#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1im9 s LYS 7 N 0.00 4.10 0.00 2.89 -2.85 -1.26 -4.06 119.74 118.56 1im9 s LYS 7 Ca 0.00 0.62 0.00 0.00 -1.00 0.00 0.00 55.97 55.59 1im9 s LYS 7 Cb 0.00 -3.23 0.00 0.00 -2.06 0.00 0.00 37.83 32.54 1im9 s LYS 7 CO 0.00 0.65 0.00 -0.35 0.10 0.00 0.00 175.35 175.75 1im9 n PRO 8 N 1.79 0.06 -4.54 1.78 -0.04 -1.26 -4.94 135.00 127.84 1im9 n PRO 8 Ca -0.12 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.08 1im9 n PRO 8 Cb 0.51 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.84 1im9 n PRO 8 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1im9 s SER 9 N -1.14 2.70 -0.08 3.54 0.15 -0.50 -4.46 113.70 113.91 1im9 s SER 9 Ca 0.00 -0.61 -0.01 0.00 0.70 0.00 0.00 55.95 56.03 1im9 s SER 9 Cb 0.00 -0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.14 1im9 s SER 9 CO 0.00 0.15 -0.02 -0.22 1.20 0.00 0.00 173.24 174.35 1im9 s LEU 10 N -1.51 0.73 0.09 3.45 2.96 -1.26 -2.19 118.68 120.95 1im9 s LEU 10 Ca 0.09 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1im9 s LEU 10 Cb -0.09 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 46.02 1im9 s LEU 10 CO 0.03 -0.18 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.05 1im9 s LEU 11 N 1.91 2.48 0.03 -0.68 1.43 -0.17 -4.93 118.68 118.74 1im9 s LEU 11 Ca 0.05 -0.94 0.07 0.00 -1.03 0.00 0.00 54.13 52.27 1im9 s LEU 11 Cb -0.12 -0.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.98 1im9 s LEU 11 CO -0.06 -0.43 -0.18 0.00 0.23 0.00 0.00 176.35 175.91 1im9 s ALA 12 N -3.32 2.58 -0.03 4.21 0.00 -1.26 -0.07 121.76 123.86 1im9 s ALA 12 Ca 0.09 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1im9 s ALA 12 Cb 0.03 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1im9 s ALA 12 CO -0.04 0.57 -0.05 -1.01 0.00 0.00 0.00 175.76 175.23 1im9 s HIS 13 N -0.88 0.64 0.21 0.00 3.76 0.07 -3.25 115.29 115.83 1im9 s HIS 13 Ca 0.14 -0.15 0.36 0.00 -0.15 0.00 0.00 55.06 55.26 1im9 s HIS 13 Cb -0.10 -0.54 1.57 0.00 1.11 0.00 0.00 32.58 34.62 1im9 s HIS 13 CO 0.04 -0.13 2.06 -1.00 -0.85 0.00 0.00 174.74 174.87 1im9 h PRO 14 N 6.82 0.00 0.00 8.40 0.13 -1.86 -0.85 132.00 144.64 1im9 h PRO 14 Ca -0.36 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.97 1im9 h PRO 14 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1im9 h PRO 14 CO 0.48 0.00 0.60 0.41 -0.23 0.00 0.00 178.00 179.26 1im9 n GLY 15 N -0.18 0.54 0.13 1.56 0.00 -1.20 -5.06 105.19 100.98 1im9 n GLY 15 Ca -0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1im9 n GLY 15 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1im9 h PRO 16 N 0.00 0.27 -5.32 1.61 0.11 -1.88 -3.41 132.00 123.39 1im9 h PRO 16 Ca -0.20 -0.31 -0.70 0.00 0.11 0.00 0.00 66.00 64.89 1im9 h PRO 16 Cb 0.98 0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.05 1im9 h PRO 16 CO 0.28 1.04 1.63 -0.51 -0.21 0.00 0.00 178.00 180.23 1im9 s LEU 17 N -7.46 4.46 0.32 2.35 1.43 -1.26 -2.39 118.68 116.13 1im9 s LEU 17 Ca -0.04 -2.56 -0.27 0.00 -1.03 0.00 0.00 54.13 50.24 1im9 s LEU 17 Cb 0.09 -2.48 -0.09 0.00 0.03 0.00 0.00 46.19 43.74 1im9 s LEU 17 CO 0.85 -1.00 1.02 -0.69 0.23 0.00 0.00 176.35 176.75 1im9 s VAL 18 N 2.98 3.85 0.40 -1.59 1.01 -0.46 -4.81 120.40 121.78 1im9 s VAL 18 Ca 0.46 1.62 -0.08 0.00 0.00 0.00 0.00 61.98 63.98 1im9 s VAL 18 Cb -0.00 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1im9 s VAL 18 CO 0.01 0.20 0.73 -0.54 0.00 0.00 0.00 175.10 175.51 1im9 s LYS 19 N -1.92 3.69 0.16 2.72 1.02 -1.26 0.16 119.74 124.31 1im9 s LYS 19 Ca 0.50 0.32 -0.31 0.00 0.02 0.00 0.00 55.97 56.49 1im9 s LYS 19 Cb -0.24 -2.43 -0.11 0.00 -0.52 0.00 0.00 37.83 34.53 1im9 s LYS 19 CO 0.31 -0.03 1.72 0.45 -0.92 0.00 0.00 175.35 176.87 1im9 s SER 20 N -3.40 6.45 0.00 2.83 0.15 -1.07 -2.09 113.70 116.57 1im9 s SER 20 Ca 0.49 2.75 0.00 0.00 0.70 0.00 0.00 55.95 59.89 1im9 s SER 20 Cb -0.10 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1im9 s SER 20 CO 0.34 -0.95 0.00 -0.62 1.20 0.00 0.00 173.24 173.22 1im9 n GLU 21 N 4.67 0.00 0.00 5.44 -0.58 -0.52 -4.92 120.64 124.73 1im9 n GLU 21 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1im9 n GLU 21 Cb 0.37 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 1im9 n GLU 21 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1im9 n GLU 22 N -2.00 0.97 -4.28 3.49 -0.58 -0.89 -3.97 120.64 113.38 1im9 n GLU 22 Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 1im9 n GLU 22 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 1im9 n GLU 22 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1im9 s THR 23 N -0.02 0.45 -0.10 2.62 -1.32 -1.24 -0.98 115.64 115.05 1im9 s THR 23 Ca 0.00 -1.99 -0.32 0.00 -1.21 0.00 0.00 61.69 58.17 1im9 s THR 23 Cb 0.00 -2.52 0.12 0.00 -1.51 0.00 0.00 72.50 68.59 1im9 s THR 23 CO 0.00 -0.08 1.04 0.54 -2.21 0.00 0.00 174.62 173.91 1im9 s VAL 24 N -3.83 0.00 -0.10 5.08 0.11 -0.75 -4.79 120.40 116.12 1im9 s VAL 24 Ca 0.36 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.43 1im9 s VAL 24 Cb 0.07 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1im9 s VAL 24 CO 0.12 0.00 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.11 1im9 s ILE 25 N -2.70 1.43 -0.17 7.04 1.09 -0.32 -1.15 121.20 126.42 1im9 s ILE 25 Ca 0.07 -0.61 -0.09 0.00 -1.10 0.00 0.00 60.65 58.92 1im9 s ILE 25 Cb -0.01 -1.31 -0.05 0.00 -1.06 0.00 0.00 42.46 40.03 1im9 s ILE 25 CO -0.07 0.43 0.14 -0.76 -0.10 0.00 0.00 174.94 174.58 1im9 s LEU 26 N 0.97 4.29 -0.04 2.97 1.02 -0.13 -0.75 118.68 127.00 1im9 s LEU 26 Ca -0.07 0.34 0.02 0.00 0.02 0.00 0.00 54.13 54.43 1im9 s LEU 26 Cb -0.15 -2.09 0.02 0.00 0.02 0.00 0.00 46.19 43.99 1im9 s LEU 26 CO -0.01 0.28 -0.07 -1.58 0.02 0.00 0.00 176.35 174.99 1im9 s GLN 27 N -0.23 1.04 0.11 1.70 0.74 0.90 -0.55 119.66 123.38 1im9 s GLN 27 Ca 0.11 -0.21 0.05 0.00 0.05 0.00 0.00 55.36 55.36 1im9 s GLN 27 Cb -0.11 -0.96 -0.04 0.00 1.10 0.00 0.00 33.01 32.99 1im9 s GLN 27 CO 0.01 -0.02 0.05 0.00 -0.55 0.00 0.00 175.29 174.78 1im9 s TRP 29 N -1.48 -0.20 0.09 0.00 1.48 -0.93 -0.67 118.94 117.23 1im9 s TRP 29 Ca 0.28 0.36 -0.14 0.00 -1.06 0.00 0.00 56.10 55.55 1im9 s TRP 29 Cb -0.11 0.47 0.02 0.00 -1.16 0.00 0.00 33.47 32.69 1im9 s TRP 29 CO 0.20 -0.16 0.32 0.45 -4.06 0.00 0.00 176.95 173.70 1im9 s SER 30 N -0.85 -0.11 0.00 -2.66 0.15 -0.08 -1.40 113.70 108.74 1im9 s SER 30 Ca 0.04 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1im9 s SER 30 Cb -0.01 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1im9 s SER 30 CO -0.05 -0.76 0.68 -0.90 1.20 0.00 0.00 173.24 173.42 1im9 n ASP 31 N 0.02 0.52 -4.44 5.45 5.68 -1.26 -1.93 116.55 120.59 1im9 n ASP 31 Ca -0.16 -1.89 -0.33 0.00 -0.50 0.00 0.00 54.79 51.91 1im9 n ASP 31 Cb 0.62 -0.26 -0.14 0.00 -1.14 0.00 0.00 41.12 40.21 1im9 n ASP 31 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1im9 s VAL 32 N -1.45 2.95 -0.65 2.12 1.01 -1.26 -4.86 120.40 118.26 1im9 s VAL 32 Ca 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 1im9 s VAL 32 Cb 0.00 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.24 1im9 s VAL 32 CO 0.00 0.58 1.41 -0.04 0.00 0.00 0.00 175.10 177.05 1im9 s MET 33 N -0.55 3.17 -0.20 2.72 -1.94 -1.26 -4.18 119.30 117.06 1im9 s MET 33 Ca 0.08 0.17 -0.07 0.00 -1.71 0.00 0.00 55.69 54.16 1im9 s MET 33 Cb -0.11 -4.18 -0.03 0.00 2.01 0.00 0.00 34.83 32.51 1im9 s MET 33 CO 0.01 -2.13 0.05 -0.06 -0.01 0.00 0.00 175.02 172.88 1im9 s PHE 34 N 6.31 3.16 0.32 -0.03 0.08 -1.26 -4.78 117.98 121.77 1im9 s PHE 34 Ca 0.47 -0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.41 1im9 s PHE 34 Cb -0.10 -2.10 0.61 0.00 -0.57 0.00 0.00 43.02 40.86 1im9 s PHE 34 CO 0.20 -0.03 1.90 1.05 -0.10 0.00 0.00 175.22 178.24 1im9 h GLU 35 N 7.14 0.91 0.00 0.44 -0.00 -1.82 -3.41 114.58 117.84 1im9 h GLU 35 Ca -0.36 -0.05 -0.20 0.00 -0.00 0.00 0.00 59.36 58.74 1im9 h GLU 35 Cb 1.17 -0.20 -0.04 0.00 -0.00 0.00 0.00 28.75 29.68 1im9 h GLU 35 CO 0.65 0.60 -0.04 -2.39 -0.00 0.00 0.00 179.01 177.83 1im9 n HIS 36 N -4.51 -1.60 -4.08 2.06 1.44 -1.18 -2.24 115.22 105.11 1im9 n HIS 36 Ca 0.15 -2.06 -0.13 0.00 -2.01 0.00 0.00 57.72 53.66 1im9 n HIS 36 Cb 0.26 0.60 -0.12 0.00 0.12 0.00 0.00 29.99 30.85 1im9 n HIS 36 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1im9 s PHE 37 N -3.01 0.63 -0.16 -1.40 0.40 -0.03 -2.37 117.98 112.05 1im9 s PHE 37 Ca 0.24 -0.44 -0.01 0.00 -0.60 0.00 0.00 56.93 56.12 1im9 s PHE 37 Cb -0.02 -0.38 -0.01 0.00 0.51 0.00 0.00 43.02 43.12 1im9 s PHE 37 CO 0.17 -0.07 -0.12 -0.51 0.70 0.00 0.00 175.22 175.39 1im9 s LEU 38 N -1.36 2.66 -0.21 -0.37 1.43 0.27 -0.77 118.68 120.33 1im9 s LEU 38 Ca -0.08 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1im9 s LEU 38 Cb -0.09 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1im9 s LEU 38 CO 0.00 0.10 -0.06 -0.22 0.23 0.00 0.00 176.35 176.40 1im9 s LEU 39 N 0.74 2.82 -0.11 1.79 2.96 0.94 0.21 118.68 128.03 1im9 s LEU 39 Ca -0.05 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1im9 s LEU 39 Cb -0.15 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1im9 s LEU 39 CO 0.01 -0.01 -0.19 -2.28 -1.32 0.00 0.00 176.35 172.56 1im9 s HIS 40 N 1.42 2.67 -0.16 5.38 5.65 -0.68 0.69 115.29 130.27 1im9 s HIS 40 Ca 0.05 -0.87 -0.03 0.00 0.25 0.00 0.00 55.06 54.47 1im9 s HIS 40 Cb -0.14 -1.77 -0.02 0.00 -1.18 0.00 0.00 32.58 29.47 1im9 s HIS 40 CO -0.04 -0.33 -0.07 0.50 -0.65 0.00 0.00 174.74 174.16 1im9 s ARG 41 N 0.33 3.55 -0.29 2.88 3.52 0.38 -1.72 118.95 127.61 1im9 s ARG 41 Ca -0.15 -0.58 -0.09 0.00 -0.13 0.00 0.00 55.73 54.78 1im9 s ARG 41 Cb -0.17 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.36 1im9 s ARG 41 CO 0.08 0.18 0.13 -2.00 -0.81 0.00 0.00 175.30 172.88 1im9 s GLU 42 N 0.49 3.50 0.00 5.12 2.56 -0.11 -2.07 118.70 128.19 1im9 s GLU 42 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 54.97 54.32 1im9 s GLU 42 Cb -0.15 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.48 1im9 s GLU 42 CO 0.03 -0.32 0.00 0.41 -0.56 0.00 0.00 175.26 174.82 1im9 n GLY 43 N 4.97 1.56 0.34 -1.50 0.00 -1.26 -2.05 105.19 107.25 1im9 n GLY 43 Ca -0.15 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.13 1im9 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1im9 h MET 44 N 0.00 0.26 -3.26 1.61 -0.00 -1.93 -3.20 114.93 108.42 1im9 h MET 44 Ca 0.00 -0.02 -0.63 0.00 -0.00 0.00 0.00 59.70 59.05 1im9 h MET 44 Cb 0.00 -0.06 -0.41 0.00 -0.00 0.00 0.00 31.60 31.13 1im9 h MET 44 CO 0.00 0.17 -0.60 -0.06 -0.00 0.00 0.00 176.91 176.42 1im9 s PHE 45 N -5.26 3.35 0.80 -0.10 0.08 -1.26 -5.10 117.98 110.48 1im9 s PHE 45 Ca -0.07 -3.24 -0.11 0.00 0.12 0.00 0.00 56.93 53.63 1im9 s PHE 45 Cb 0.19 -2.78 0.07 0.00 -0.57 0.00 0.00 43.02 39.93 1im9 s PHE 45 CO 0.73 -0.66 1.11 -0.80 -0.10 0.00 0.00 175.22 175.50 1im9 s ASN 46 N -0.77 4.16 -0.19 1.36 0.01 -1.21 -4.86 114.94 113.43 1im9 s ASN 46 Ca 0.20 1.94 -0.31 0.00 -0.71 0.00 0.00 52.86 53.98 1im9 s ASN 46 Cb -0.17 -2.54 0.15 0.00 0.41 0.00 0.00 41.25 39.10 1im9 s ASN 46 CO -0.07 -2.27 1.15 -0.62 -1.51 0.00 0.00 177.10 173.78 1im9 s ASP 47 N -3.14 -0.21 -0.09 -1.22 2.15 -0.88 -4.98 116.67 108.31 1im9 s ASP 47 Ca 0.63 0.16 0.01 0.00 0.43 0.00 0.00 52.55 53.78 1im9 s ASP 47 Cb -0.19 0.19 0.02 0.00 -0.30 0.00 0.00 42.92 42.64 1im9 s ASP 47 CO 0.55 -0.25 -0.10 -0.89 -0.17 0.00 0.00 175.17 174.31 1im9 s THR 48 N -1.61 1.09 -0.09 1.71 2.01 -1.26 -0.47 115.64 117.03 1im9 s THR 48 Ca 0.05 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1im9 s THR 48 Cb -0.01 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 1im9 s THR 48 CO -0.04 0.36 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.35 1im9 s LEU 49 N 1.10 2.72 -0.21 4.42 1.43 0.22 -4.93 118.68 123.43 1im9 s LEU 49 Ca -0.06 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 1im9 s LEU 49 Cb -0.14 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1im9 s LEU 49 CO -0.01 0.26 0.37 -0.60 0.23 0.00 0.00 176.35 176.59 1im9 s ARG 50 N -0.22 4.15 -0.13 1.70 3.52 -1.26 -0.04 118.95 126.66 1im9 s ARG 50 Ca 0.01 0.13 0.01 0.00 -0.13 0.00 0.00 55.73 55.75 1im9 s ARG 50 Cb -0.13 -3.55 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1im9 s ARG 50 CO 0.03 -0.05 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.79 1im9 s LEU 51 N 1.36 1.82 0.21 -0.88 1.43 0.05 -5.00 118.68 117.67 1im9 s LEU 51 Ca 0.17 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 1im9 s LEU 51 Cb -0.15 -1.21 -0.09 0.00 0.03 0.00 0.00 46.19 44.77 1im9 s LEU 51 CO 0.08 0.01 1.35 -0.63 0.23 0.00 0.00 176.35 177.39 1im9 s ILE 52 N 1.11 3.06 0.17 -0.59 1.01 -1.26 -0.85 121.20 123.84 1im9 s ILE 52 Ca -0.03 0.87 -0.11 0.00 0.00 0.00 0.00 60.65 61.38 1im9 s ILE 52 Cb -0.14 -3.56 -0.07 0.00 0.01 0.00 0.00 42.46 38.70 1im9 s ILE 52 CO -0.05 0.13 0.52 -0.83 0.00 0.00 0.00 174.94 174.71 1im9 s GLY 53 N 0.39 2.36 -0.18 6.18 0.00 -0.95 -4.71 107.32 110.41 1im9 s GLY 53 Ca 0.58 -0.24 -0.06 0.00 0.00 0.00 0.00 44.72 45.00 1im9 s GLY 53 CO 0.39 -0.03 0.01 -0.54 0.00 0.00 0.00 173.10 172.93 1im9 s GLU 54 N -2.31 3.77 -0.24 2.90 2.02 0.21 -4.89 118.70 120.16 1im9 s GLU 54 Ca 0.41 -0.45 -0.10 0.00 0.02 0.00 0.00 54.97 54.85 1im9 s GLU 54 Cb -0.13 -3.08 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 1im9 s GLU 54 CO 0.20 0.19 0.15 -1.01 0.02 0.00 0.00 175.26 174.80 1im9 s HIS 55 N 0.55 3.27 -0.37 1.61 3.76 -1.26 -1.46 115.29 121.40 1im9 s HIS 55 Ca 0.00 0.13 0.07 0.00 -0.15 0.00 0.00 55.06 55.11 1im9 s HIS 55 Cb -0.14 -2.27 0.19 0.00 1.11 0.00 0.00 32.58 31.47 1im9 s HIS 55 CO 0.02 -0.01 0.61 -1.58 -0.85 0.00 0.00 174.74 172.93 1im9 s HIS 56 N 1.17 -1.74 0.00 1.40 5.04 -0.32 -4.94 115.29 115.90 1im9 s HIS 56 Ca 0.07 0.52 0.00 0.00 -1.54 0.00 0.00 55.06 54.11 1im9 s HIS 56 Cb -0.14 0.30 0.00 0.00 0.04 0.00 0.00 32.58 32.78 1im9 s HIS 56 CO 0.05 -1.14 0.00 -0.25 -2.34 0.00 0.00 174.74 171.06 1im9 n ASP 57 N 4.76 -1.62 -3.00 9.88 8.00 -1.26 -3.97 116.55 129.35 1im9 n ASP 57 Ca 0.09 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.39 1im9 n ASP 57 Cb 0.56 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1im9 n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1im9 n GLY 58 N -0.97 -0.50 2.69 0.44 0.00 -1.26 -4.94 105.19 100.66 1im9 n GLY 58 Ca 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1im9 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1im9 s VAL 59 N -2.88 -0.12 -0.14 1.61 1.01 -1.25 -4.69 120.40 113.94 1im9 s VAL 59 Ca 0.25 0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 1im9 s VAL 59 Cb -0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 1im9 s VAL 59 CO 0.31 0.17 0.30 -0.55 0.00 0.00 0.00 175.10 175.33 1im9 s SER 60 N 2.10 6.48 0.10 3.32 0.15 -0.81 -1.17 113.70 123.87 1im9 s SER 60 Ca 0.04 0.57 -0.15 0.00 0.70 0.00 0.00 55.95 57.11 1im9 s SER 60 Cb -0.12 -2.18 0.03 0.00 -1.71 0.00 0.00 66.02 62.03 1im9 s SER 60 CO -0.03 0.15 0.35 -1.59 1.20 0.00 0.00 173.24 173.32 1im9 s LYS 61 N 0.17 0.98 0.09 5.44 -2.85 -0.53 -0.91 119.74 122.13 1im9 s LYS 61 Ca 0.17 -0.70 -0.13 0.00 -1.00 0.00 0.00 55.97 54.32 1im9 s LYS 61 Cb -0.13 0.43 0.02 0.00 -2.06 0.00 0.00 37.83 36.08 1im9 s LYS 61 CO 0.05 -0.36 0.30 0.00 0.10 0.00 0.00 175.35 175.44 1im9 s ALA 62 N -3.54 -0.63 -0.01 0.59 0.00 0.15 -0.62 121.76 117.69 1im9 s ALA 62 Ca 0.02 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.80 1im9 s ALA 62 Cb 0.02 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 1im9 s ALA 62 CO -0.10 -0.52 -0.10 -0.80 0.00 0.00 0.00 175.76 174.24 1im9 s ASN 63 N -2.57 1.25 -0.15 0.00 0.01 -1.26 -1.41 114.94 110.80 1im9 s ASN 63 Ca 0.01 -0.19 -0.02 0.00 -0.71 0.00 0.00 52.86 51.95 1im9 s ASN 63 Cb 0.02 -0.19 -0.02 0.00 0.41 0.00 0.00 41.25 41.47 1im9 s ASN 63 CO -0.09 0.11 -0.08 0.12 -1.51 0.00 0.00 177.10 175.65 1im9 s PHE 64 N -0.13 2.91 -0.07 2.20 5.36 0.29 -4.98 117.98 123.56 1im9 s PHE 64 Ca 0.02 -0.54 0.03 0.00 -0.96 0.00 0.00 56.93 55.48 1im9 s PHE 64 Cb -0.05 -1.92 -0.02 0.00 -0.34 0.00 0.00 43.02 40.69 1im9 s PHE 64 CO -0.00 -0.18 -0.18 -1.12 -1.46 0.00 0.00 175.22 172.28 1im9 s SER 65 N 0.49 3.69 -0.29 6.13 0.01 -1.26 -0.95 113.70 121.51 1im9 s SER 65 Ca -0.06 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.86 1im9 s SER 65 Cb -0.15 -1.05 0.06 0.00 0.21 0.00 0.00 66.02 65.09 1im9 s SER 65 CO 0.04 0.26 -0.03 -0.63 0.41 0.00 0.00 173.24 173.29 1im9 s ILE 66 N -0.24 2.60 -0.01 1.44 1.01 -0.30 -4.99 121.20 120.71 1im9 s ILE 66 Ca 0.00 -1.62 -0.22 0.00 0.00 0.00 0.00 60.65 58.81 1im9 s ILE 66 Cb -0.13 -2.57 -0.13 0.00 0.01 0.00 0.00 42.46 39.64 1im9 s ILE 66 CO 0.03 -0.15 0.96 0.28 0.00 0.00 0.00 174.94 176.06 1im9 h SER 67 N 7.87 -0.54 -3.82 3.58 0.02 -1.85 -1.99 113.55 116.82 1im9 h SER 67 Ca -0.18 -0.05 -0.67 0.00 -0.84 0.00 0.00 61.79 60.05 1im9 h SER 67 Cb 1.05 0.14 -0.38 0.00 0.14 0.00 0.00 62.40 63.35 1im9 h SER 67 CO 0.51 -0.14 -0.78 -0.60 -1.14 0.00 0.00 176.83 174.69 1im9 s ARG 68 N -4.13 2.01 0.20 3.45 3.52 -1.25 -3.63 118.95 119.12 1im9 s ARG 68 Ca -0.12 -1.50 -0.31 0.00 -0.13 0.00 0.00 55.73 53.67 1im9 s ARG 68 Cb 0.01 -2.98 -0.10 0.00 -1.56 0.00 0.00 34.95 30.33 1im9 s ARG 68 CO 0.40 -0.68 1.51 1.41 -0.81 0.00 0.00 175.30 177.13 1im9 s MET 69 N 1.05 4.24 0.26 5.12 -2.45 -0.16 -4.82 119.30 122.54 1im9 s MET 69 Ca -0.03 2.33 0.02 0.00 -1.25 0.00 0.00 55.69 56.76 1im9 s MET 69 Cb -0.20 -3.14 -0.05 0.00 1.25 0.00 0.00 34.83 32.69 1im9 s MET 69 CO -0.06 -0.53 0.07 0.95 1.05 0.00 0.00 175.02 176.51 1im9 s THR 70 N 0.66 0.74 0.14 10.11 -4.23 -1.26 -1.44 115.64 120.36 1im9 s THR 70 Ca 0.65 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.98 1im9 s THR 70 Cb -0.43 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 1im9 s THR 70 CO 0.36 -0.06 1.78 1.56 -0.54 0.00 0.00 174.62 177.72 1im9 h GLN 71 N 2.36 0.41 0.00 3.99 4.20 -1.98 -2.87 115.11 121.22 1im9 h GLN 71 Ca -0.39 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1im9 h GLN 71 Cb 1.24 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1im9 h GLN 71 CO 0.63 0.29 0.03 -0.40 -0.67 0.00 0.00 178.83 178.71 1im9 n ASP 72 N -4.86 0.00 -0.33 1.46 5.68 -1.26 -0.92 116.55 116.32 1im9 n ASP 72 Ca -0.01 0.14 0.04 0.00 -0.50 0.00 0.00 54.79 54.46 1im9 n ASP 72 Cb 0.03 -0.14 0.04 0.00 -1.14 0.00 0.00 41.12 39.91 1im9 n ASP 72 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1im9 n LEU 73 N -1.09 1.74 -4.82 -2.12 4.77 -1.08 -4.65 117.00 109.74 1im9 n LEU 73 Ca 0.00 -1.07 -0.34 0.00 -0.03 0.00 0.00 56.01 54.57 1im9 n LEU 73 Cb 0.03 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1im9 n LEU 73 CO 0.00 0.36 0.51 0.00 -1.33 0.00 0.00 177.39 176.92 1im9 s ALA 74 N -0.70 3.26 0.00 -1.18 0.00 -0.10 -4.92 121.76 118.13 1im9 s ALA 74 Ca 0.10 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1im9 s ALA 74 Cb 0.07 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1im9 s ALA 74 CO 0.10 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.53 1im9 n GLY 75 N -0.03 -0.39 3.66 0.00 0.00 -0.64 -4.70 105.19 103.08 1im9 n GLY 75 Ca 0.03 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 1im9 n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1im9 s THR 76 N -2.87 5.23 0.05 2.61 2.01 -0.87 -0.82 115.64 120.98 1im9 s THR 76 Ca 0.00 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.17 1im9 s THR 76 Cb 0.00 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1im9 s THR 76 CO 0.00 0.38 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.96 1im9 s TYR 77 N 0.86 2.92 -0.01 4.92 1.51 0.52 -0.94 117.35 127.13 1im9 s TYR 77 Ca 0.07 -0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 1im9 s TYR 77 Cb -0.13 -1.56 0.01 0.00 -0.11 0.00 0.00 41.96 40.16 1im9 s TYR 77 CO 0.03 0.43 -0.00 1.03 -1.11 0.00 0.00 175.55 175.92 1im9 s ARG 78 N -1.86 0.08 -0.16 -0.62 0.52 -0.70 -0.70 118.95 115.51 1im9 s ARG 78 Ca 0.21 0.00 -0.05 0.00 -0.52 0.00 0.00 55.73 55.38 1im9 s ARG 78 Cb -0.11 -0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.20 1im9 s ARG 78 CO 0.12 -0.01 -0.01 0.00 0.02 0.00 0.00 175.30 175.42 1im9 s TYR 80 N 0.38 2.73 -0.12 0.00 1.51 0.13 -0.98 117.35 121.00 1im9 s TYR 80 Ca -0.02 -0.50 -0.04 0.00 -1.01 0.00 0.00 57.07 55.50 1im9 s TYR 80 Cb -0.14 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1im9 s TYR 80 CO 0.02 -0.08 0.04 0.20 -1.11 0.00 0.00 175.55 174.62 1im9 s GLY 81 N -0.07 1.93 -0.07 0.71 0.00 -1.26 0.97 107.32 109.53 1im9 s GLY 81 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1im9 s GLY 81 CO 0.04 -0.38 -0.05 -0.45 0.00 0.00 0.00 173.10 172.25 1im9 s SER 82 N -0.62 1.50 0.61 1.64 0.15 -1.00 0.23 113.70 116.21 1im9 s SER 82 Ca 0.11 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1im9 s SER 82 Cb -0.12 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1im9 s SER 82 CO 0.02 -0.09 0.00 0.52 1.20 0.00 0.00 173.24 174.90 1im9 n VAL 83 N 4.45 0.00 0.00 4.45 0.31 -1.26 -2.65 118.33 123.63 1im9 n VAL 83 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1im9 n VAL 83 Cb 0.51 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 1im9 n VAL 83 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1im9 n THR 84 N -1.58 0.00 -0.07 2.52 -1.04 -1.26 -3.99 114.28 108.86 1im9 n THR 84 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1im9 n THR 84 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1im9 n THR 84 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1im9 n HIS 85 N -0.36 0.00 -2.67 -1.42 -0.00 -1.26 -4.95 115.22 104.57 1im9 n HIS 85 Ca 0.00 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.77 1im9 n HIS 85 Cb 0.00 -0.50 -0.05 0.00 -0.12 0.00 0.00 29.99 29.33 1im9 n HIS 85 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1im9 s SER 86 N -3.00 7.47 0.66 0.26 0.01 -1.26 -5.02 113.70 112.82 1im9 s SER 86 Ca 0.00 1.93 -0.17 0.00 1.31 0.00 0.00 55.95 59.02 1im9 s SER 86 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 1im9 s SER 86 CO 0.00 -0.05 1.09 -2.65 0.41 0.00 0.00 173.24 172.04 1im9 n PRO 87 N 2.26 0.83 -2.57 12.44 -0.02 -1.26 -3.87 135.00 142.81 1im9 n PRO 87 Ca 0.01 0.34 -0.21 0.00 -2.02 0.00 0.00 63.50 61.62 1im9 n PRO 87 Cb 0.48 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1im9 n PRO 87 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1im9 n TYR 88 N -2.08 -1.29 -3.25 6.00 4.01 -1.26 -4.94 117.16 114.34 1im9 n TYR 88 Ca 0.14 0.13 -0.25 0.00 -0.16 0.00 0.00 57.90 57.77 1im9 n TYR 88 Cb 0.48 -3.98 -0.08 0.00 -0.31 0.00 0.00 39.34 35.46 1im9 n TYR 88 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1im9 n GLN 89 N -3.26 0.51 -3.37 -0.72 1.13 -1.25 -5.12 117.38 105.30 1im9 n GLN 89 Ca -0.20 -3.17 -0.21 0.00 -1.94 0.00 0.00 57.00 51.47 1im9 n GLN 89 Cb 0.66 -1.39 0.01 0.00 0.11 0.00 0.00 30.24 29.64 1im9 n GLN 89 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1im9 n VAL 90 N 1.95 0.00 -2.78 5.09 0.24 -1.26 -4.29 118.33 117.28 1im9 n VAL 90 Ca 0.24 -1.82 -0.15 0.00 -2.04 0.00 0.00 64.34 60.57 1im9 n VAL 90 Cb 0.51 -0.16 0.07 0.00 -1.47 0.00 0.00 33.84 32.79 1im9 n VAL 90 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1im9 n SER 91 N -1.93 1.26 -4.70 -1.34 3.41 0.14 -4.97 113.62 105.49 1im9 n SER 91 Ca 0.00 -1.97 -0.32 0.00 -0.26 0.00 0.00 58.87 56.32 1im9 n SER 91 Cb 0.53 -0.38 0.14 0.00 -0.26 0.00 0.00 64.21 64.23 1im9 n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1im9 s ALA 92 N -2.77 1.75 0.47 7.33 0.00 -1.26 -4.62 121.76 122.66 1im9 s ALA 92 Ca 0.46 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.91 1im9 s ALA 92 Cb -0.03 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1im9 s ALA 92 CO 0.30 -2.40 0.87 -1.25 0.00 0.00 0.00 175.76 173.28 1im9 s PRO 93 N -4.51 3.82 0.79 0.00 0.04 -1.26 -4.39 135.00 129.49 1im9 s PRO 93 Ca 0.68 0.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 1im9 s PRO 93 Cb -0.23 -2.27 0.06 0.00 0.04 0.00 0.00 34.50 32.10 1im9 s PRO 93 CO 0.55 -0.18 1.10 -1.54 0.04 0.00 0.00 177.00 176.97 1im9 s SER 94 N -3.24 4.59 0.65 6.66 1.04 -0.16 -4.65 113.70 118.59 1im9 s SER 94 Ca 0.54 1.28 -0.18 0.00 0.48 0.00 0.00 55.95 58.07 1im9 s SER 94 Cb -0.10 -2.01 -0.01 0.00 0.10 0.00 0.00 66.02 63.99 1im9 s SER 94 CO 0.34 -1.90 1.25 0.47 0.98 0.00 0.00 173.24 174.37 1im9 n ASP 95 N -3.39 1.88 -4.77 7.02 8.00 -1.26 -4.48 116.55 119.55 1im9 n ASP 95 Ca 0.07 0.82 -0.34 0.00 0.71 0.00 0.00 54.79 56.05 1im9 n ASP 95 Cb 0.56 -1.54 0.03 0.00 -0.02 0.00 0.00 41.12 40.16 1im9 n ASP 95 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1im9 s PRO 96 N -3.34 3.02 -0.06 -0.24 0.04 -1.26 -4.69 135.00 128.47 1im9 s PRO 96 Ca 0.82 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 1im9 s PRO 96 Cb -0.38 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.22 1im9 s PRO 96 CO 0.41 -1.09 0.01 -1.17 0.04 0.00 0.00 177.00 175.20 1im9 s LEU 97 N -4.40 0.54 -0.16 -3.56 2.96 0.12 -4.96 118.68 109.23 1im9 s LEU 97 Ca 0.70 -0.05 -0.21 0.00 -0.22 0.00 0.00 54.13 54.36 1im9 s LEU 97 Cb -0.22 -0.36 -0.03 0.00 0.50 0.00 0.00 46.19 46.07 1im9 s LEU 97 CO 0.35 -0.20 0.61 -1.81 -1.32 0.00 0.00 176.35 173.99 1im9 s ASP 98 N 1.93 6.73 -0.36 3.68 1.01 -1.26 -0.36 116.67 128.05 1im9 s ASP 98 Ca 0.04 0.88 -0.09 0.00 0.71 0.00 0.00 52.55 54.09 1im9 s ASP 98 Cb -0.12 -2.35 0.04 0.00 1.01 0.00 0.00 42.92 41.50 1im9 s ASP 98 CO -0.04 -0.20 0.16 -0.63 0.21 0.00 0.00 175.17 174.67 1im9 s ILE 99 N 1.49 4.17 -0.14 0.77 -1.09 0.00 -4.79 121.20 121.61 1im9 s ILE 99 Ca 0.30 -1.03 -0.05 0.00 -2.23 0.00 0.00 60.65 57.63 1im9 s ILE 99 Cb -0.16 -3.36 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1im9 s ILE 99 CO 0.12 -0.23 0.05 -0.69 -1.23 0.00 0.00 174.94 172.95 1im9 s VAL 100 N 1.47 4.70 -0.24 2.92 1.01 -1.01 -1.62 120.40 127.63 1im9 s VAL 100 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 1im9 s VAL 100 Cb -0.20 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1im9 s VAL 100 CO 0.05 0.54 0.46 -0.51 0.00 0.00 0.00 175.10 175.64 1im9 s ILE 101 N -0.29 5.12 0.05 2.22 2.07 -0.95 -1.36 121.20 128.06 1im9 s ILE 101 Ca 0.08 0.79 0.01 0.00 -1.41 0.00 0.00 60.65 60.11 1im9 s ILE 101 Cb -0.12 -3.78 0.01 0.00 0.13 0.00 0.00 42.46 38.69 1im9 s ILE 101 CO 0.02 0.14 0.05 2.30 -1.91 0.00 0.00 174.94 175.54 1im9 n ILE 102 N 4.93 0.00 -2.34 2.00 -5.35 0.12 -1.84 119.36 116.88 1im9 n ILE 102 Ca -0.06 -0.17 -0.19 0.00 -0.27 0.00 0.00 62.75 62.06 1im9 n ILE 102 Cb 0.50 -0.68 -0.01 0.00 -1.74 0.00 0.00 39.64 37.71 1im9 n ILE 102 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1im9 n GLY 103 N 4.43 -0.37 0.08 3.28 0.00 0.02 -2.60 105.19 110.02 1im9 n GLY 103 Ca 0.01 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1im9 n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1im9 n LEU 104 N -2.67 0.54 -4.21 0.99 4.77 -0.97 -4.61 117.00 110.84 1im9 n LEU 104 Ca -0.22 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1im9 n LEU 104 Cb 0.67 0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 1im9 n LEU 104 CO 0.26 0.02 -0.37 -0.31 -1.33 0.00 0.00 177.39 175.65 1im9 s TYR 105 N -3.21 1.06 0.41 -1.77 2.02 -1.26 -4.92 117.35 109.67 1im9 s TYR 105 Ca -0.04 -0.92 -0.24 0.00 -0.37 0.00 0.00 57.07 55.50 1im9 s TYR 105 Cb 0.10 -0.59 -0.11 0.00 -0.40 0.00 0.00 41.96 40.95 1im9 s TYR 105 CO 0.83 -0.13 0.85 -0.85 -1.57 0.00 0.00 175.55 174.68 1im9 n GLU 106 N -0.13 1.05 -2.27 -0.62 0.28 -1.26 0.19 120.64 117.87 1im9 n GLU 106 Ca -0.10 0.38 -0.37 0.00 -0.16 0.00 0.00 57.16 56.91 1im9 n GLU 106 Cb 0.62 -1.83 -0.01 0.00 1.43 0.00 0.00 31.44 31.65 1im9 n GLU 106 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1im9 s LYS 107 N -1.83 3.71 0.59 3.44 -2.85 -1.26 -4.33 119.74 117.21 1im9 s LYS 107 Ca 0.63 1.74 -0.07 0.00 -1.00 0.00 0.00 55.97 57.27 1im9 s LYS 107 Cb -0.59 -2.35 -0.00 0.00 -2.06 0.00 0.00 37.83 32.83 1im9 s LYS 107 CO 0.57 -0.58 0.93 -2.14 0.10 0.00 0.00 175.35 174.23 1im9 s PRO 108 N -2.78 3.09 -0.16 1.78 0.02 -1.26 -4.97 135.00 130.72 1im9 s PRO 108 Ca 0.65 0.19 -0.07 0.00 0.02 0.00 0.00 61.00 61.79 1im9 s PRO 108 Cb -0.28 -2.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.98 1im9 s PRO 108 CO 0.33 -0.66 0.08 -1.54 -0.33 0.00 0.00 177.00 174.88 1im9 s SER 109 N -4.27 5.82 -0.11 2.53 1.04 -0.85 -4.30 113.70 113.56 1im9 s SER 109 Ca 0.54 0.20 0.02 0.00 0.48 0.00 0.00 55.95 57.19 1im9 s SER 109 Cb -0.11 -1.93 -0.01 0.00 0.10 0.00 0.00 66.02 64.07 1im9 s SER 109 CO 0.47 0.26 -0.18 -0.22 0.98 0.00 0.00 173.24 174.55 1im9 s LEU 110 N -0.14 2.44 0.14 2.42 2.96 -1.26 -2.51 118.68 122.74 1im9 s LEU 110 Ca 0.08 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1im9 s LEU 110 Cb -0.12 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1im9 s LEU 110 CO 0.01 0.18 -0.10 -0.94 -1.32 0.00 0.00 176.35 174.18 1im9 s SER 111 N 0.23 1.71 -0.01 3.68 1.04 -1.17 -4.97 113.70 114.22 1im9 s SER 111 Ca -0.12 -1.00 0.07 0.00 0.48 0.00 0.00 55.95 55.39 1im9 s SER 111 Cb -0.16 0.00 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 1im9 s SER 111 CO 0.06 -0.34 -0.24 0.00 0.98 0.00 0.00 173.24 173.71 1im9 s ALA 112 N -3.31 1.97 0.01 5.32 0.00 -1.26 -1.74 121.76 122.75 1im9 s ALA 112 Ca 0.16 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 51.15 1im9 s ALA 112 Cb 0.03 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1im9 s ALA 112 CO -0.00 0.48 -0.22 -0.65 0.00 0.00 0.00 175.76 175.37 1im9 s GLN 113 N -0.66 1.64 0.52 0.00 -1.52 -0.15 -2.95 119.66 116.53 1im9 s GLN 113 Ca 0.09 -0.88 0.33 0.00 -1.95 0.00 0.00 55.36 52.95 1im9 s GLN 113 Cb -0.09 -1.67 1.35 0.00 -0.22 0.00 0.00 33.01 32.38 1im9 s GLN 113 CO -0.00 0.45 1.96 -1.00 -0.25 0.00 0.00 175.29 176.44 1im9 h PRO 114 N 5.24 0.00 -1.91 2.91 0.13 -1.86 0.16 132.00 136.67 1im9 h PRO 114 Ca -0.42 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 64.94 1im9 h PRO 114 Cb 1.14 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 1im9 h PRO 114 CO 0.46 0.00 0.65 0.20 -0.23 0.00 0.00 178.00 179.08 1im9 s GLY 115 N -4.10 -0.34 0.07 1.56 0.00 -1.15 -5.03 107.32 98.33 1im9 s GLY 115 Ca 0.01 0.63 0.12 0.00 0.00 0.00 0.00 44.72 45.49 1im9 s GLY 115 CO 0.52 0.16 1.37 -1.55 0.00 0.00 0.00 173.10 173.60 1im9 n PRO 116 N -0.40 0.04 -3.81 2.90 -0.04 -1.26 -4.46 135.00 127.98 1im9 n PRO 116 Ca -0.07 0.39 -0.29 0.00 -0.04 0.00 0.00 63.50 63.50 1im9 n PRO 116 Cb 0.61 -1.60 -0.16 0.00 -0.04 0.00 0.00 33.50 32.31 1im9 n PRO 116 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1im9 s THR 117 N -3.10 0.96 0.05 0.52 2.01 -1.26 -1.11 115.64 113.71 1im9 s THR 117 Ca 0.03 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.12 1im9 s THR 117 Cb 0.06 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 1im9 s THR 117 CO 0.19 -0.27 -0.15 0.68 -0.69 0.00 0.00 174.62 174.38 1im9 s VAL 118 N 1.64 1.17 0.47 3.82 -7.23 -0.89 -5.02 120.40 114.36 1im9 s VAL 118 Ca -0.00 -1.12 -0.22 0.00 -1.81 0.00 0.00 61.98 58.82 1im9 s VAL 118 Cb -0.18 -1.07 -0.08 0.00 0.56 0.00 0.00 36.38 35.61 1im9 s VAL 118 CO -0.11 -0.05 1.11 -0.22 -0.31 0.00 0.00 175.10 175.52 1im9 s LEU 119 N -1.35 3.95 0.61 1.32 0.20 -1.26 -2.93 118.68 119.22 1im9 s LEU 119 Ca 0.01 2.15 -0.18 0.00 0.69 0.00 0.00 54.13 56.80 1im9 s LEU 119 Cb -0.09 -4.36 -0.10 0.00 -0.43 0.00 0.00 46.19 41.21 1im9 s LEU 119 CO 0.02 -0.87 0.18 0.00 -0.29 0.00 0.00 176.35 175.39 1im9 n ALA 120 N -0.66 -2.28 0.00 5.97 0.00 -1.26 -1.46 120.51 120.82 1im9 n ALA 120 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1im9 n ALA 120 Cb 0.50 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1im9 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1im9 n GLY 121 N 2.15 2.63 3.59 0.00 0.00 -0.87 -4.92 105.19 107.78 1im9 n GLY 121 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1im9 n GLY 121 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1im9 s GLU 122 N 0.00 -0.05 -0.09 1.61 2.12 -0.53 -4.35 118.70 117.41 1im9 s GLU 122 Ca 0.00 0.83 0.02 0.00 0.36 0.00 0.00 54.97 56.18 1im9 s GLU 122 Cb 0.00 -1.66 -0.02 0.00 0.26 0.00 0.00 34.13 32.71 1im9 s GLU 122 CO 0.00 -3.14 -0.13 -0.80 -0.54 0.00 0.00 175.26 170.65 1im9 s ASN 123 N -2.91 4.07 0.16 -1.70 -0.87 -1.26 -0.52 114.94 111.90 1im9 s ASN 123 Ca 0.67 -0.25 0.05 0.00 -1.57 0.00 0.00 52.86 51.76 1im9 s ASN 123 Cb -0.22 -1.24 -0.05 0.00 -0.02 0.00 0.00 41.25 39.73 1im9 s ASN 123 CO 0.61 0.26 -0.10 0.68 -2.57 0.00 0.00 177.10 175.98 1im9 s VAL 124 N -0.21 1.20 -0.10 1.60 -7.23 -1.22 -4.40 120.40 110.04 1im9 s VAL 124 Ca 0.01 -2.07 -0.05 0.00 -1.81 0.00 0.00 61.98 58.06 1im9 s VAL 124 Cb -0.13 -1.91 0.05 0.00 0.56 0.00 0.00 36.38 34.95 1im9 s VAL 124 CO 0.03 -0.70 0.23 0.28 -0.31 0.00 0.00 175.10 174.63 1im9 s THR 125 N -3.31 -0.13 -0.12 5.32 -1.32 0.57 -1.99 115.64 114.66 1im9 s THR 125 Ca 0.18 0.19 -0.11 0.00 -1.21 0.00 0.00 61.69 60.75 1im9 s THR 125 Cb 0.03 -0.36 -0.05 0.00 -1.51 0.00 0.00 72.50 70.61 1im9 s THR 125 CO 0.02 0.08 0.23 -0.76 -2.21 0.00 0.00 174.62 171.97 1im9 s LEU 126 N 1.54 4.33 -0.19 9.08 1.43 0.66 -0.98 118.68 134.55 1im9 s LEU 126 Ca -0.06 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1im9 s LEU 126 Cb -0.11 -2.25 0.03 0.00 0.03 0.00 0.00 46.19 43.90 1im9 s LEU 126 CO -0.08 0.27 -0.14 -0.44 0.23 0.00 0.00 176.35 176.19 1im9 s SER 127 N -0.37 3.32 -0.14 2.29 0.01 -0.71 0.82 113.70 118.91 1im9 s SER 127 Ca 0.16 -0.80 -0.15 0.00 1.31 0.00 0.00 55.95 56.46 1im9 s SER 127 Cb -0.13 -1.34 -0.05 0.00 0.21 0.00 0.00 66.02 64.71 1im9 s SER 127 CO 0.04 -0.09 0.34 0.00 0.41 0.00 0.00 173.24 173.95 1im9 s SER 129 N 0.44 0.26 -0.22 0.00 1.04 -1.04 -1.13 113.70 113.04 1im9 s SER 129 Ca 0.19 -1.18 -0.32 0.00 0.48 0.00 0.00 55.95 55.13 1im9 s SER 129 Cb -0.14 0.32 0.16 0.00 0.10 0.00 0.00 66.02 66.47 1im9 s SER 129 CO 0.06 -0.76 1.22 -0.55 0.98 0.00 0.00 173.24 174.19 1im9 s SER 130 N -3.05 -0.15 0.46 7.02 0.15 -0.09 -2.01 113.70 116.04 1im9 s SER 130 Ca 0.24 0.10 0.26 0.00 0.70 0.00 0.00 55.95 57.26 1im9 s SER 130 Cb 0.07 0.13 0.83 0.00 -1.71 0.00 0.00 66.02 65.34 1im9 s SER 130 CO 0.02 -0.18 1.78 0.03 1.20 0.00 0.00 173.24 176.10 1im9 h ARG 131 N 2.14 0.00 -6.87 5.44 3.08 -1.87 -1.07 114.38 115.23 1im9 h ARG 131 Ca -0.10 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.47 1im9 h ARG 131 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1im9 h ARG 131 CO 0.24 0.12 0.37 -1.12 -1.07 0.00 0.00 179.97 178.52 1im9 s SER 132 N -6.06 7.25 -1.57 7.04 0.01 -1.26 -4.82 113.70 114.30 1im9 s SER 132 Ca 0.03 1.94 -0.10 0.00 1.31 0.00 0.00 55.95 59.13 1im9 s SER 132 Cb 0.08 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.65 1im9 s SER 132 CO 0.62 -0.14 2.83 -1.54 0.41 0.00 0.00 173.24 175.43 1im9 n SER 133 N 0.62 7.96 -4.77 2.44 3.41 -1.26 -4.53 113.62 117.48 1im9 n SER 133 Ca 0.02 -2.59 -0.39 0.00 -0.26 0.00 0.00 58.87 55.65 1im9 n SER 133 Cb 0.49 -1.55 -0.03 0.00 -0.26 0.00 0.00 64.21 62.86 1im9 n SER 133 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1im9 s TYR 134 N 2.38 3.24 -0.38 7.33 2.02 -1.26 -4.93 117.35 125.74 1im9 s TYR 134 Ca 0.66 1.60 0.23 0.00 -0.37 0.00 0.00 57.07 59.18 1im9 s TYR 134 Cb 0.17 -3.33 -0.03 0.00 -0.40 0.00 0.00 41.96 38.37 1im9 s TYR 134 CO -0.06 -1.02 0.94 -0.25 -1.57 0.00 0.00 175.55 173.59 1im9 n ASP 135 N 0.39 0.58 -3.93 2.29 8.00 -0.53 -4.56 116.55 118.79 1im9 n ASP 135 Ca 0.03 0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.45 1im9 n ASP 135 Cb 0.46 0.87 -0.10 0.00 -0.02 0.00 0.00 41.12 42.34 1im9 n ASP 135 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1im9 s MET 136 N -3.31 0.51 -0.07 -1.24 -1.94 -0.87 -2.05 119.30 110.34 1im9 s MET 136 Ca 0.00 -0.66 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 1im9 s MET 136 Cb 0.13 0.20 0.02 0.00 2.01 0.00 0.00 34.83 37.19 1im9 s MET 136 CO 0.81 -0.12 -0.08 0.71 -0.01 0.00 0.00 175.02 176.33 1im9 s TYR 137 N -2.16 1.22 -0.17 -0.03 2.02 -0.50 -1.64 117.35 116.09 1im9 s TYR 137 Ca -0.09 -0.47 -0.04 0.00 -0.37 0.00 0.00 57.07 56.10 1im9 s TYR 137 Cb -0.04 -0.98 -0.03 0.00 -0.40 0.00 0.00 41.96 40.52 1im9 s TYR 137 CO -0.03 -0.31 -0.03 -1.01 -1.57 0.00 0.00 175.55 172.60 1im9 s HIS 138 N 1.04 3.02 -0.20 2.71 3.76 -0.75 -1.50 115.29 123.38 1im9 s HIS 138 Ca -0.08 -0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 54.43 1im9 s HIS 138 Cb -0.14 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 1im9 s HIS 138 CO -0.00 -0.11 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.55 1im9 s LEU 139 N 0.55 2.89 -0.04 0.89 2.96 0.14 -2.27 118.68 123.80 1im9 s LEU 139 Ca -0.03 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.59 1im9 s LEU 139 Cb -0.14 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1im9 s LEU 139 CO 0.03 0.04 -0.19 -0.94 -1.32 0.00 0.00 176.35 173.96 1im9 s SER 140 N 1.13 3.60 -0.26 3.68 1.04 -0.31 -0.66 113.70 121.92 1im9 s SER 140 Ca 0.01 -0.32 -0.03 0.00 0.48 0.00 0.00 55.95 56.09 1im9 s SER 140 Cb -0.15 -0.66 0.02 0.00 0.10 0.00 0.00 66.02 65.34 1im9 s SER 140 CO -0.01 0.33 -0.02 -0.60 0.98 0.00 0.00 173.24 173.92 1im9 s ARG 141 N -0.64 2.96 -0.43 4.02 3.52 -1.26 -2.15 118.95 124.97 1im9 s ARG 141 Ca 0.10 -0.91 -0.43 0.00 -0.13 0.00 0.00 55.73 54.36 1im9 s ARG 141 Cb -0.11 -3.10 -0.17 0.00 -1.56 0.00 0.00 34.95 30.01 1im9 s ARG 141 CO 0.00 -0.39 1.92 -1.91 -0.81 0.00 0.00 175.30 174.11 1im9 n GLU 142 N 4.74 0.39 0.00 5.12 2.13 -0.46 0.43 120.64 132.99 1im9 n GLU 142 Ca -0.16 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1im9 n GLU 142 Cb 0.48 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 30.42 1im9 n GLU 142 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1im9 n GLY 143 N 5.76 2.59 3.74 8.31 0.00 -1.26 -4.74 105.19 119.59 1im9 n GLY 143 Ca 0.41 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 1im9 n GLY 143 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1im9 s GLU 144 N -0.44 4.15 0.12 1.61 2.02 0.17 -5.02 118.70 121.31 1im9 s GLU 144 Ca 0.00 -0.12 -0.18 0.00 0.02 0.00 0.00 54.97 54.69 1im9 s GLU 144 Cb 0.00 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 1im9 s GLU 144 CO 0.00 0.32 1.65 0.00 0.02 0.00 0.00 175.26 177.25 1im9 h ALA 145 N 6.54 0.41 -3.25 5.21 0.00 -1.98 -3.43 119.26 122.76 1im9 h ALA 145 Ca -0.42 -0.13 -0.66 0.00 0.00 0.00 0.00 54.91 53.70 1im9 h ALA 145 Cb 1.16 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 1im9 h ALA 145 CO 0.75 0.01 -0.61 -1.01 0.00 0.00 0.00 179.25 178.39 1im9 s HIS 146 N -5.53 3.17 0.24 0.00 3.76 -1.26 -5.09 115.29 110.59 1im9 s HIS 146 Ca -0.13 0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.92 1im9 s HIS 146 Cb 0.09 -1.71 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 1im9 s HIS 146 CO 0.73 0.50 0.43 -1.21 -0.85 0.00 0.00 174.74 174.35 1im9 s GLU 147 N -1.58 3.51 -0.05 1.40 8.01 -1.26 -4.79 118.70 123.93 1im9 s GLU 147 Ca 0.20 -0.38 -0.12 0.00 0.01 0.00 0.00 54.97 54.68 1im9 s GLU 147 Cb -0.12 -2.79 -0.05 0.00 -4.31 0.00 0.00 34.13 26.86 1im9 s GLU 147 CO 0.11 0.34 0.32 1.03 0.01 0.00 0.00 175.26 177.07 1im9 s ARG 148 N -3.65 3.81 -0.01 1.61 0.52 0.17 -4.87 118.95 116.52 1im9 s ARG 148 Ca 0.38 0.23 0.08 0.00 -0.52 0.00 0.00 55.73 55.90 1im9 s ARG 148 Cb -0.10 -3.23 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 1im9 s ARG 148 CO 0.31 0.67 -0.25 -0.98 0.02 0.00 0.00 175.30 175.07 1im9 s ARG 149 N -0.91 2.08 -0.08 3.54 1.70 -1.26 0.24 118.95 124.27 1im9 s ARG 149 Ca 0.21 -0.95 -0.07 0.00 -0.47 0.00 0.00 55.73 54.45 1im9 s ARG 149 Cb -0.15 -2.06 0.02 0.00 -0.57 0.00 0.00 34.95 32.19 1im9 s ARG 149 CO 0.10 0.56 0.20 -0.51 -1.08 0.00 0.00 175.30 174.56 1im9 s LEU 150 N -0.76 1.15 0.29 -1.89 1.43 -0.56 -4.99 118.68 113.35 1im9 s LEU 150 Ca 0.11 0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 1im9 s LEU 150 Cb -0.10 0.67 -0.10 0.00 0.03 0.00 0.00 46.19 46.69 1im9 s LEU 150 CO -0.00 -0.08 1.42 -2.84 0.23 0.00 0.00 176.35 175.08 1im9 s PRO 151 N 0.24 4.26 -0.28 1.29 0.02 -1.26 -1.41 135.00 137.86 1im9 s PRO 151 Ca -0.01 2.32 -0.22 0.00 0.02 0.00 0.00 61.00 63.11 1im9 s PRO 151 Cb -0.02 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.41 1im9 s PRO 151 CO -0.01 -0.38 0.71 0.00 -0.33 0.00 0.00 177.00 176.99 1im9 s ALA 152 N -0.42 3.58 0.22 -1.55 0.00 -0.87 -4.68 121.76 118.04 1im9 s ALA 152 Ca 0.56 -0.42 -0.09 0.00 0.00 0.00 0.00 51.96 52.01 1im9 s ALA 152 Cb -0.42 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 1im9 s ALA 152 CO 0.48 -0.99 0.53 0.20 0.00 0.00 0.00 175.76 175.98 1im9 s GLY 153 N 1.52 2.28 0.51 0.00 0.00 -0.94 -4.80 107.32 105.89 1im9 s GLY 153 Ca 0.29 -0.30 -0.22 0.00 0.00 0.00 0.00 44.72 44.49 1im9 s GLY 153 CO 0.10 -0.17 1.24 -4.14 0.00 0.00 0.00 173.10 170.13 1im9 s PRO 154 N -2.80 3.44 0.42 2.90 0.02 -1.26 -2.53 135.00 135.19 1im9 s PRO 154 Ca 0.47 1.95 0.04 0.00 0.02 0.00 0.00 61.00 63.48 1im9 s PRO 154 Cb -0.11 -2.29 -0.05 0.00 0.02 0.00 0.00 34.50 32.07 1im9 s PRO 154 CO 0.22 -0.87 0.04 0.15 -0.33 0.00 0.00 177.00 176.21 1im9 s LYS 155 N -2.85 1.97 0.29 5.54 3.01 0.28 -4.90 119.74 123.07 1im9 s LYS 155 Ca 0.68 -2.17 0.01 0.00 -1.01 0.00 0.00 55.97 53.47 1im9 s LYS 155 Cb -0.33 -1.27 0.69 0.00 -1.01 0.00 0.00 37.83 35.91 1im9 s LYS 155 CO 0.39 -0.25 1.62 -0.39 0.51 0.00 0.00 175.35 177.23 1im9 h VAL 156 N 1.71 0.21 -1.92 3.17 -1.51 -1.96 -3.15 116.25 112.80 1im9 h VAL 156 Ca -0.42 -0.04 -0.62 0.00 -1.23 0.00 0.00 66.70 64.39 1im9 h VAL 156 Cb 1.27 0.09 -0.40 0.00 -2.13 0.00 0.00 31.29 30.12 1im9 h VAL 156 CO 0.72 0.02 -0.41 -0.46 -1.23 0.00 0.00 177.57 176.22 1im9 n ASN 157 N -5.35 5.07 -3.62 4.19 6.94 -1.26 -4.89 115.26 116.34 1im9 n ASN 157 Ca 0.21 -3.72 -0.21 0.00 -0.02 0.00 0.00 54.58 50.84 1im9 n ASN 157 Cb 0.68 -0.61 0.04 0.00 -2.36 0.00 0.00 39.78 37.54 1im9 n ASN 157 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1im9 n GLY 158 N -0.36 -0.41 2.89 4.83 0.00 -1.19 -4.99 105.19 105.96 1im9 n GLY 158 Ca 0.38 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.45 1im9 n GLY 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1im9 s THR 159 N -3.59 0.07 -0.09 2.61 2.01 -1.26 -4.65 115.64 110.74 1im9 s THR 159 Ca 0.07 -0.08 -0.00 0.00 0.31 0.00 0.00 61.69 61.99 1im9 s THR 159 Cb -0.02 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.39 1im9 s THR 159 CO 0.80 -0.00 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.29 1im9 s PHE 160 N -0.09 2.93 0.18 4.92 0.40 -0.40 0.99 117.98 126.92 1im9 s PHE 160 Ca -0.00 -0.12 -0.23 0.00 -0.60 0.00 0.00 56.93 55.98 1im9 s PHE 160 Cb -0.01 -1.77 0.06 0.00 0.51 0.00 0.00 43.02 41.81 1im9 s PHE 160 CO -0.00 0.20 0.70 1.14 0.70 0.00 0.00 175.22 177.96 1im9 s GLN 161 N -0.45 1.39 0.11 0.44 -2.07 -1.05 -0.91 119.66 117.12 1im9 s GLN 161 Ca 0.07 -0.64 0.04 0.00 -1.82 0.00 0.00 55.36 53.01 1im9 s GLN 161 Cb -0.12 0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 32.32 1im9 s GLN 161 CO 0.02 -0.62 -0.10 0.00 -1.32 0.00 0.00 175.29 173.26 1im9 s ALA 162 N -3.70 1.25 -0.21 2.60 0.00 -0.29 -2.21 121.76 119.21 1im9 s ALA 162 Ca 0.06 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.73 1im9 s ALA 162 Cb -0.03 0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.16 1im9 s ALA 162 CO -0.05 -0.05 -0.15 -0.51 0.00 0.00 0.00 175.76 175.01 1im9 s ASP 163 N -2.69 3.65 -0.37 0.00 1.11 -1.26 -1.97 116.67 115.14 1im9 s ASP 163 Ca 0.10 -0.96 -0.13 0.00 0.18 0.00 0.00 52.55 51.73 1im9 s ASP 163 Cb -0.01 -1.46 0.00 0.00 1.07 0.00 0.00 42.92 42.53 1im9 s ASP 163 CO 0.00 -0.10 0.25 -0.36 1.18 0.00 0.00 175.17 176.15 1im9 s PHE 164 N 1.24 3.23 -0.34 4.23 0.40 0.24 -4.94 117.98 122.04 1im9 s PHE 164 Ca -0.01 -0.48 -0.27 0.00 -0.60 0.00 0.00 56.93 55.57 1im9 s PHE 164 Cb -0.16 -2.50 0.01 0.00 0.51 0.00 0.00 43.02 40.88 1im9 s PHE 164 CO -0.09 -0.49 0.99 -1.25 0.70 0.00 0.00 175.22 175.07 1im9 s PRO 165 N 1.68 3.95 0.13 0.24 0.04 -1.26 -0.25 135.00 139.54 1im9 s PRO 165 Ca 0.05 0.80 -0.07 0.00 0.04 0.00 0.00 61.00 61.82 1im9 s PRO 165 Cb -0.18 -3.77 -0.07 0.00 0.04 0.00 0.00 34.50 30.52 1im9 s PRO 165 CO 0.09 -0.91 1.35 -0.07 0.04 0.00 0.00 177.00 177.50 1im9 h LEU 166 N 10.05 0.70 0.00 -3.56 3.38 -1.78 -3.49 115.31 120.62 1im9 h LEU 166 Ca -0.22 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.27 1im9 h LEU 166 Cb 1.07 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1im9 h LEU 166 CO 1.00 1.26 0.00 0.61 0.09 0.00 0.00 178.44 181.40 1im9 n GLY 167 N 0.71 -1.12 3.64 0.83 0.00 -1.23 -4.92 105.19 103.10 1im9 n GLY 167 Ca -0.06 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1im9 n GLY 167 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1im9 s PRO 168 N 0.00 3.85 -0.31 1.61 0.04 -1.26 -3.39 135.00 135.54 1im9 s PRO 168 Ca 0.00 1.88 -0.38 0.00 0.04 0.00 0.00 61.00 62.54 1im9 s PRO 168 Cb 0.00 -4.06 -0.14 0.00 0.04 0.00 0.00 34.50 30.34 1im9 s PRO 168 CO 0.00 -1.24 1.96 0.00 0.04 0.00 0.00 177.00 177.76 1im9 n ALA 169 N 8.38 0.43 -1.78 8.56 0.00 0.32 -4.77 120.51 131.65 1im9 n ALA 169 Ca 0.19 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1im9 n ALA 169 Cb 0.44 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1im9 n ALA 169 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1im9 n THR 170 N 5.80 0.00 -4.00 0.00 -1.04 -1.26 -2.05 114.28 111.73 1im9 n THR 170 Ca 0.34 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 62.04 1im9 n THR 170 Cb 0.17 -0.40 -0.15 0.00 -1.82 0.00 0.00 70.33 68.14 1im9 n THR 170 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1im9 s HIS 171 N 0.00 3.57 0.00 -1.42 3.76 -1.26 -4.92 115.29 115.02 1im9 s HIS 171 Ca 0.00 -3.04 0.00 0.00 -0.15 0.00 0.00 55.06 51.87 1im9 s HIS 171 Cb 0.00 -2.88 0.00 0.00 1.11 0.00 0.00 32.58 30.81 1im9 s HIS 171 CO 0.00 -0.89 0.00 0.41 -0.85 0.00 0.00 174.74 173.41 1im9 n GLY 172 N 3.93 0.00 0.00 -2.22 0.00 -1.25 -5.01 105.19 100.63 1im9 n GLY 172 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1im9 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1im9 n GLY 173 N 0.00 0.89 3.73 -0.02 0.00 -0.82 -4.92 105.19 104.05 1im9 n GLY 173 Ca 0.00 -2.31 -0.35 0.00 0.00 0.00 0.00 46.02 43.36 1im9 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1im9 s THR 174 N -1.03 5.07 0.19 2.61 2.01 -1.26 -0.97 115.64 122.27 1im9 s THR 174 Ca 0.00 0.06 0.10 0.00 0.31 0.00 0.00 61.69 62.16 1im9 s THR 174 Cb 0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1im9 s THR 174 CO 0.00 0.51 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.94 1im9 s TYR 175 N -0.15 2.02 0.07 4.92 1.51 -0.74 -1.35 117.35 123.63 1im9 s TYR 175 Ca 0.09 -0.43 -0.15 0.00 -1.01 0.00 0.00 57.07 55.57 1im9 s TYR 175 Cb -0.12 -0.98 0.03 0.00 -0.11 0.00 0.00 41.96 40.78 1im9 s TYR 175 CO 0.01 0.44 0.35 1.03 -1.11 0.00 0.00 175.55 176.26 1im9 s ARG 176 N -2.94 0.91 0.08 -0.62 0.52 -0.91 -0.30 118.95 115.68 1im9 s ARG 176 Ca 0.20 -0.57 -0.07 0.00 -0.52 0.00 0.00 55.73 54.76 1im9 s ARG 176 Cb -0.06 0.40 -0.01 0.00 0.52 0.00 0.00 34.95 35.80 1im9 s ARG 176 CO 0.09 -0.32 0.15 0.00 0.02 0.00 0.00 175.30 175.24 1im9 s PHE 178 N -3.79 1.39 -0.00 0.00 0.40 -0.96 -2.17 117.98 112.85 1im9 s PHE 178 Ca 0.05 -1.25 0.07 0.00 -0.60 0.00 0.00 56.93 55.20 1im9 s PHE 178 Cb 0.05 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.79 1im9 s PHE 178 CO -0.10 -0.44 -0.23 0.20 0.70 0.00 0.00 175.22 175.35 1im9 s GLY 179 N -3.25 1.15 0.27 4.36 0.00 -1.26 -1.80 107.32 106.78 1im9 s GLY 179 Ca 0.38 -1.03 0.05 0.00 0.00 0.00 0.00 44.72 44.12 1im9 s GLY 179 CO 0.13 -0.88 -0.03 -1.35 0.00 0.00 0.00 173.10 170.97 1im9 s SER 180 N -0.71 2.40 0.02 1.64 1.04 -0.65 -1.57 113.70 115.86 1im9 s SER 180 Ca 0.09 -1.22 0.02 0.00 0.48 0.00 0.00 55.95 55.33 1im9 s SER 180 Cb -0.09 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 1im9 s SER 180 CO -0.00 -0.43 -0.00 -0.36 0.98 0.00 0.00 173.24 173.42 1im9 s PHE 181 N -3.18 3.04 0.23 5.02 0.08 -1.26 -1.45 117.98 120.46 1im9 s PHE 181 Ca 0.30 0.05 -0.13 0.00 0.12 0.00 0.00 56.93 57.26 1im9 s PHE 181 Cb 0.05 -1.64 0.29 0.00 -0.57 0.00 0.00 43.02 41.16 1im9 s PHE 181 CO 0.11 0.46 1.59 1.25 -0.10 0.00 0.00 175.22 178.53 1im9 h HIS 182 N 4.15 -0.53 0.00 0.36 -0.00 -1.96 -1.47 115.15 115.70 1im9 h HIS 182 Ca -0.49 0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 59.96 1im9 h HIS 182 Cb 1.17 0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 28.94 1im9 h HIS 182 CO 0.61 -0.35 -0.01 0.38 -0.00 0.00 0.00 177.93 178.56 1im9 h ASP 183 N -0.02 0.00 -2.30 3.26 2.03 -2.02 -3.32 116.42 114.04 1im9 h ASP 183 Ca 0.35 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 56.07 1im9 h ASP 183 Cb 0.57 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.67 1im9 h ASP 183 CO -0.80 0.01 -0.87 -1.20 -1.03 0.00 0.00 179.24 175.35 1im9 n SER 184 N -3.13 1.35 0.00 4.15 7.64 -0.56 -4.94 113.62 118.13 1im9 n SER 184 Ca -0.01 -2.88 0.01 0.00 1.01 0.00 0.00 58.87 57.00 1im9 n SER 184 Cb 0.21 -0.65 0.06 0.00 -1.01 0.00 0.00 64.21 62.82 1im9 n SER 184 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1im9 n PRO 185 N 1.69 0.00 0.00 1.43 -0.04 -1.22 -1.98 135.00 134.89 1im9 n PRO 185 Ca 0.25 0.43 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 1im9 n PRO 185 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1im9 n PRO 185 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1im9 n TYR 186 N -1.48 0.00 -3.53 0.54 4.01 -1.26 -4.83 117.16 110.61 1im9 n TYR 186 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1im9 n TYR 186 Cb 0.03 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.97 1im9 n TYR 186 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1im9 s GLU 187 N -2.69 2.62 0.50 -0.72 2.02 -0.84 -2.23 118.70 117.37 1im9 s GLU 187 Ca 0.08 -1.60 0.08 0.00 0.02 0.00 0.00 54.97 53.55 1im9 s GLU 187 Cb 0.14 -3.92 0.05 0.00 0.10 0.00 0.00 34.13 30.49 1im9 s GLU 187 CO 0.73 -1.10 0.69 -1.58 0.02 0.00 0.00 175.26 174.03 1im9 s TRP 188 N 1.44 2.16 0.23 1.61 0.51 -0.77 -4.39 118.94 119.73 1im9 s TRP 188 Ca 0.04 -0.52 -0.02 0.00 -2.12 0.00 0.00 56.10 53.48 1im9 s TRP 188 Cb -0.25 -2.35 0.05 0.00 -0.81 0.00 0.00 33.47 30.11 1im9 s TRP 188 CO 0.01 -0.81 0.31 -1.13 -0.51 0.00 0.00 176.95 174.83 1im9 n SER 189 N -2.08 0.19 -4.79 2.95 3.41 -0.60 -2.29 113.62 110.40 1im9 n SER 189 Ca 0.12 -1.21 -0.35 0.00 -0.26 0.00 0.00 58.87 57.16 1im9 n SER 189 Cb 0.60 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1im9 n SER 189 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1im9 s LYS 190 N -3.44 3.90 0.75 4.33 1.02 0.13 -0.80 119.74 125.63 1im9 s LYS 190 Ca 0.19 1.45 -0.12 0.00 0.02 0.00 0.00 55.97 57.50 1im9 s LYS 190 Cb -0.01 -2.26 0.05 0.00 -0.52 0.00 0.00 37.83 35.09 1im9 s LYS 190 CO 0.13 -0.36 1.12 0.45 -0.92 0.00 0.00 175.35 175.76 1im9 s SER 191 N -1.79 4.45 0.52 2.83 0.15 -1.26 -4.11 113.70 114.49 1im9 s SER 191 Ca 0.64 1.99 -0.07 0.00 0.70 0.00 0.00 55.95 59.21 1im9 s SER 191 Cb -0.19 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.53 1im9 s SER 191 CO 0.24 -2.07 0.85 -0.94 1.20 0.00 0.00 173.24 172.52 1im9 s SER 192 N -2.88 6.26 0.20 5.45 1.04 -0.92 -4.61 113.70 118.23 1im9 s SER 192 Ca 0.65 1.07 -0.32 0.00 0.48 0.00 0.00 55.95 57.83 1im9 s SER 192 Cb -0.20 -2.31 -0.12 0.00 0.10 0.00 0.00 66.02 63.49 1im9 s SER 192 CO 0.50 -0.66 1.69 -1.81 0.98 0.00 0.00 173.24 173.95 1im9 s ASP 193 N -4.12 6.42 0.70 7.02 1.01 -1.26 -4.68 116.67 121.76 1im9 s ASP 193 Ca 0.49 2.82 -0.17 0.00 0.71 0.00 0.00 52.55 56.41 1im9 s ASP 193 Cb -0.10 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.13 1im9 s ASP 193 CO 0.47 -0.94 0.04 -2.65 0.21 0.00 0.00 175.17 172.30 1im9 n PRO 194 N 3.96 0.14 -3.97 8.23 -0.02 -1.26 -4.76 135.00 137.32 1im9 n PRO 194 Ca 0.15 0.06 -0.31 0.00 -2.02 0.00 0.00 63.50 61.39 1im9 n PRO 194 Cb 0.36 -1.38 -0.15 0.00 -0.02 0.00 0.00 33.50 32.31 1im9 n PRO 194 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1im9 s LEU 195 N 3.21 3.35 -0.31 2.45 2.96 0.58 -4.90 118.68 126.03 1im9 s LEU 195 Ca 0.58 -1.55 -0.29 0.00 -0.22 0.00 0.00 54.13 52.65 1im9 s LEU 195 Cb -0.37 -1.36 0.01 0.00 0.50 0.00 0.00 46.19 44.97 1im9 s LEU 195 CO 0.66 -0.28 1.15 -0.22 -1.32 0.00 0.00 176.35 176.33 1im9 s LEU 196 N 1.21 3.93 -0.49 -0.68 2.96 -1.26 -1.79 118.68 122.56 1im9 s LEU 196 Ca -0.00 1.12 -0.06 0.00 -0.22 0.00 0.00 54.13 54.97 1im9 s LEU 196 Cb -0.19 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.09 1im9 s LEU 196 CO -0.08 -0.94 0.32 -0.69 -1.32 0.00 0.00 176.35 173.64 1im9 s VAL 197 N 3.86 3.80 0.33 1.68 1.01 -0.14 -4.79 120.40 126.16 1im9 s VAL 197 Ca 0.49 -2.14 -0.22 0.00 0.00 0.00 0.00 61.98 60.11 1im9 s VAL 197 Cb -0.14 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 1im9 s VAL 197 CO 0.18 -0.77 0.88 -0.44 0.00 0.00 0.00 175.10 174.95 1im9 s SER 198 N 1.95 7.11 -0.26 3.32 0.01 -0.26 -1.94 113.70 123.62 1im9 s SER 198 Ca 0.09 1.65 -0.01 0.00 1.31 0.00 0.00 55.95 59.00 1im9 s SER 198 Cb -0.23 -2.51 0.08 0.00 0.21 0.00 0.00 66.02 63.56 1im9 s SER 198 CO -0.03 -0.14 0.04 -0.69 0.41 0.00 0.00 173.24 172.83 1im9 s VAL 199 N -1.80 1.01 -2.03 3.43 1.01 -1.26 -2.10 120.40 118.66 1im9 s VAL 199 Ca 0.53 -1.16 0.32 0.00 0.00 0.00 0.00 61.98 61.67 1im9 s VAL 199 Cb -0.15 -1.57 0.89 0.00 0.00 0.00 0.00 36.38 35.55 1im9 s VAL 199 CO 0.20 -0.39 2.20 0.35 0.00 0.00 0.00 175.10 177.45