.11 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 1iy9 s VAL 52 CO 0.01 0.01 -0.35 0.80 0.00 0.00 0.00 175.10 175.58 1iy9 n MET 53 N 4.75 0.53 -3.96 2.72 0.00 0.56 -4.90 117.12 116.82 1iy9 n MET 53 Ca 0.16 0.22 -0.09 0.00 0.00 0.00 0.00 57.70 57.98 1iy9 n MET 53 Cb 0.37 -1.43 -0.04 0.00 0.00 0.00 0.00 33.22 32.13 1iy9 n MET 53 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1iy9 s THR 54 N -2.89 0.00 0.07 1.12 -4.23 -1.22 -5.01 115.64 103.48 1iy9 s THR 54 Ca -0.29 -1.30 -0.11 0.00 -1.18 0.00 0.00 61.69 58.82 1iy9 s THR 54 Cb 0.04 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.60 1iy9 s THR 54 CO 0.42 0.00 0.24 -0.94 -0.54 0.00 0.00 174.62 173.80 1iy9 s SER 55 N -3.03 0.01 0.26 3.99 1.04 -1.26 -1.23 113.70 113.48 1iy9 s SER 55 Ca 0.20 -0.43 -0.05 0.00 0.48 0.00 0.00 55.95 56.15 1iy9 s SER 55 Cb -0.02 0.34 0.32 0.00 0.10 0.00 0.00 66.02 66.76 1iy9 s SER 55 CO 0.10 -0.66 1.93 -0.33 0.98 0.00 0.00 173.24 175.25 1iy9 h GLU 56 N 3.02 1.22 -0.41 4.02 5.08 -0.97 -2.34 114.58 124.22 1iy9 h GLU 56 Ca -0.33 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 57.84 1iy9 h GLU 56 Cb 1.20 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1iy9 h GLU 56 CO 0.51 0.83 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.97 1iy9 h LYS 57 N 1.25 0.83 -0.07 2.33 3.64 -1.39 -3.36 116.57 119.80 1iy9 h LYS 57 Ca 0.33 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1iy9 h LYS 57 Cb -0.11 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1iy9 h LYS 57 CO -0.07 0.98 0.00 -0.40 -2.27 0.00 0.00 179.45 177.69 1iy9 n ASP 58 N -4.26 2.13 -0.01 4.20 5.75 -1.21 -4.72 116.55 118.43 1iy9 n ASP 58 Ca -0.01 -1.94 0.16 0.00 -0.01 0.00 0.00 54.79 52.99 1iy9 n ASP 58 Cb 0.41 -0.05 0.60 0.00 -1.03 0.00 0.00 41.12 41.05 1iy9 n ASP 58 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1iy9 h GLU 59 N 0.45 0.17 -0.63 0.11 -0.00 -1.58 -2.95 114.58 110.16 1iy9 h GLU 59 Ca 0.00 -0.01 0.11 0.00 -0.00 0.00 0.00 59.36 59.46 1iy9 h GLU 59 Cb 0.52 -0.04 -0.04 0.00 -0.00 0.00 0.00 28.75 29.19 1iy9 h GLU 59 CO 0.00 0.11 0.42 0.27 -0.00 0.00 0.00 179.01 179.81 1iy9 h PHE 60 N 0.17 0.42 0.83 2.06 -5.15 -1.86 -2.82 116.94 110.58 1iy9 h PHE 60 Ca 0.24 0.01 -0.04 0.00 -0.20 0.00 0.00 57.97 57.98 1iy9 h PHE 60 Cb 0.72 -0.14 0.01 0.00 0.22 0.00 0.00 35.95 36.76 1iy9 h PHE 60 CO -0.00 0.19 -0.40 0.28 -2.00 0.00 0.00 178.31 176.38 1iy9 h VAL 61 N 0.39 0.17 -0.21 0.88 2.07 -1.87 -0.48 116.25 117.20 1iy9 h VAL 61 Ca 0.29 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.80 1iy9 h VAL 61 Cb 0.63 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1iy9 h VAL 61 CO -0.08 0.00 0.08 0.22 0.02 0.00 0.00 177.57 177.82 1iy9 h TYR 62 N -1.14 0.16 -0.37 1.57 3.20 -1.76 -0.86 116.97 117.76 1iy9 h TYR 62 Ca -0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1iy9 h TYR 62 Cb 0.85 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1iy9 h TYR 62 CO -0.01 0.08 0.20 0.45 -1.64 0.00 0.00 178.16 177.24 1iy9 h HIS 63 N 0.19 0.52 -0.31 -3.82 3.86 -1.51 -1.48 115.15 112.60 1iy9 h HIS 63 Ca 0.09 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.20 1iy9 h HIS 63 Cb 0.05 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1iy9 h HIS 63 CO -0.11 0.40 -0.13 0.93 0.86 0.00 0.00 177.93 179.88 1iy9 h GLU 64 N 0.48 0.64 0.00 2.45 5.08 -0.94 -2.75 114.58 119.54 1iy9 h GLU 64 Ca 0.13 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 1iy9 h GLU 64 Cb 0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1iy9 h GLU 64 CO -0.02 0.86 -0.59 0.52 -1.00 0.00 0.00 179.01 178.78 1iy9 h MET 65 N 0.40 0.00 -0.08 2.33 2.86 -1.10 0.17 114.93 119.52 1iy9 h MET 65 Ca 0.07 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.48 1iy9 h MET 65 Cb 0.65 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.32 1iy9 h MET 65 CO 0.04 0.59 -0.87 0.28 1.06 0.00 0.00 176.91 178.01 1iy9 h VAL 66 N 0.00 1.31 0.00 -2.22 2.07 -1.34 -3.30 116.25 112.77 1iy9 h VAL 66 Ca -0.01 -2.15 -0.01 0.00 0.82 0.00 0.00 66.70 65.35 1iy9 h VAL 66 Cb 1.12 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1iy9 h VAL 66 CO 0.08 0.66 -0.14 0.00 0.02 0.00 0.00 177.57 178.19 1iy9 h ALA 67 N 0.61 0.01 -0.11 1.67 0.00 -1.41 -3.40 119.26 116.63 1iy9 h ALA 67 Ca -0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1iy9 h ALA 67 Cb 1.50 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1iy9 h ALA 67 CO 0.17 0.12 -0.19 0.45 0.00 0.00 0.00 179.25 179.79 1iy9 h HIS 68 N -1.00 0.20 -0.01 0.00 -0.00 -1.15 -2.43 115.15 110.75 1iy9 h HIS 68 Ca -0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1iy9 h HIS 68 Cb 0.31 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1iy9 h HIS 68 CO 0.02 0.38 0.00 0.28 -0.00 0.00 0.00 177.93 178.61 1iy9 h VAL 69 N 0.18 1.19 -0.04 2.45 2.07 -1.74 -1.90 116.25 118.46 1iy9 h VAL 69 Ca 0.03 -0.56 -0.17 0.00 0.82 0.00 0.00 66.70 66.82 1iy9 h VAL 69 Cb 0.45 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1iy9 h VAL 69 CO 0.03 0.15 -0.73 1.55 0.02 0.00 0.00 177.57 178.59 1iy9 h PRO 70 N -0.22 0.26 -0.50 1.57 0.13 -1.76 -2.45 132.00 129.03 1iy9 h PRO 70 Ca 0.00 -0.22 -0.05 0.00 -0.87 0.00 0.00 66.00 64.86 1iy9 h PRO 70 Cb 0.24 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.40 1iy9 h PRO 70 CO 0.00 0.88 0.11 -0.07 -0.23 0.00 0.00 178.00 178.69 1iy9 h LEU 71 N 0.17 0.77 -0.62 1.56 3.38 -1.44 -2.06 115.31 117.07 1iy9 h LEU 71 Ca -0.03 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1iy9 h LEU 71 Cb 1.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1iy9 h LEU 71 CO 0.11 0.81 -0.27 -0.26 0.09 0.00 0.00 178.44 178.92 1iy9 h PHE 72 N 0.69 0.00 -0.19 1.13 -1.00 -1.38 -2.91 116.94 113.27 1iy9 h PHE 72 Ca 0.16 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.83 1iy9 h PHE 72 Cb 0.35 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 1iy9 h PHE 72 CO 0.02 0.27 -0.35 1.15 -1.61 0.00 0.00 178.31 177.79 1iy9 h THR 73 N 0.00 1.29 -3.40 -1.55 2.02 -1.21 -3.42 112.91 106.64 1iy9 h THR 73 Ca -0.00 -1.44 -0.54 0.00 0.77 0.00 0.00 66.41 65.19 1iy9 h THR 73 Cb 0.97 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 1iy9 h THR 73 CO 0.03 0.45 0.33 -2.28 0.37 0.00 0.00 175.52 174.42 1iy9 s HIS 74 N -4.30 3.65 0.54 3.16 5.65 -0.79 -4.75 115.29 118.45 1iy9 s HIS 74 Ca -0.06 1.64 0.26 0.00 0.25 0.00 0.00 55.06 57.14 1iy9 s HIS 74 Cb 0.13 -3.08 1.61 0.00 -1.18 0.00 0.00 32.58 30.06 1iy9 s HIS 74 CO 0.79 0.00 2.19 -1.00 -0.65 0.00 0.00 174.74 176.08 1iy9 h PRO 75 N 6.80 0.00 -0.69 2.88 0.13 -1.82 -3.39 132.00 135.91 1iy9 h PRO 75 Ca -0.41 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.64 1iy9 h PRO 75 Cb 1.22 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 1iy9 h PRO 75 CO 0.75 0.03 -0.35 1.21 -0.23 0.00 0.00 178.00 179.41 1iy9 s ASN 76 N -6.40 -1.00 0.13 1.44 3.04 -1.26 -5.12 114.94 105.77 1iy9 s ASN 76 Ca -0.05 -1.15 -0.30 0.00 0.04 0.00 0.00 52.86 51.40 1iy9 s ASN 76 Cb 0.15 1.31 -0.07 0.00 -1.54 0.00 0.00 41.25 41.10 1iy9 s ASN 76 CO 0.59 -0.04 1.26 -2.84 -3.04 0.00 0.00 177.10 173.02 1iy9 s PRO 77 N 0.98 4.42 0.00 0.43 0.02 -1.26 -4.92 135.00 134.67 1iy9 s PRO 77 Ca 0.27 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.20 1iy9 s PRO 77 Cb 0.05 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1iy9 s PRO 77 CO -0.07 -0.24 0.00 0.39 -0.33 0.00 0.00 177.00 176.75 1iy9 n GLU 78 N 3.29 1.61 -3.96 5.54 1.02 -1.26 -2.89 120.64 123.99 1iy9 n GLU 78 Ca 0.08 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.92 1iy9 n GLU 78 Cb 0.44 -0.82 -0.16 0.00 -0.02 0.00 0.00 31.44 30.89 1iy9 n GLU 78 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1iy9 s HIS 79 N -1.64 2.29 0.03 -0.32 3.76 -1.26 -0.23 115.29 117.92 1iy9 s HIS 79 Ca 0.00 -1.57 0.08 0.00 -0.15 0.00 0.00 55.06 53.43 1iy9 s HIS 79 Cb 0.00 -1.56 -0.03 0.00 1.11 0.00 0.00 32.58 32.10 1iy9 s HIS 79 CO 0.00 -0.73 -0.24 0.08 -0.85 0.00 0.00 174.74 173.00 1iy9 s VAL 80 N 1.44 1.92 -0.05 -0.90 1.01 -0.90 -0.28 120.40 122.64 1iy9 s VAL 80 Ca -0.03 -1.24 0.05 0.00 0.00 0.00 0.00 61.98 60.77 1iy9 s VAL 80 Cb -0.17 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1iy9 s VAL 80 CO -0.07 0.35 -0.21 -0.22 0.00 0.00 0.00 175.10 174.95 1iy9 s LEU 81 N -1.06 1.99 -0.20 3.92 2.96 -0.42 -0.83 118.68 125.04 1iy9 s LEU 81 Ca 0.10 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1iy9 s LEU 81 Cb -0.09 -1.17 0.02 0.00 0.50 0.00 0.00 46.19 45.45 1iy9 s LEU 81 CO 0.01 0.19 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.38 1iy9 s VAL 82 N -0.01 2.21 -0.25 1.68 1.01 0.10 -0.40 120.40 124.74 1iy9 s VAL 82 Ca -0.05 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 1iy9 s VAL 82 Cb -0.13 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1iy9 s VAL 82 CO 0.03 0.42 0.10 -0.69 0.00 0.00 0.00 175.10 174.96 1iy9 s VAL 83 N 1.27 4.59 0.00 2.92 1.01 -0.39 -0.95 120.40 128.85 1iy9 s VAL 83 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1iy9 s VAL 83 Cb -0.14 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1iy9 s VAL 83 CO -0.11 0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1iy9 n GLY 84 N 4.88 0.49 2.88 4.51 0.00 0.45 -2.24 105.19 116.16 1iy9 n GLY 84 Ca -0.16 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 1iy9 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iy9 n GLY 85 N -2.82 5.60 0.33 -0.02 0.00 -1.26 -4.80 105.19 102.21 1iy9 n GLY 85 Ca 0.00 -2.50 0.22 0.00 0.00 0.00 0.00 46.02 43.73 1iy9 n GLY 85 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iy9 h GLY 86 N 3.08 1.88 2.00 -0.02 0.00 -1.93 0.22 103.07 108.30 1iy9 h GLY 86 Ca 0.55 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1iy9 h GLY 86 CO 1.39 -0.51 0.00 2.09 0.00 0.00 0.00 176.54 179.50 1iy9 n ASP 87 N -5.16 0.33 -0.05 0.19 5.68 -1.26 -3.97 116.55 112.31 1iy9 n ASP 87 Ca 0.30 0.60 -0.01 0.00 -0.50 0.00 0.00 54.79 55.18 1iy9 n ASP 87 Cb 0.94 -0.66 -0.00 0.00 -1.14 0.00 0.00 41.12 40.26 1iy9 n ASP 87 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iy9 n GLY 88 N -0.30 0.35 0.26 6.12 0.00 0.78 -2.84 105.19 109.56 1iy9 n GLY 88 Ca 0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1iy9 n GLY 88 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iy9 h GLY 89 N 0.00 0.93 1.21 -0.02 0.00 -1.77 -0.72 103.07 102.70 1iy9 h GLY 89 Ca -0.01 -0.93 -0.14 0.00 0.00 0.00 0.00 47.33 46.25 1iy9 h GLY 89 CO 0.02 0.84 -0.30 -2.08 0.00 0.00 0.00 176.54 175.02 1iy9 h VAL 90 N 0.70 1.27 -0.37 4.60 2.07 -1.88 -2.88 116.25 119.77 1iy9 h VAL 90 Ca 0.06 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.13 1iy9 h VAL 90 Cb 0.95 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1iy9 h VAL 90 CO 0.09 0.49 0.23 0.40 0.02 0.00 0.00 177.57 178.80 1iy9 h ILE 91 N 0.74 1.07 -0.96 4.57 1.08 -1.86 0.50 117.51 122.66 1iy9 h ILE 91 Ca 0.08 -0.16 0.19 0.00 -0.39 0.00 0.00 64.86 64.57 1iy9 h ILE 91 Cb 0.86 0.56 -0.09 0.00 -3.07 0.00 0.00 36.82 35.08 1iy9 h ILE 91 CO 0.08 0.09 0.61 -0.09 -0.69 0.00 0.00 178.15 178.14 1iy9 h ARG 92 N 0.47 0.63 0.12 2.37 1.12 -0.99 -1.45 114.38 116.65 1iy9 h ARG 92 Ca 0.14 -0.04 -0.29 0.00 -1.11 0.00 0.00 59.98 58.68 1iy9 h ARG 92 Cb -0.03 -0.14 0.02 0.00 -0.01 0.00 0.00 29.97 29.81 1iy9 h ARG 92 CO -0.05 0.42 -1.22 0.93 -3.11 0.00 0.00 179.97 176.94 1iy9 h GLU 93 N 0.65 0.53 -0.91 0.20 4.39 -1.08 -3.28 114.58 115.08 1iy9 h GLU 93 Ca 0.52 -0.73 0.05 0.00 0.34 0.00 0.00 59.36 59.55 1iy9 h GLU 93 Cb 0.95 0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 29.79 1iy9 h GLU 93 CO -0.28 1.32 0.59 0.82 -1.16 0.00 0.00 179.01 180.30 1iy9 h ILE 94 N 0.23 1.10 0.00 3.13 2.04 0.07 -1.87 117.51 122.21 1iy9 h ILE 94 Ca -0.17 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1iy9 h ILE 94 Cb 1.90 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1iy9 h ILE 94 CO 0.23 0.20 0.00 0.18 0.00 0.00 0.00 178.15 178.75 1iy9 n LEU 95 N -4.47 0.17 0.00 1.44 4.77 -0.72 -1.81 117.00 116.38 1iy9 n LEU 95 Ca 0.13 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.80 1iy9 n LEU 95 Cb 0.16 -0.55 0.67 0.00 -2.33 0.00 0.00 43.42 41.37 1iy9 n LEU 95 CO 0.34 -0.45 0.96 0.29 -1.33 0.00 0.00 177.39 177.20 1iy9 n LYS 96 N -1.70 0.30 -3.51 3.23 5.02 -0.70 -4.60 118.16 116.19 1iy9 n LYS 96 Ca 0.02 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 1iy9 n LYS 96 Cb 0.12 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.52 1iy9 n LYS 96 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1iy9 s HIS 97 N -2.68 3.24 0.40 2.13 3.76 -0.75 -4.98 115.29 116.42 1iy9 s HIS 97 Ca 0.23 -0.74 0.10 0.00 -0.15 0.00 0.00 55.06 54.49 1iy9 s HIS 97 Cb 0.18 -2.56 0.88 0.00 1.11 0.00 0.00 32.58 32.20 1iy9 s HIS 97 CO 0.44 -0.62 1.97 -1.35 -0.85 0.00 0.00 174.74 174.33 1iy9 h PRO 98 N 8.56 0.56 0.00 8.40 0.11 -1.87 -2.18 132.00 145.59 1iy9 h PRO 98 Ca -0.26 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1iy9 h PRO 98 Cb 1.11 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1iy9 h PRO 98 CO 0.71 0.37 -0.00 0.66 -0.21 0.00 0.00 178.00 179.53 1iy9 h SER 99 N 0.58 0.00 -3.07 -2.05 4.64 -1.94 -3.41 113.55 108.30 1iy9 h SER 99 Ca 0.29 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.04 1iy9 h SER 99 Cb 0.37 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 1iy9 h SER 99 CO -0.09 0.00 1.03 -0.69 -0.87 0.00 0.00 176.83 176.21 1iy9 s VAL 100 N -4.28 3.99 -0.02 0.95 1.01 -0.82 -4.14 120.40 117.09 1iy9 s VAL 100 Ca -0.05 1.10 -0.20 0.00 0.00 0.00 0.00 61.98 62.84 1iy9 s VAL 100 Cb 0.14 -4.05 -0.33 0.00 0.00 0.00 0.00 36.38 32.13 1iy9 s VAL 100 CO 0.45 -0.48 0.92 0.11 0.00 0.00 0.00 175.10 176.10 1iy9 h LYS 101 N 9.89 0.38 -2.67 2.72 1.79 -0.85 -3.47 116.57 124.36 1iy9 h LYS 101 Ca -0.28 -0.65 -0.12 0.00 -2.18 0.00 0.00 60.65 57.42 1iy9 h LYS 101 Cb 1.11 0.24 -0.26 0.00 -1.58 0.00 0.00 32.23 31.75 1iy9 h LYS 101 CO 1.03 1.31 -0.27 0.21 -1.08 0.00 0.00 179.45 180.65 1iy9 s LYS 102 N -2.49 0.42 -0.22 3.15 2.20 -0.94 -4.78 119.74 117.08 1iy9 s LYS 102 Ca -0.12 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1iy9 s LYS 102 Cb 0.02 0.06 0.03 0.00 -1.51 0.00 0.00 37.83 36.43 1iy9 s LYS 102 CO 0.87 -0.13 -0.12 0.00 -0.36 0.00 0.00 175.35 175.61 1iy9 s ALA 103 N 1.02 2.54 -0.09 3.13 0.00 -0.17 -2.11 121.76 126.08 1iy9 s ALA 103 Ca -0.06 -1.43 -0.13 0.00 0.00 0.00 0.00 51.96 50.34 1iy9 s ALA 103 Cb -0.07 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.52 1iy9 s ALA 103 CO -0.08 -0.71 0.30 0.99 0.00 0.00 0.00 175.76 176.25 1iy9 s THR 104 N 1.27 5.24 -0.15 0.00 2.01 -0.01 -1.50 115.64 122.50 1iy9 s THR 104 Ca 0.00 0.59 0.02 0.00 0.31 0.00 0.00 61.69 62.61 1iy9 s THR 104 Cb -0.16 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.75 1iy9 s THR 104 CO -0.08 0.52 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.95 1iy9 s LEU 105 N -0.51 2.19 -0.13 4.42 2.96 -0.38 -0.72 118.68 126.51 1iy9 s LEU 105 Ca 0.19 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1iy9 s LEU 105 Cb -0.14 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 45.09 1iy9 s LEU 105 CO 0.08 0.07 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.33 1iy9 s VAL 106 N 0.91 1.60 -0.06 1.68 1.01 -0.13 -0.51 120.40 124.91 1iy9 s VAL 106 Ca -0.04 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1iy9 s VAL 106 Cb -0.15 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.78 1iy9 s VAL 106 CO -0.04 0.46 0.13 -0.62 0.00 0.00 0.00 175.10 175.04 1iy9 s ASP 107 N 1.21 -0.11 0.31 3.32 -1.08 -0.88 -0.41 116.67 119.02 1iy9 s ASP 107 Ca -0.01 0.27 0.05 0.00 -0.52 0.00 0.00 52.55 52.34 1iy9 s ASP 107 Cb -0.14 0.21 0.52 0.00 -1.46 0.00 0.00 42.92 42.05 1iy9 s ASP 107 CO -0.06 -0.10 1.78 0.16 0.52 0.00 0.00 175.17 177.47 1iy9 h ILE 108 N 5.57 1.25 -3.29 4.11 3.07 -1.66 -1.83 117.51 124.72 1iy9 h ILE 108 Ca -0.35 -1.15 -0.72 0.00 1.55 0.00 0.00 64.86 64.19 1iy9 h ILE 108 Cb 1.17 1.33 -0.21 0.00 -0.27 0.00 0.00 36.82 38.84 1iy9 h ILE 108 CO 0.43 0.36 -0.22 -0.62 -1.05 0.00 0.00 178.15 177.05 1iy9 s ASP 109 N -6.83 6.17 0.53 2.16 -1.08 -1.26 -4.60 116.67 111.76 1iy9 s ASP 109 Ca -0.06 -1.19 0.31 0.00 -0.52 0.00 0.00 52.55 51.09 1iy9 s ASP 109 Cb 0.14 -2.22 1.21 0.00 -1.46 0.00 0.00 42.92 40.60 1iy9 s ASP 109 CO 0.77 -0.72 1.93 1.23 0.52 0.00 0.00 175.17 178.90 1iy9 h GLY 110 N 9.04 0.00 2.00 2.66 0.00 -1.96 -2.63 103.07 112.18 1iy9 h GLY 110 Ca -0.28 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1iy9 h GLY 110 CO 0.90 0.00 -0.22 0.50 0.00 0.00 0.00 176.54 177.72 1iy9 h LYS 111 N 0.00 0.00 -0.23 4.80 1.57 -1.98 -0.91 116.57 119.82 1iy9 h LYS 111 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1iy9 h LYS 111 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1iy9 h LYS 111 CO 0.00 0.22 -0.30 0.28 -0.57 0.00 0.00 179.45 179.09 1iy9 h VAL 112 N 0.00 1.32 -0.45 0.50 2.07 -1.84 -1.71 116.25 116.15 1iy9 h VAL 112 Ca -0.00 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 1iy9 h VAL 112 Cb 0.85 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1iy9 h VAL 112 CO 0.03 0.46 0.20 0.40 0.02 0.00 0.00 177.57 178.68 1iy9 h ILE 113 N 0.31 1.19 0.10 4.57 2.04 -1.54 -1.09 117.51 123.10 1iy9 h ILE 113 Ca 0.03 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1iy9 h ILE 113 Cb 0.87 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1iy9 h ILE 113 CO 0.07 0.22 -0.05 -0.08 0.00 0.00 0.00 178.15 178.31 1iy9 h GLU 114 N 0.58 -0.13 0.00 2.37 4.81 -1.07 -1.26 114.58 119.89 1iy9 h GLU 114 Ca 0.15 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1iy9 h GLU 114 Cb 0.15 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1iy9 h GLU 114 CO -0.02 -0.08 -0.13 1.88 -0.73 0.00 0.00 179.01 179.93 1iy9 h TYR 115 N -0.13 0.00 -0.11 0.92 -1.99 -1.27 -2.47 116.97 111.91 1iy9 h TYR 115 Ca -0.01 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.52 1iy9 h TYR 115 Cb 0.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.83 1iy9 h TYR 115 CO -0.07 0.13 -0.73 0.77 -0.00 0.00 0.00 178.16 178.26 1iy9 h SER 116 N 0.00 0.65 -0.57 3.88 0.02 -0.99 0.16 113.55 116.70 1iy9 h SER 116 Ca -0.00 -0.42 -0.07 0.00 -0.84 0.00 0.00 61.79 60.46 1iy9 h SER 116 Cb 0.93 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1iy9 h SER 116 CO 0.02 1.18 0.09 0.11 -1.14 0.00 0.00 176.83 177.08 1iy9 h LYS 117 N 0.38 0.99 0.01 3.45 1.57 -1.07 0.18 116.57 122.08 1iy9 h LYS 117 Ca -0.03 -0.25 -0.25 0.00 -1.87 0.00 0.00 60.65 58.24 1iy9 h LYS 117 Cb 1.32 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 33.53 1iy9 h LYS 117 CO 0.14 0.92 -0.98 -0.22 -0.57 0.00 0.00 179.45 178.73 1iy9 h LYS 118 N 0.93 0.65 0.00 3.15 3.64 -1.26 -3.34 116.57 120.34 1iy9 h LYS 118 Ca 0.19 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1iy9 h LYS 118 Cb 0.42 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1iy9 h LYS 118 CO 0.01 1.30 -0.82 1.19 -2.27 0.00 0.00 179.45 178.86 1iy9 n PHE 119 N -3.92 0.00 -2.83 1.91 3.01 0.53 -4.63 117.46 111.54 1iy9 n PHE 119 Ca -0.11 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.11 1iy9 n PHE 119 Cb 0.86 -0.08 -0.02 0.00 -0.01 0.00 0.00 39.48 40.22 1iy9 n PHE 119 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1iy9 n LEU 120 N -1.45 3.74 -0.12 4.37 4.77 0.63 -4.87 117.00 124.07 1iy9 n LEU 120 Ca 0.00 -5.29 0.04 0.00 -0.03 0.00 0.00 56.01 50.74 1iy9 n LEU 120 Cb 0.18 -0.25 0.36 0.00 -2.33 0.00 0.00 43.42 41.37 1iy9 n LEU 120 CO 0.19 2.25 1.20 1.55 -1.33 0.00 0.00 177.39 181.25 1iy9 h PRO 121 N 2.88 0.71 0.00 3.23 0.13 -1.67 0.14 132.00 137.42 1iy9 h PRO 121 Ca 0.15 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1iy9 h PRO 121 Cb 0.74 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1iy9 h PRO 121 CO 0.75 0.47 0.00 -1.13 -0.23 0.00 0.00 178.00 177.87 1iy9 n SER 122 N -4.46 0.06 -0.06 1.44 3.41 -1.26 -0.39 113.62 112.36 1iy9 n SER 122 Ca 0.07 0.52 -0.09 0.00 -0.26 0.00 0.00 58.87 59.10 1iy9 n SER 122 Cb 0.12 -0.53 -0.05 0.00 -0.26 0.00 0.00 64.21 63.49 1iy9 n SER 122 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1iy9 n ILE 123 N -1.57 0.65 1.16 -1.33 5.41 -0.24 -4.74 119.36 118.72 1iy9 n ILE 123 Ca 0.02 -0.22 0.12 0.00 1.00 0.00 0.00 62.75 63.68 1iy9 n ILE 123 Cb 0.13 -1.14 0.23 0.00 -0.71 0.00 0.00 39.64 38.15 1iy9 n ILE 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iy9 n ALA 124 N -3.05 2.72 0.01 -1.39 0.00 0.33 -3.37 120.51 115.76 1iy9 n ALA 124 Ca -0.21 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1iy9 n ALA 124 Cb 0.70 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1iy9 n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iy9 n GLY 125 N 1.31 -0.46 0.75 0.00 0.00 0.47 -2.35 105.19 104.91 1iy9 n GLY 125 Ca 0.15 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 1iy9 n GLY 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iy9 n LYS 126 N -1.46 1.71 0.19 1.61 4.76 -1.26 -4.43 118.16 119.28 1iy9 n LYS 126 Ca 0.00 -1.59 0.14 0.00 -2.87 0.00 0.00 58.31 53.99 1iy9 n LYS 126 Cb 0.00 -1.38 0.65 0.00 -1.84 0.00 0.00 35.03 32.46 1iy9 n LYS 126 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1iy9 h LEU 127 N 3.67 0.00 -0.87 -0.35 3.38 -1.80 -1.93 115.31 117.41 1iy9 h LEU 127 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iy9 h LEU 127 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1iy9 h LEU 127 CO 0.00 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.63 1iy9 n ASP 128 N -2.51 1.32 -4.77 -0.43 5.68 -1.26 -4.81 116.55 109.78 1iy9 n ASP 128 Ca 0.00 -1.53 -0.40 0.00 -0.50 0.00 0.00 54.79 52.36 1iy9 n ASP 128 Cb 0.17 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.08 1iy9 n ASP 128 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1iy9 s ASP 129 N -1.80 6.80 0.50 -1.12 -1.08 -0.73 -4.95 116.67 114.30 1iy9 s ASP 129 Ca 0.36 2.45 0.17 0.00 -0.52 0.00 0.00 52.55 55.01 1iy9 s ASP 129 Cb 0.19 -2.63 1.23 0.00 -1.46 0.00 0.00 42.92 40.25 1iy9 s ASP 129 CO 0.30 -0.49 2.09 1.55 0.52 0.00 0.00 175.17 179.14 1iy9 h PRO 130 N 3.21 0.09 0.00 4.34 0.13 -1.91 -1.70 132.00 136.16 1iy9 h PRO 130 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1iy9 h PRO 130 Cb 1.23 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1iy9 h PRO 130 CO 0.65 0.06 0.00 0.54 -0.23 0.00 0.00 178.00 179.02 1iy9 n ARG 131 N -4.49 0.02 -3.94 0.86 1.74 -1.26 -4.81 116.66 104.78 1iy9 n ARG 131 Ca 0.02 0.12 -0.36 0.00 -0.77 0.00 0.00 57.85 56.86 1iy9 n ARG 131 Cb 0.22 -1.53 -0.06 0.00 -1.02 0.00 0.00 32.46 30.07 1iy9 n ARG 131 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1iy9 s VAL 132 N -3.02 5.34 -0.31 1.55 1.01 -0.64 -1.00 120.40 123.33 1iy9 s VAL 132 Ca 0.11 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1iy9 s VAL 132 Cb 0.15 -3.36 0.09 0.00 0.00 0.00 0.00 36.38 33.26 1iy9 s VAL 132 CO 0.43 0.55 0.06 -0.62 0.00 0.00 0.00 175.10 175.52 1iy9 s ASP 133 N -1.22 4.30 -0.18 3.32 2.15 -0.56 -4.84 116.67 119.63 1iy9 s ASP 133 Ca 0.18 -1.79 -0.19 0.00 0.43 0.00 0.00 52.55 51.17 1iy9 s ASP 133 Cb -0.12 -1.21 -0.03 0.00 -0.30 0.00 0.00 42.92 41.26 1iy9 s ASP 133 CO 0.07 -0.38 0.55 -0.69 -0.17 0.00 0.00 175.17 174.55 1iy9 s VAL 134 N 1.31 5.09 -0.10 1.11 1.01 -1.26 -1.25 120.40 126.30 1iy9 s VAL 134 Ca 0.08 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.12 1iy9 s VAL 134 Cb -0.18 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.34 1iy9 s VAL 134 CO -0.16 0.18 -0.13 -1.10 0.00 0.00 0.00 175.10 173.89 1iy9 s GLN 135 N 1.54 1.96 -0.75 2.72 -0.21 0.33 -4.97 119.66 120.28 1iy9 s GLN 135 Ca 0.26 -0.46 -0.19 0.00 0.02 0.00 0.00 55.36 54.99 1iy9 s GLN 135 Cb -0.16 -1.74 0.11 0.00 1.00 0.00 0.00 33.01 32.23 1iy9 s GLN 135 CO 0.10 -0.11 0.93 0.08 -2.12 0.00 0.00 175.29 174.17 1iy9 s VAL 136 N 1.14 4.72 0.30 1.09 1.01 -1.26 -2.08 120.40 125.32 1iy9 s VAL 136 Ca -0.04 -1.16 -0.19 0.00 0.00 0.00 0.00 61.98 60.59 1iy9 s VAL 136 Cb -0.14 -4.64 0.03 0.00 0.00 0.00 0.00 36.38 31.62 1iy9 s VAL 136 CO -0.03 -1.34 0.72 -0.62 0.00 0.00 0.00 175.10 173.83 1iy9 s ASP 137 N 3.52 -0.17 0.00 3.32 2.15 -0.69 -4.91 116.67 119.90 1iy9 s ASP 137 Ca 0.22 -0.77 0.00 0.00 0.43 0.00 0.00 52.55 52.43 1iy9 s ASP 137 Cb -0.14 0.75 0.00 0.00 -0.30 0.00 0.00 42.92 43.23 1iy9 s ASP 137 CO 0.00 -1.42 0.89 -0.67 -0.17 0.00 0.00 175.17 173.80 1iy9 n ASP 138 N -0.70 0.00 0.00 -0.34 -0.08 -1.26 -2.48 116.55 111.69 1iy9 n ASP 138 Ca -0.05 0.89 0.00 0.00 -1.51 0.00 0.00 54.79 54.12 1iy9 n ASP 138 Cb 0.59 -0.40 0.00 0.00 2.34 0.00 0.00 41.12 43.65 1iy9 n ASP 138 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1iy9 n GLY 139 N -1.00 2.97 0.24 0.27 0.00 -1.26 -4.27 105.19 102.14 1iy9 n GLY 139 Ca 0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 1iy9 n GLY 139 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1iy9 h PHE 140 N 0.00 1.08 -0.62 1.61 -1.00 -1.92 -0.01 116.94 116.08 1iy9 h PHE 140 Ca 0.00 -0.42 -0.06 0.00 2.81 0.00 0.00 57.97 60.30 1iy9 h PHE 140 Cb 0.00 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.34 1iy9 h PHE 140 CO 0.00 1.25 0.13 0.52 -1.61 0.00 0.00 178.31 178.60 1iy9 h MET 141 N 0.61 0.98 -0.57 1.51 2.86 -1.85 -0.13 114.93 118.35 1iy9 h MET 141 Ca -0.01 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1iy9 h MET 141 Cb 1.24 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 1iy9 h MET 141 CO 0.13 0.89 0.26 1.25 1.06 0.00 0.00 176.91 180.50 1iy9 h HIS 142 N 0.94 0.83 -0.42 -0.22 6.17 -1.84 -1.16 115.15 119.44 1iy9 h HIS 142 Ca 0.20 -0.05 -0.11 0.00 0.71 0.00 0.00 60.37 61.12 1iy9 h HIS 142 Cb 0.36 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.02 1iy9 h HIS 142 CO 0.02 0.64 -0.20 0.82 0.71 0.00 0.00 177.93 179.93 1iy9 h ILE 143 N 0.77 1.27 -0.21 6.26 2.04 -0.64 -2.84 117.51 124.16 1iy9 h ILE 143 Ca 0.19 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1iy9 h ILE 143 Cb 0.14 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1iy9 h ILE 143 CO -0.02 0.45 0.07 0.00 0.00 0.00 0.00 178.15 178.65 1iy9 h ALA 144 N 1.05 1.74 -0.57 1.87 0.00 -0.58 -2.39 119.26 120.37 1iy9 h ALA 144 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1iy9 h ALA 144 Cb 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1iy9 h ALA 144 CO 0.06 0.21 0.00 1.63 0.00 0.00 0.00 179.25 181.15 1iy9 n LYS 145 N -4.44 3.97 -4.31 0.00 5.02 -0.48 -4.93 118.16 112.99 1iy9 n LYS 145 Ca 0.00 -2.75 -0.31 0.00 -2.02 0.00 0.00 58.31 53.23 1iy9 n LYS 145 Cb 0.13 -2.00 -0.09 0.00 -0.02 0.00 0.00 35.03 33.04 1iy9 n LYS 145 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1iy9 s SER 146 N -0.80 4.78 -0.04 4.39 0.01 -0.90 -5.04 113.70 116.10 1iy9 s SER 146 Ca 0.49 -0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.57 1iy9 s SER 146 Cb 0.34 -1.12 0.03 0.00 0.21 0.00 0.00 66.02 65.48 1iy9 s SER 146 CO 0.20 0.24 0.05 -0.70 0.41 0.00 0.00 173.24 173.44 1iy9 s GLU 147 N -1.77 -0.06 0.00 12.44 2.12 -1.26 -3.80 118.70 126.37 1iy9 s GLU 147 Ca 0.20 0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.86 1iy9 s GLU 147 Cb -0.11 -0.45 0.00 0.00 0.26 0.00 0.00 34.13 33.83 1iy9 s GLU 147 CO 0.11 -0.29 0.00 0.27 -0.54 0.00 0.00 175.26 174.82 1iy9 n ASN 148 N 5.00 0.00 -0.02 -1.70 6.94 0.10 -4.84 115.26 120.74 1iy9 n ASN 148 Ca -0.10 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.44 1iy9 n ASN 148 Cb 0.50 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.88 1iy9 n ASN 148 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iy9 n GLN 149 N -0.53 2.66 -4.77 -3.83 6.02 -0.16 -4.69 117.38 112.08 1iy9 n GLN 149 Ca 0.00 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.00 56.67 1iy9 n GLN 149 Cb 0.00 -1.14 -0.13 0.00 1.02 0.00 0.00 30.24 29.99 1iy9 n GLN 149 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1iy9 s TYR 150 N -2.17 2.52 -0.06 1.08 1.51 -0.94 -4.82 117.35 114.47 1iy9 s TYR 150 Ca -0.03 -0.29 -0.18 0.00 -1.01 0.00 0.00 57.07 55.57 1iy9 s TYR 150 Cb 0.02 -1.47 -0.30 0.00 -0.11 0.00 0.00 41.96 40.10 1iy9 s TYR 150 CO 0.22 0.20 0.76 -0.44 -1.11 0.00 0.00 175.55 175.19 1iy9 h ASP 151 N 4.73 0.50 -3.71 2.29 3.32 -0.98 0.11 116.42 122.68 1iy9 h ASP 151 Ca -0.47 -0.91 -0.34 0.00 0.02 0.00 0.00 57.03 55.33 1iy9 h ASP 151 Cb 1.15 -0.16 -0.31 0.00 0.22 0.00 0.00 39.33 40.23 1iy9 h ASP 151 CO 0.47 1.55 -0.75 -0.69 -1.72 0.00 0.00 179.24 178.10 1iy9 s VAL 152 N -2.48 0.34 -0.17 -1.35 1.01 -1.21 -0.92 120.40 115.62 1iy9 s VAL 152 Ca -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1iy9 s VAL 152 Cb 0.03 -0.34 0.04 0.00 0.00 0.00 0.00 36.38 36.10 1iy9 s VAL 152 CO 0.82 0.14 -0.08 -0.63 0.00 0.00 0.00 175.10 175.35 1iy9 s ILE 153 N 0.37 1.31 -0.26 2.22 1.01 -0.53 -1.30 121.20 124.02 1iy9 s ILE 153 Ca -0.04 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 1iy9 s ILE 153 Cb -0.07 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 1iy9 s ILE 153 CO -0.00 0.21 0.17 0.00 0.00 0.00 0.00 174.94 175.31 1iy9 s MET 154 N 1.55 3.96 -0.05 2.79 0.23 0.46 -1.67 119.30 126.58 1iy9 s MET 154 Ca 0.01 -0.32 -0.00 0.00 -1.03 0.00 0.00 55.69 54.35 1iy9 s MET 154 Cb -0.15 -3.58 -0.03 0.00 -1.53 0.00 0.00 34.83 29.54 1iy9 s MET 154 CO -0.08 -0.09 -0.01 0.08 -2.03 0.00 0.00 175.02 172.89 1iy9 s VAL 155 N 1.47 4.13 -0.03 5.16 1.01 -0.06 -1.26 120.40 130.83 1iy9 s VAL 155 Ca 0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 1iy9 s VAL 155 Cb -0.15 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 1iy9 s VAL 155 CO 0.08 0.53 0.01 -0.78 0.00 0.00 0.00 175.10 174.94 1iy9 h ASP 156 N 4.90 -0.00 -2.97 3.32 3.58 -1.75 -3.33 116.42 120.17 1iy9 h ASP 156 Ca -0.50 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.30 1iy9 h ASP 156 Cb 1.18 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.15 1iy9 h ASP 156 CO 0.55 0.14 -0.54 -0.55 -2.88 0.00 0.00 179.24 175.95 1iy9 s SER 157 N -3.71 5.95 0.00 2.28 0.15 -1.26 -4.44 113.70 112.67 1iy9 s SER 157 Ca -0.00 0.24 0.26 0.00 0.70 0.00 0.00 55.95 57.15 1iy9 s SER 157 Cb 0.00 -1.79 0.60 0.00 -1.71 0.00 0.00 66.02 63.13 1iy9 s SER 157 CO 0.00 0.29 1.49 1.07 1.20 0.00 0.00 173.24 177.29 1iy9 n THR 158 N 1.24 0.00 -4.03 6.45 5.66 -1.26 -4.76 114.28 117.58 1iy9 n THR 158 Ca -0.13 -0.32 -0.31 0.00 -3.05 0.00 0.00 64.05 60.23 1iy9 n THR 158 Cb 0.53 0.91 -0.15 0.00 -1.55 0.00 0.00 70.33 70.07 1iy9 n THR 158 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1iy9 s GLU 159 N -2.12 1.78 0.26 1.09 8.01 -1.26 -4.98 118.70 121.48 1iy9 s GLU 159 Ca 0.31 -1.57 -0.30 0.00 0.01 0.00 0.00 54.97 53.42 1iy9 s GLU 159 Cb 0.20 -2.99 -0.10 0.00 -4.31 0.00 0.00 34.13 26.92 1iy9 s GLU 159 CO 0.37 -0.76 1.47 -1.25 0.01 0.00 0.00 175.26 175.10 1iy9 s PRO 160 N 1.04 4.24 0.03 0.39 0.04 -1.26 -5.04 135.00 134.43 1iy9 s PRO 160 Ca 0.01 2.36 0.07 0.00 0.04 0.00 0.00 61.00 63.48 1iy9 s PRO 160 Cb -0.19 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1iy9 s PRO 160 CO -0.07 -0.46 -0.20 0.08 0.04 0.00 0.00 177.00 176.39 1iy9 s VAL 161 N -0.07 1.59 0.00 -0.36 1.01 -1.26 -4.90 120.40 116.40 1iy9 s VAL 161 Ca 0.60 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1iy9 s VAL 161 Cb -0.43 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1iy9 s VAL 161 CO 0.45 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.41 1iy9 n GLY 162 N 2.06 0.17 3.55 4.51 0.00 -1.26 -4.84 105.19 109.39 1iy9 n GLY 162 Ca -0.17 -1.67 -0.19 0.00 0.00 0.00 0.00 46.02 43.99 1iy9 n GLY 162 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iy9 n PRO 163 N 0.40 0.64 -1.68 1.61 -0.02 -1.26 -4.82 135.00 129.87 1iy9 n PRO 163 Ca 0.00 -0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 60.44 1iy9 n PRO 163 Cb 0.00 -3.53 -0.01 0.00 -0.02 0.00 0.00 33.50 29.94 1iy9 n PRO 163 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iy9 n ALA 164 N 17.61 6.47 0.98 3.55 0.00 -1.26 -4.51 120.51 143.33 1iy9 n ALA 164 Ca 0.46 -3.83 0.13 0.00 0.00 0.00 0.00 53.44 50.20 1iy9 n ALA 164 Cb 0.44 -3.31 0.60 0.00 0.00 0.00 0.00 19.45 17.18 1iy9 n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1iy9 n VAL 165 N 3.85 0.10 -1.91 0.00 0.31 -1.26 -4.42 118.33 115.01 1iy9 n VAL 165 Ca 0.62 0.03 -0.38 0.00 -0.01 0.00 0.00 64.34 64.60 1iy9 n VAL 165 Cb 0.31 -0.55 -0.03 0.00 -0.91 0.00 0.00 33.84 32.65 1iy9 n VAL 165 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1iy9 n ASN 166 N -1.49 3.53 -1.42 4.52 3.02 -1.26 -4.61 115.26 117.56 1iy9 n ASN 166 Ca 0.07 -2.77 0.10 0.00 -0.03 0.00 0.00 54.58 51.94 1iy9 n ASN 166 Cb 0.32 -1.57 0.32 0.00 -0.61 0.00 0.00 39.78 38.24 1iy9 n ASN 166 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1iy9 n LEU 167 N 9.78 4.17 -4.66 3.41 -0.00 -1.26 -3.91 117.00 124.53 1iy9 n LEU 167 Ca 0.48 -2.10 -0.30 0.00 -0.00 0.00 0.00 56.01 54.09 1iy9 n LEU 167 Cb 0.44 -0.52 0.16 0.00 -0.00 0.00 0.00 43.42 43.50 1iy9 n LEU 167 CO 0.83 0.82 0.65 -0.36 -0.00 0.00 0.00 177.39 179.34 1iy9 s PHE 168 N -1.53 1.84 0.21 1.96 0.40 -1.26 -4.70 117.98 114.89 1iy9 s PHE 168 Ca 0.47 1.57 -0.32 0.00 -0.60 0.00 0.00 56.93 58.05 1iy9 s PHE 168 Cb 0.28 -3.22 -0.13 0.00 0.51 0.00 0.00 43.02 40.46 1iy9 s PHE 168 CO 0.26 -2.76 1.66 2.41 0.70 0.00 0.00 175.22 177.49 1iy9 n THR 169 N -4.18 0.18 -4.10 0.64 -1.04 -1.26 0.16 114.28 104.67 1iy9 n THR 169 Ca 0.09 -0.04 -0.32 0.00 -2.04 0.00 0.00 64.05 61.74 1iy9 n THR 169 Cb 0.53 -1.85 -0.02 0.00 -1.82 0.00 0.00 70.33 67.17 1iy9 n THR 169 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1iy9 n LYS 170 N 3.51 -3.49 0.00 -2.82 0.00 -1.26 -4.56 118.16 109.54 1iy9 n LYS 170 Ca 0.15 0.41 0.00 0.00 0.00 0.00 0.00 58.31 58.87 1iy9 n LYS 170 Cb 0.33 -4.96 0.00 0.00 0.00 0.00 0.00 35.03 30.41 1iy9 n LYS 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iy9 n GLY 171 N -1.63 0.00 0.39 3.14 0.00 0.43 -2.87 105.19 104.65 1iy9 n GLY 171 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1iy9 n GLY 171 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1iy9 h PHE 172 N 0.00 -1.24 -0.67 1.61 3.57 -1.85 0.14 116.94 118.50 1iy9 h PHE 172 Ca 0.00 0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1iy9 h PHE 172 Cb 0.00 0.62 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 1iy9 h PHE 172 CO 0.00 -0.42 0.22 1.88 -2.23 0.00 0.00 178.31 177.76 1iy9 h TYR 173 N -0.23 1.05 0.00 0.41 -1.99 -1.85 0.62 116.97 114.98 1iy9 h TYR 173 Ca 0.18 -0.09 -0.10 0.00 2.00 0.00 0.00 58.73 60.72 1iy9 h TYR 173 Cb 0.56 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 1iy9 h TYR 173 CO -0.70 0.83 -0.45 0.00 -0.00 0.00 0.00 178.16 177.84 1iy9 h ALA 174 N 1.24 1.21 -0.57 3.88 0.00 -1.54 0.52 119.26 124.01 1iy9 h ALA 174 Ca 0.22 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1iy9 h ALA 174 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1iy9 h ALA 174 CO -0.01 0.57 -0.04 0.78 0.00 0.00 0.00 179.25 180.54 1iy9 h GLY 175 N 1.44 1.10 0.92 0.00 0.00 0.11 -1.23 103.07 105.41 1iy9 h GLY 175 Ca -0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 47.33 46.39 1iy9 h GLY 175 CO 0.06 0.76 -0.24 -2.22 0.00 0.00 0.00 176.54 174.90 1iy9 h ILE 176 N 0.92 1.31 -0.72 2.60 2.04 -0.49 -2.30 117.51 120.87 1iy9 h ILE 176 Ca 0.16 -1.40 0.01 0.00 1.00 0.00 0.00 64.86 64.62 1iy9 h ILE 176 Cb 0.59 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 1iy9 h ILE 176 CO 0.04 0.44 0.47 0.00 0.00 0.00 0.00 178.15 179.10 1iy9 h ALA 177 N 0.69 1.48 -0.64 1.87 0.00 -0.69 -0.47 119.26 121.49 1iy9 h ALA 177 Ca 0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1iy9 h ALA 177 Cb 0.80 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1iy9 h ALA 177 CO 0.06 0.48 0.18 -0.22 0.00 0.00 0.00 179.25 179.75 1iy9 h LYS 178 N 0.98 1.01 0.00 0.00 3.64 -1.04 -2.83 116.57 118.34 1iy9 h LYS 178 Ca 0.26 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1iy9 h LYS 178 Cb -0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 1iy9 h LYS 178 CO -0.06 0.90 -0.31 0.00 -2.27 0.00 0.00 179.45 177.72 1iy9 h ALA 179 N 1.07 0.95 -2.23 5.00 0.00 -0.76 0.29 119.26 123.58 1iy9 h ALA 179 Ca 0.20 -0.28 -0.48 0.00 0.00 0.00 0.00 54.91 54.36 1iy9 h ALA 179 Cb 0.33 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.08 1iy9 h ALA 179 CO -0.00 0.38 0.32 -0.51 0.00 0.00 0.00 179.25 179.44 1iy9 s LEU 180 N -6.78 3.65 0.91 0.00 1.43 -0.27 -0.99 118.68 116.63 1iy9 s LEU 180 Ca 0.01 1.46 -0.13 0.00 -1.03 0.00 0.00 54.13 54.45 1iy9 s LEU 180 Cb 0.10 -4.40 0.14 0.00 0.03 0.00 0.00 46.19 42.06 1iy9 s LEU 180 CO 0.67 -0.56 1.15 -0.54 0.23 0.00 0.00 176.35 177.30 1iy9 s LYS 181 N -4.09 1.11 0.62 1.70 1.02 0.37 -3.82 119.74 116.65 1iy9 s LYS 181 Ca 0.57 0.22 0.29 0.00 0.02 0.00 0.00 55.97 57.07 1iy9 s LYS 181 Cb -0.10 -1.84 1.51 0.00 -0.52 0.00 0.00 37.83 36.88 1iy9 s LYS 181 CO 0.33 -2.21 1.89 1.05 -0.92 0.00 0.00 175.35 175.49 1iy9 h GLU 182 N -1.50 0.00 0.00 1.68 4.11 -1.92 0.69 114.58 117.64 1iy9 h GLU 182 Ca -0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.91 1iy9 h GLU 182 Cb 1.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.52 1iy9 h GLU 182 CO 0.60 0.00 -0.54 -0.40 0.07 0.00 0.00 179.01 178.74 1iy9 n ASP 183 N -3.35 1.64 -4.71 3.06 3.85 -1.26 -4.72 116.55 111.06 1iy9 n ASP 183 Ca 0.04 -3.60 -0.30 0.00 -0.71 0.00 0.00 54.79 50.22 1iy9 n ASP 183 Cb 0.54 -0.49 0.14 0.00 -1.35 0.00 0.00 41.12 39.96 1iy9 n ASP 183 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1iy9 s GLY 184 N -3.04 1.63 0.01 6.12 0.00 0.23 -4.59 107.32 107.69 1iy9 s GLY 184 Ca 0.37 0.03 0.02 0.00 0.00 0.00 0.00 44.72 45.14 1iy9 s GLY 184 CO -0.08 0.51 -0.07 -0.42 0.00 0.00 0.00 173.10 173.04 1iy9 s ILE 185 N -2.88 0.50 0.03 0.90 1.01 -0.10 -1.62 121.20 119.05 1iy9 s ILE 185 Ca 0.63 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.74 1iy9 s ILE 185 Cb -0.19 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 1iy9 s ILE 185 CO 0.57 -0.06 -0.06 0.72 0.00 0.00 0.00 174.94 176.11 1iy9 s PHE 186 N -0.60 0.54 0.03 3.97 -0.12 0.27 -1.45 117.98 120.62 1iy9 s PHE 186 Ca -0.02 -0.50 0.04 0.00 -0.05 0.00 0.00 56.93 56.40 1iy9 s PHE 186 Cb -0.05 -0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 41.99 1iy9 s PHE 186 CO 0.00 -0.12 -0.13 0.08 -0.05 0.00 0.00 175.22 175.01 1iy9 s VAL 187 N -1.39 1.00 -0.08 -2.49 1.01 -0.67 -0.93 120.40 116.84 1iy9 s VAL 187 Ca -0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1iy9 s VAL 187 Cb -0.10 -0.90 0.04 0.00 0.00 0.00 0.00 36.38 35.42 1iy9 s VAL 187 CO -0.00 0.04 0.19 0.00 0.00 0.00 0.00 175.10 175.33 1iy9 s ALA 188 N -0.72 -0.41 0.44 5.51 0.00 -0.45 -0.88 121.76 125.25 1iy9 s ALA 188 Ca 0.01 0.80 -0.25 0.00 0.00 0.00 0.00 51.96 52.52 1iy9 s ALA 188 Cb -0.07 -0.51 -0.08 0.00 0.00 0.00 0.00 23.12 22.46 1iy9 s ALA 188 CO 0.01 -0.17 1.28 1.14 0.00 0.00 0.00 175.76 178.03 1iy9 s GLN 189 N 1.07 3.77 -0.33 0.00 -2.07 -1.25 -0.67 119.66 120.18 1iy9 s GLN 189 Ca -0.08 2.09 0.16 0.00 -1.82 0.00 0.00 55.36 55.71 1iy9 s GLN 189 Cb -0.10 -2.59 0.46 0.00 -1.09 0.00 0.00 33.01 29.69 1iy9 s GLN 189 CO -0.06 -0.64 0.98 -2.37 -1.32 0.00 0.00 175.29 171.88 1iy9 n THR 190 N -0.22 1.20 -3.58 3.63 5.66 0.62 -4.78 114.28 116.82 1iy9 n THR 190 Ca 0.06 -3.31 0.00 0.00 -3.05 0.00 0.00 64.05 57.75 1iy9 n THR 190 Cb 0.45 0.43 0.00 0.00 -1.55 0.00 0.00 70.33 69.65 1iy9 n THR 190 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1iy9 n ASP 191 N -0.15 -2.03 -4.70 1.09 8.00 -1.26 -4.45 116.55 113.06 1iy9 n ASP 191 Ca 0.13 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.37 1iy9 n ASP 191 Cb 0.80 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.83 1iy9 n ASP 191 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1iy9 s ASN 192 N -4.00 4.93 0.00 -2.24 2.20 -1.26 -0.72 114.94 113.85 1iy9 s ASN 192 Ca 0.00 -0.36 0.29 0.00 -0.94 0.00 0.00 52.86 51.85 1iy9 s ASN 192 Cb 0.00 -1.10 1.25 0.00 -2.00 0.00 0.00 41.25 39.40 1iy9 s ASN 192 CO 0.00 0.07 1.87 -0.81 -2.94 0.00 0.00 177.10 175.29 1iy9 n PRO 193 N -0.27 0.76 0.01 3.55 -0.04 -1.26 -3.42 135.00 134.33 1iy9 n PRO 193 Ca -0.09 -0.26 -0.18 0.00 -0.04 0.00 0.00 63.50 62.93 1iy9 n PRO 193 Cb 0.55 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 1iy9 n PRO 193 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1iy9 h TRP 194 N 0.64 0.37 0.00 0.54 4.06 -1.94 -3.38 115.95 116.24 1iy9 h TRP 194 Ca 0.00 -0.27 -0.04 0.00 2.06 0.00 0.00 58.89 60.64 1iy9 h TRP 194 Cb 0.35 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 1iy9 h TRP 194 CO 0.00 1.54 -1.29 1.19 -3.56 0.00 0.00 178.44 176.32 1iy9 n PHE 195 N -3.37 0.00 -2.87 0.49 0.99 -1.26 -4.75 117.46 106.70 1iy9 n PHE 195 Ca -0.26 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.00 1iy9 n PHE 195 Cb 1.05 -0.18 -0.01 0.00 -1.00 0.00 0.00 39.48 39.34 1iy9 n PHE 195 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1iy9 n THR 196 N -1.90 1.32 0.25 4.37 -2.24 -1.22 -4.90 114.28 109.95 1iy9 n THR 196 Ca -0.04 -4.46 0.11 0.00 -2.27 0.00 0.00 64.05 57.39 1iy9 n THR 196 Cb 0.37 -0.44 0.64 0.00 -2.10 0.00 0.00 70.33 68.80 1iy9 n THR 196 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1iy9 h PRO 197 N 2.92 0.00 -0.79 -0.78 0.13 -1.74 -2.93 132.00 128.81 1iy9 h PRO 197 Ca 0.09 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.29 1iy9 h PRO 197 Cb 0.91 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.98 1iy9 h PRO 197 CO 0.63 0.16 0.46 0.93 -0.23 0.00 0.00 178.00 179.95 1iy9 h GLU 198 N 0.00 0.80 -0.86 0.86 4.39 -1.91 -2.13 114.58 115.72 1iy9 h GLU 198 Ca -0.00 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.74 1iy9 h GLU 198 Cb 0.40 -0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 28.80 1iy9 h GLU 198 CO 0.02 0.53 0.51 1.25 -1.16 0.00 0.00 179.01 180.16 1iy9 h LEU 199 N 0.82 0.76 -0.56 1.33 6.46 -1.89 -1.10 115.31 121.13 1iy9 h LEU 199 Ca 0.36 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 58.12 1iy9 h LEU 199 Cb 0.24 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1iy9 h LEU 199 CO -0.20 0.45 0.20 0.40 -0.62 0.00 0.00 178.44 178.67 1iy9 h ILE 200 N 0.88 1.23 0.08 4.05 2.04 -1.51 -1.09 117.51 123.19 1iy9 h ILE 200 Ca 0.40 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1iy9 h ILE 200 Cb 0.32 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1iy9 h ILE 200 CO -0.23 0.28 -0.04 0.74 0.00 0.00 0.00 178.15 178.90 1iy9 h THR 201 N 0.78 1.01 0.08 -0.27 2.02 -1.25 -1.83 112.91 113.44 1iy9 h THR 201 Ca 0.18 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1iy9 h THR 201 Cb 0.24 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1iy9 h THR 201 CO -0.01 0.08 -0.04 0.78 0.37 0.00 0.00 175.52 176.70 1iy9 h ASN 202 N -0.26 -0.09 -0.36 4.18 2.35 -1.15 -1.70 115.58 118.54 1iy9 h ASN 202 Ca -0.01 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1iy9 h ASN 202 Cb 0.22 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1iy9 h ASN 202 CO 0.02 0.04 0.14 0.58 -1.65 0.00 0.00 177.43 176.56 1iy9 h VAL 203 N -0.23 1.19 -0.90 2.81 2.07 -1.26 -0.09 116.25 119.84 1iy9 h VAL 203 Ca -0.01 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 66.96 1iy9 h VAL 203 Cb 0.19 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1iy9 h VAL 203 CO 0.02 0.21 0.58 -0.61 0.02 0.00 0.00 177.57 177.79 1iy9 h GLN 204 N 0.44 1.05 -0.17 1.57 5.75 -1.28 0.12 115.11 122.59 1iy9 h GLN 204 Ca 0.12 -0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.43 1iy9 h GLN 204 Cb 0.20 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.51 1iy9 h GLN 204 CO -0.01 0.70 -0.37 -0.09 -2.65 0.00 0.00 178.83 176.40 1iy9 h ARG 205 N 1.08 0.56 -0.15 1.69 2.43 -1.09 -2.45 114.38 116.46 1iy9 h ARG 205 Ca 0.38 -0.37 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 1iy9 h ARG 205 Cb 0.09 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1iy9 h ARG 205 CO -0.15 0.98 -0.38 -0.44 -1.51 0.00 0.00 179.97 178.47 1iy9 h ASP 206 N 0.21 0.34 0.14 -3.80 3.32 -0.57 -2.76 116.42 113.30 1iy9 h ASP 206 Ca 0.00 -0.14 -0.21 0.00 0.02 0.00 0.00 57.03 56.71 1iy9 h ASP 206 Cb 0.98 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1iy9 h ASP 206 CO 0.08 0.70 -0.80 0.58 -1.72 0.00 0.00 179.24 178.08 1iy9 h VAL 207 N 0.28 1.35 0.00 -1.35 2.07 -0.81 -3.08 116.25 114.70 1iy9 h VAL 207 Ca 0.03 -2.15 -0.04 0.00 0.82 0.00 0.00 66.70 65.36 1iy9 h VAL 207 Cb 0.80 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1iy9 h VAL 207 CO 0.06 0.66 -0.18 0.50 0.02 0.00 0.00 177.57 178.63 1iy9 h LYS 208 N 0.35 0.00 0.00 1.57 1.63 -1.31 -0.75 116.57 118.06 1iy9 h LYS 208 Ca -0.05 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1iy9 h LYS 208 Cb 1.40 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.03 1iy9 h LYS 208 CO 0.15 0.18 -0.03 0.93 -3.45 0.00 0.00 179.45 177.23 1iy9 h GLU 209 N 0.00 0.00 0.00 1.90 5.08 -1.39 -3.26 114.58 116.90 1iy9 h GLU 209 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1iy9 h GLU 209 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1iy9 h GLU 209 CO 0.02 0.03 -1.01 0.44 -1.00 0.00 0.00 179.01 177.49 1iy9 n ILE 210 N -3.67 0.00 -4.56 3.13 -5.35 -0.55 -5.02 119.36 103.34 1iy9 n ILE 210 Ca -0.03 -0.01 -0.33 0.00 -0.27 0.00 0.00 62.75 62.11 1iy9 n ILE 210 Cb 0.12 0.28 -0.13 0.00 -1.74 0.00 0.00 39.64 38.18 1iy9 n ILE 210 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1iy9 s PHE 211 N -2.01 2.94 0.49 4.28 0.40 -0.40 -5.00 117.98 118.68 1iy9 s PHE 211 Ca -0.00 -0.35 0.15 0.00 -0.60 0.00 0.00 56.93 56.14 1iy9 s PHE 211 Cb 0.00 -1.88 1.17 0.00 0.51 0.00 0.00 43.02 42.82 1iy9 s PHE 211 CO 0.01 -0.03 2.09 -1.00 0.70 0.00 0.00 175.22 176.99 1iy9 h PRO 212 N 6.46 0.00 -4.88 0.24 0.13 -1.83 -3.39 132.00 128.72 1iy9 h PRO 212 Ca -0.32 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.13 1iy9 h PRO 212 Cb 1.19 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.01 1iy9 h PRO 212 CO 0.59 0.07 -0.73 0.42 -0.23 0.00 0.00 178.00 178.12 1iy9 s ILE 213 N -4.89 2.96 -0.20 -3.56 1.01 -1.01 -5.04 121.20 110.46 1iy9 s ILE 213 Ca -0.05 -1.05 -0.02 0.00 0.00 0.00 0.00 60.65 59.53 1iy9 s ILE 213 Cb 0.16 -2.53 0.06 0.00 0.01 0.00 0.00 42.46 40.17 1iy9 s ILE 213 CO 0.68 0.15 0.03 -0.89 0.00 0.00 0.00 174.94 174.91 1iy9 s THR 214 N 1.33 0.61 0.39 2.92 2.01 -1.26 -0.73 115.64 120.91 1iy9 s THR 214 Ca -0.00 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.41 1iy9 s THR 214 Cb -0.17 -1.13 -0.08 0.00 0.01 0.00 0.00 72.50 71.14 1iy9 s THR 214 CO -0.04 -0.23 -0.00 -0.54 -0.69 0.00 0.00 174.62 173.12 1iy9 s LYS 215 N 1.81 1.90 -0.07 4.92 -0.14 -0.85 -4.99 119.74 122.33 1iy9 s LYS 215 Ca -0.01 -2.06 0.01 0.00 -1.36 0.00 0.00 55.97 52.55 1iy9 s LYS 215 Cb -0.17 -1.56 0.02 0.00 -1.68 0.00 0.00 37.83 34.44 1iy9 s LYS 215 CO -0.09 -0.03 -0.06 -1.17 -0.76 0.00 0.00 175.35 173.24 1iy9 s LEU 216 N -3.67 1.25 0.36 3.17 2.96 -1.26 -1.57 118.68 119.93 1iy9 s LEU 216 Ca 0.35 -0.20 0.09 0.00 -0.22 0.00 0.00 54.13 54.14 1iy9 s LEU 216 Cb 0.09 -0.63 -0.07 0.00 0.50 0.00 0.00 46.19 46.08 1iy9 s LEU 216 CO 0.17 -0.07 -0.05 -0.72 -1.32 0.00 0.00 176.35 174.36 1iy9 s TYR 217 N 1.21 2.46 0.26 5.38 -0.85 0.70 -4.58 117.35 121.93 1iy9 s TYR 217 Ca -0.06 -0.52 0.11 0.00 -0.52 0.00 0.00 57.07 56.08 1iy9 s TYR 217 Cb -0.14 -1.49 -0.05 0.00 0.38 0.00 0.00 41.96 40.66 1iy9 s TYR 217 CO -0.02 0.53 -0.20 0.99 -1.52 0.00 0.00 175.55 175.33 1iy9 s THR 218 N -2.61 2.37 -0.10 -3.49 2.01 0.34 -0.40 115.64 113.76 1iy9 s THR 218 Ca 0.34 -2.35 -0.30 0.00 0.31 0.00 0.00 61.69 59.68 1iy9 s THR 218 Cb 0.03 -2.25 0.10 0.00 0.01 0.00 0.00 72.50 70.39 1iy9 s THR 218 CO 0.17 -0.40 0.83 0.00 -0.69 0.00 0.00 174.62 174.53 1iy9 s ALA 219 N -2.49 -1.84 -0.44 7.40 0.00 -0.87 -4.73 121.76 118.79 1iy9 s ALA 219 Ca 0.28 1.43 -0.20 0.00 0.00 0.00 0.00 51.96 53.47 1iy9 s ALA 219 Cb -0.05 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.79 1iy9 s ALA 219 CO 0.13 -0.35 0.62 1.21 0.00 0.00 0.00 175.76 177.37 1iy9 s ASN 220 N -1.19 6.30 -0.39 0.00 2.47 -1.26 -0.47 114.94 120.40 1iy9 s ASN 220 Ca -0.06 -0.44 0.04 0.00 0.42 0.00 0.00 52.86 52.82 1iy9 s ASN 220 Cb -0.00 -2.31 0.11 0.00 -1.45 0.00 0.00 41.25 37.60 1iy9 s ASN 220 CO 0.06 -0.78 0.10 -0.63 -3.72 0.00 0.00 177.10 172.13 1iy9 s ILE 221 N 2.74 2.36 0.64 -5.21 1.01 -1.11 -4.91 121.20 116.72 1iy9 s ILE 221 Ca 0.21 -2.59 0.29 0.00 0.00 0.00 0.00 60.65 58.55 1iy9 s ILE 221 Cb -0.15 -2.72 0.32 0.00 0.01 0.00 0.00 42.46 39.92 1iy9 s ILE 221 CO 0.18 -0.65 1.89 1.55 0.00 0.00 0.00 174.94 177.91 1iy9 h PRO 222 N 7.33 0.00 -0.02 2.79 0.13 -1.94 -1.13 132.00 139.16 1iy9 h PRO 222 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1iy9 h PRO 222 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1iy9 h PRO 222 CO 0.56 0.00 -0.08 2.41 -0.23 0.00 0.00 178.00 180.66 1iy9 n THR 223 N -3.16 0.00 -4.08 1.56 -1.04 -1.26 -4.78 114.28 101.52 1iy9 n THR 223 Ca 0.01 -0.38 -0.28 0.00 -2.04 0.00 0.00 64.05 61.37 1iy9 n THR 223 Cb 0.48 1.14 -0.06 0.00 -1.82 0.00 0.00 70.33 70.07 1iy9 n THR 223 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1iy9 s TYR 224 N -2.10 3.13 -0.31 -1.42 1.51 -0.43 -4.86 117.35 112.87 1iy9 s TYR 224 Ca 0.29 0.00 -0.42 0.00 -1.01 0.00 0.00 57.07 55.93 1iy9 s TYR 224 Cb 0.20 -1.54 -0.17 0.00 -0.11 0.00 0.00 41.96 40.34 1iy9 s TYR 224 CO 0.36 0.52 1.64 -2.30 -1.11 0.00 0.00 175.55 174.66 1iy9 n PRO 225 N -0.03 0.73 0.00 -1.71 -0.02 -1.26 -1.58 135.00 131.13 1iy9 n PRO 225 Ca -0.09 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1iy9 n PRO 225 Cb 0.54 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1iy9 n PRO 225 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1iy9 n SER 226 N 4.58 0.00 0.00 2.55 3.41 -1.26 -4.03 113.62 118.87 1iy9 n SER 226 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1iy9 n SER 226 Cb 0.07 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1iy9 n SER 226 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iy9 n GLY 227 N -1.99 1.09 2.91 5.00 0.00 -0.62 -4.99 105.19 106.59 1iy9 n GLY 227 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1iy9 n GLY 227 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iy9 s LEU 228 N 0.00 1.80 0.17 0.99 2.96 -1.26 -2.76 118.68 120.58 1iy9 s LEU 228 Ca 0.00 -0.74 0.06 0.00 -0.22 0.00 0.00 54.13 53.23 1iy9 s LEU 228 Cb 0.00 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.66 1iy9 s LEU 228 CO 0.00 -0.18 0.11 0.86 -1.32 0.00 0.00 176.35 175.82 1iy9 s TRP 229 N 1.57 3.09 0.06 5.38 -0.00 0.38 -4.39 118.94 125.02 1iy9 s TRP 229 Ca -0.00 -0.05 0.09 0.00 -0.00 0.00 0.00 56.10 56.14 1iy9 s TRP 229 Cb -0.16 -1.47 -0.03 0.00 -0.00 0.00 0.00 33.47 31.81 1iy9 s TRP 229 CO -0.08 0.52 -0.26 0.99 -0.00 0.00 0.00 176.95 178.13 1iy9 s THR 230 N -1.79 2.09 -0.02 5.86 2.01 0.10 -2.04 115.64 121.85 1iy9 s THR 230 Ca 0.30 -1.42 0.02 0.00 0.31 0.00 0.00 61.69 60.90 1iy9 s THR 230 Cb -0.10 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.62 1iy9 s THR 230 CO 0.23 0.30 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.03 1iy9 s PHE 231 N -0.85 0.76 -0.19 4.92 0.40 0.46 -0.28 117.98 123.21 1iy9 s PHE 231 Ca 0.11 -0.18 -0.08 0.00 -0.60 0.00 0.00 56.93 56.19 1iy9 s PHE 231 Cb -0.10 -0.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.83 1iy9 s PHE 231 CO 0.03 -0.09 0.07 0.99 0.70 0.00 0.00 175.22 176.91 1iy9 s THR 232 N 0.28 4.77 -0.18 0.64 2.01 0.16 -0.21 115.64 123.11 1iy9 s THR 232 Ca -0.04 -0.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 1iy9 s THR 232 Cb -0.08 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.27 1iy9 s THR 232 CO 0.00 0.44 -0.15 -0.51 -0.69 0.00 0.00 174.62 173.71 1iy9 s ILE 233 N 0.51 2.55 -0.22 1.82 2.07 -0.61 -1.34 121.20 125.98 1iy9 s ILE 233 Ca 0.03 -0.79 -0.05 0.00 -1.41 0.00 0.00 60.65 58.44 1iy9 s ILE 233 Cb -0.13 -2.09 -0.01 0.00 0.13 0.00 0.00 42.46 40.36 1iy9 s ILE 233 CO 0.01 0.51 -0.01 -0.83 -1.91 0.00 0.00 174.94 172.70 1iy9 s GLY 234 N 1.11 1.65 -0.00 1.50 0.00 -0.11 -2.00 107.32 109.47 1iy9 s GLY 234 Ca 0.00 -1.14 0.06 0.00 0.00 0.00 0.00 44.72 43.65 1iy9 s GLY 234 CO -0.05 0.43 -0.20 -0.45 0.00 0.00 0.00 173.10 172.83 1iy9 s SER 235 N 1.45 2.31 0.14 1.64 0.15 0.09 -0.56 113.70 118.92 1iy9 s SER 235 Ca 0.05 -0.38 0.18 0.00 0.70 0.00 0.00 55.95 56.49 1iy9 s SER 235 Cb -0.14 -0.24 -0.06 0.00 -1.71 0.00 0.00 66.02 63.86 1iy9 s SER 235 CO -0.01 0.22 1.01 0.11 1.20 0.00 0.00 173.24 175.77 1iy9 h LYS 236 N 5.51 0.00 0.00 5.44 1.57 -1.58 -2.67 116.57 124.84 1iy9 h LYS 236 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1iy9 h LYS 236 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1iy9 h LYS 236 CO 0.47 0.28 0.00 1.17 -0.57 0.00 0.00 179.45 180.80 1iy9 n LYS 237 N -2.93 0.00 -3.13 3.15 4.81 -1.26 -4.70 118.16 114.10 1iy9 n LYS 237 Ca -0.05 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.00 1iy9 n LYS 237 Cb 0.76 -0.17 -0.05 0.00 0.02 0.00 0.00 35.03 35.59 1iy9 n LYS 237 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1iy9 s TYR 238 N -1.50 3.70 -0.18 5.64 1.51 -1.26 -5.04 117.35 120.21 1iy9 s TYR 238 Ca 0.00 1.29 -0.20 0.00 -1.01 0.00 0.00 57.07 57.15 1iy9 s TYR 238 Cb 0.00 -2.68 -0.03 0.00 -0.11 0.00 0.00 41.96 39.14 1iy9 s TYR 238 CO 0.00 0.32 0.56 0.34 -1.11 0.00 0.00 175.55 175.67 1iy9 s ASP 239 N -0.13 6.65 0.47 2.29 -1.08 -1.26 -4.82 116.67 118.79 1iy9 s ASP 239 Ca 0.34 0.78 0.32 0.00 -0.52 0.00 0.00 52.55 53.46 1iy9 s ASP 239 Cb -0.19 -2.32 1.58 0.00 -1.46 0.00 0.00 42.92 40.54 1iy9 s ASP 239 CO 0.19 -0.19 1.97 1.55 0.52 0.00 0.00 175.17 179.21 1iy9 h PRO 240 N 7.34 0.00 -0.29 4.34 0.13 -1.95 -1.25 132.00 140.32 1iy9 h PRO 240 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1iy9 h PRO 240 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1iy9 h PRO 240 CO 0.75 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.80 1iy9 n LEU 241 N -2.69 2.95 -0.61 1.56 4.77 -1.26 -4.00 117.00 117.71 1iy9 n LEU 241 Ca -0.01 -1.23 0.06 0.00 -0.03 0.00 0.00 56.01 54.80 1iy9 n LEU 241 Cb 0.14 -0.18 0.17 0.00 -2.33 0.00 0.00 43.42 41.21 1iy9 n LEU 241 CO 0.19 0.61 0.63 0.00 -1.33 0.00 0.00 177.39 177.49 1iy9 n ALA 242 N 1.18 2.40 -1.78 -1.18 0.00 -0.47 -5.02 120.51 115.63 1iy9 n ALA 242 Ca 0.18 -1.54 -0.42 0.00 0.00 0.00 0.00 53.44 51.67 1iy9 n ALA 242 Cb 0.54 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 1iy9 n ALA 242 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iy9 s VAL 243 N -1.62 2.16 0.32 0.00 1.01 -1.24 -4.94 120.40 116.08 1iy9 s VAL 243 Ca 0.26 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 1iy9 s VAL 243 Cb 0.18 -3.08 -0.10 0.00 0.00 0.00 0.00 36.38 33.38 1iy9 s VAL 243 CO 0.11 0.01 1.19 -1.61 0.00 0.00 0.00 175.10 174.80 1iy9 s GLU 244 N 0.64 4.45 0.27 2.72 0.41 -1.26 -4.94 118.70 121.00 1iy9 s GLU 244 Ca 0.70 1.96 -0.04 0.00 -0.41 0.00 0.00 54.97 57.19 1iy9 s GLU 244 Cb -0.48 -3.07 0.36 0.00 -1.78 0.00 0.00 34.13 29.16 1iy9 s GLU 244 CO 0.37 -0.01 1.93 0.22 -0.49 0.00 0.00 175.26 177.28 1iy9 h ASP 245 N 3.49 1.06 0.56 -0.19 1.82 -1.98 -0.98 116.42 120.19 1iy9 h ASP 245 Ca -0.48 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 1iy9 h ASP 245 Cb 1.22 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.98 1iy9 h ASP 245 CO 0.66 0.75 0.00 0.77 -1.61 0.00 0.00 179.24 179.80 1iy9 h SER 246 N 1.24 0.00 -0.35 2.28 4.64 -2.03 -2.88 113.55 116.45 1iy9 h SER 246 Ca 0.37 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.62 1iy9 h SER 246 Cb -0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1iy9 h SER 246 CO -0.10 0.00 -0.01 -0.09 -0.87 0.00 0.00 176.83 175.76 1iy9 h ARG 247 N 0.00 0.72 -7.22 4.77 1.12 -1.55 -3.44 114.38 108.78 1iy9 h ARG 247 Ca 0.00 -0.19 -0.51 0.00 -1.11 0.00 0.00 59.98 58.18 1iy9 h ARG 247 Cb 0.28 -0.09 0.10 0.00 -0.01 0.00 0.00 29.97 30.25 1iy9 h ARG 247 CO 0.00 0.74 0.37 -0.06 -3.11 0.00 0.00 179.97 177.91 1iy9 s PHE 248 N -4.95 2.72 0.08 2.20 0.40 -1.09 -5.07 117.98 112.27 1iy9 s PHE 248 Ca -0.09 1.54 -0.08 0.00 -0.60 0.00 0.00 56.93 57.70 1iy9 s PHE 248 Cb 0.15 -3.11 -0.01 0.00 0.51 0.00 0.00 43.02 40.56 1iy9 s PHE 248 CO 0.80 -1.54 0.16 -0.59 0.70 0.00 0.00 175.22 174.75 1iy9 s PHE 249 N -2.45 0.20 0.21 0.36 -0.12 -1.26 -5.09 117.98 109.83 1iy9 s PHE 249 Ca 0.65 -0.64 -0.32 0.00 -0.05 0.00 0.00 56.93 56.57 1iy9 s PHE 249 Cb -0.19 -0.10 -0.12 0.00 -0.63 0.00 0.00 43.02 41.98 1iy9 s PHE 249 CO 0.42 -0.52 1.72 -0.25 -0.05 0.00 0.00 175.22 176.54 1iy9 n ASP 250 N -0.02 3.98 -3.80 1.98 8.00 -1.26 -4.98 116.55 120.46 1iy9 n ASP 250 Ca -0.15 1.06 -0.13 0.00 0.71 0.00 0.00 54.79 56.29 1iy9 n ASP 250 Cb 0.62 -1.57 -0.11 0.00 -0.02 0.00 0.00 41.12 40.03 1iy9 n ASP 250 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1iy9 s ILE 251 N 1.14 0.01 -0.32 0.53 2.07 -1.26 -5.12 121.20 118.24 1iy9 s ILE 251 Ca 0.75 -0.08 -0.25 0.00 -1.41 0.00 0.00 60.65 59.66 1iy9 s ILE 251 Cb -0.51 -0.36 0.01 0.00 0.13 0.00 0.00 42.46 41.73 1iy9 s ILE 251 CO 0.33 -0.04 0.88 -0.70 -1.91 0.00 0.00 174.94 173.49 1iy9 s GLU 252 N -0.06 3.95 0.15 3.50 2.12 -1.26 -5.02 118.70 122.08 1iy9 s GLU 252 Ca -0.02 0.68 -0.03 0.00 0.36 0.00 0.00 54.97 55.96 1iy9 s GLU 252 Cb -0.02 -3.75 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 1iy9 s GLU 252 CO 0.01 -0.79 0.14 0.95 -0.54 0.00 0.00 175.26 175.02 1iy9 s THR 253 N 3.22 0.08 -0.14 -1.70 -4.23 -1.26 -5.06 115.64 106.54 1iy9 s THR 253 Ca 0.36 -1.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1iy9 s THR 253 Cb -0.13 -2.04 -0.01 0.00 1.34 0.00 0.00 72.50 71.66 1iy9 s THR 253 CO 0.15 -0.36 0.21 0.29 -0.54 0.00 0.00 174.62 174.37 1iy9 n LYS 254 N -0.15 4.48 0.06 3.99 5.02 -1.26 -4.90 118.16 125.39 1iy9 n LYS 254 Ca -0.05 -0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1iy9 n LYS 254 Cb 0.64 -0.71 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 1iy9 n LYS 254 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1iy9 n TYR 255 N -0.74 -0.83 -1.63 2.13 9.36 -1.26 -5.06 117.16 119.13 1iy9 n TYR 255 Ca 0.01 0.15 -0.42 0.00 3.32 0.00 0.00 57.90 60.96 1iy9 n TYR 255 Cb 0.04 0.30 0.01 0.00 -0.63 0.00 0.00 39.34 39.05 1iy9 n TYR 255 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1iy9 n TYR 256 N -3.09 1.47 -3.68 2.98 9.36 -1.26 -4.95 117.16 117.99 1iy9 n TYR 256 Ca 0.00 0.57 -0.12 0.00 3.32 0.00 0.00 57.90 61.66 1iy9 n TYR 256 Cb 0.00 -2.28 -0.06 0.00 -0.63 0.00 0.00 39.34 36.37 1iy9 n TYR 256 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1iy9 s THR 257 N -1.22 0.06 0.48 2.97 2.01 -1.26 -4.81 115.64 113.88 1iy9 s THR 257 Ca 0.61 -0.53 0.14 0.00 0.31 0.00 0.00 61.69 62.22 1iy9 s THR 257 Cb -0.57 -0.98 0.23 0.00 0.01 0.00 0.00 72.50 71.19 1iy9 s THR 257 CO 0.58 -0.29 2.07 0.07 -0.69 0.00 0.00 174.62 176.35 1iy9 h LYS 258 N 2.98 0.06 0.13 4.92 2.10 -1.99 0.12 116.57 124.89 1iy9 h LYS 258 Ca -0.32 -0.01 -0.30 0.00 -2.00 0.00 0.00 60.65 58.02 1iy9 h LYS 258 Cb 1.21 -0.01 0.03 0.00 -0.90 0.00 0.00 32.23 32.56 1iy9 h LYS 258 CO 0.45 0.12 -1.27 -0.44 -2.00 0.00 0.00 179.45 176.31 1iy9 h ASP 259 N 0.06 0.89 -0.31 7.07 3.45 -2.00 -3.11 116.42 122.47 1iy9 h ASP 259 Ca 0.01 -0.83 -0.01 0.00 0.43 0.00 0.00 57.03 56.63 1iy9 h ASP 259 Cb 0.14 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.61 1iy9 h ASP 259 CO 0.01 1.63 0.16 0.40 -1.57 0.00 0.00 179.24 179.87 1iy9 h ILE 260 N 0.27 1.12 -0.55 0.35 1.08 -1.74 0.42 117.51 118.46 1iy9 h ILE 260 Ca -0.20 -0.36 0.11 0.00 -0.39 0.00 0.00 64.86 64.02 1iy9 h ILE 260 Cb 1.94 0.69 -0.09 0.00 -3.07 0.00 0.00 36.82 36.30 1iy9 h ILE 260 CO 0.24 0.14 0.04 -0.74 -0.69 0.00 0.00 178.15 177.14 1iy9 h HIS 261 N 0.48 0.04 0.21 1.37 2.76 -0.71 0.18 115.15 119.48 1iy9 h HIS 261 Ca 0.12 0.04 -0.34 0.00 -2.20 0.00 0.00 60.37 57.99 1iy9 h HIS 261 Cb 0.06 0.07 0.02 0.00 1.55 0.00 0.00 27.41 29.11 1iy9 h HIS 261 CO 0.00 -0.10 -1.64 0.87 -1.30 0.00 0.00 177.93 175.77 1iy9 h LYS 262 N 0.16 0.44 0.00 5.26 1.57 -1.42 -3.36 116.57 119.22 1iy9 h LYS 262 Ca 0.28 -0.76 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 1iy9 h LYS 262 Cb 0.43 0.28 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1iy9 h LYS 262 CO -0.43 1.36 -0.10 0.00 -0.57 0.00 0.00 179.45 179.70 1iy9 h ALA 263 N 0.16 1.69 0.00 3.86 0.00 -0.58 -2.29 119.26 122.10 1iy9 h ALA 263 Ca -0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1iy9 h ALA 263 Cb 2.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 1iy9 h ALA 263 CO 0.22 0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.58 1iy9 h ALA 264 N 1.90 1.04 -0.01 0.00 0.00 -0.79 -1.70 119.26 119.70 1iy9 h ALA 264 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1iy9 h ALA 264 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1iy9 h ALA 264 CO 0.01 0.01 -0.05 1.19 0.00 0.00 0.00 179.25 180.41 1iy9 n PHE 265 N -3.15 0.00 -3.00 0.00 3.01 -0.86 -0.50 117.46 112.95 1iy9 n PHE 265 Ca -0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.01 1iy9 n PHE 265 Cb 0.17 -0.04 -0.05 0.00 -0.01 0.00 0.00 39.48 39.54 1iy9 n PHE 265 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1iy9 s VAL 266 N -2.14 4.63 0.17 -4.37 1.01 -0.64 -4.94 120.40 114.12 1iy9 s VAL 266 Ca 0.36 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 1iy9 s VAL 266 Cb 0.21 -4.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 1iy9 s VAL 266 CO 0.39 -1.00 0.57 -0.76 0.00 0.00 0.00 175.10 174.30 1iy9 s LEU 267 N 3.29 4.31 0.47 3.92 1.02 -1.26 -4.97 118.68 125.46 1iy9 s LEU 267 Ca 0.22 1.10 -0.23 0.00 0.02 0.00 0.00 54.13 55.23 1iy9 s LEU 267 Cb -0.16 -3.37 -0.07 0.00 0.02 0.00 0.00 46.19 42.60 1iy9 s LEU 267 CO 0.15 0.06 1.28 -2.84 0.02 0.00 0.00 176.35 175.02 1iy9 s PRO 268 N -2.09 3.61 0.28 1.29 0.02 -1.26 -4.74 135.00 132.11 1iy9 s PRO 268 Ca 0.40 2.06 -0.07 0.00 0.02 0.00 0.00 61.00 63.40 1iy9 s PRO 268 Cb -0.15 -2.47 0.48 0.00 0.02 0.00 0.00 34.50 32.39 1iy9 s PRO 268 CO 0.19 -0.75 1.56 -0.22 -0.33 0.00 0.00 177.00 177.45 1iy9 h LYS 269 N 2.04 0.00 0.00 5.54 1.63 -2.00 0.17 116.57 123.95 1iy9 h LYS 269 Ca -0.50 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.28 1iy9 h LYS 269 Cb 1.26 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1iy9 h LYS 269 CO 0.60 0.00 -0.11 0.27 -3.45 0.00 0.00 179.45 176.76 1iy9 h PHE 270 N 0.00 0.00 0.19 1.91 -5.15 -2.00 -2.40 116.94 109.50 1iy9 h PHE 270 Ca 0.49 0.00 -0.32 0.00 -0.20 0.00 0.00 57.97 57.94 1iy9 h PHE 270 Cb 0.77 0.00 0.03 0.00 0.22 0.00 0.00 35.95 36.97 1iy9 h PHE 270 CO -0.74 0.11 -1.37 0.28 -2.00 0.00 0.00 178.31 174.59 1iy9 h VAL 271 N 0.00 1.31 -0.68 0.88 2.07 -1.02 -3.28 116.25 115.53 1iy9 h VAL 271 Ca -0.00 -2.67 -0.01 0.00 0.82 0.00 0.00 66.70 64.85 1iy9 h VAL 271 Cb 0.39 2.91 -0.03 0.00 -1.52 0.00 0.00 31.29 33.03 1iy9 h VAL 271 CO 0.01 0.80 0.40 0.28 0.02 0.00 0.00 177.57 179.08 1iy9 h SER 272 N 0.18 0.82 -0.47 0.57 0.02 -1.08 -1.71 113.55 111.88 1iy9 h SER 272 Ca -0.22 -0.07 0.14 0.00 -0.84 0.00 0.00 61.79 60.80 1iy9 h SER 272 Cb 2.05 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 64.37 1iy9 h SER 272 CO 0.25 0.65 0.51 0.44 -1.14 0.00 0.00 176.83 177.55 1iy9 h ASP 273 N 0.92 0.00 0.68 3.07 5.19 -1.50 -0.32 116.42 124.46 1iy9 h ASP 273 Ca 0.24 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.51 1iy9 h ASP 273 Cb -0.01 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 1iy9 h ASP 273 CO -0.04 0.00 -0.66 -0.07 -3.12 0.00 0.00 179.24 175.35 1iy9 h LEU 274 N 0.00 0.00 -1.61 1.55 3.38 -1.38 -3.52 115.31 113.73 1iy9 h LEU 274 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1iy9 h LEU 274 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1iy9 h LEU 274 CO -0.00 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.18