#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5a n GLY 2 N 0.00 2.42 3.29 0.46 0.00 -1.26 -5.07 105.19 105.03 2a5a n GLY 2 Ca 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.05 2a5a n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2a5a s PHE 3 N -2.93 -1.12 0.09 1.61 5.36 -1.26 -4.99 117.98 114.73 2a5a s PHE 3 Ca 0.00 1.67 0.04 0.00 -0.96 0.00 0.00 56.93 57.68 2a5a s PHE 3 Cb 0.00 0.45 -0.03 0.00 -0.34 0.00 0.00 43.02 43.10 2a5a s PHE 3 CO 0.00 -0.66 -0.12 1.03 -1.46 0.00 0.00 175.22 174.01 2a5a s ARG 4 N 2.73 0.83 0.06 10.12 1.81 -1.26 -5.05 118.95 128.20 2a5a s ARG 4 Ca 0.04 -1.06 -0.30 0.00 -1.72 0.00 0.00 55.73 52.69 2a5a s ARG 4 Cb -0.13 -0.66 -0.09 0.00 -0.45 0.00 0.00 34.95 33.62 2a5a s ARG 4 CO -0.17 0.13 1.78 0.15 -0.68 0.00 0.00 175.30 176.51 2a5a s LYS 5 N -2.28 4.16 0.01 3.54 -0.14 -1.26 -4.98 119.74 118.79 2a5a s LYS 5 Ca 0.02 2.46 0.02 0.00 -1.36 0.00 0.00 55.97 57.11 2a5a s LYS 5 Cb -0.06 -3.79 -0.01 0.00 -1.68 0.00 0.00 37.83 32.29 2a5a s LYS 5 CO 0.01 -0.84 -0.07 0.00 -0.76 0.00 0.00 175.35 173.70 2a5a s MET 6 N 3.30 0.51 0.40 1.68 0.23 -1.26 -4.93 119.30 119.22 2a5a s MET 6 Ca 0.79 -0.37 0.03 0.00 -1.03 0.00 0.00 55.69 55.12 2a5a s MET 6 Cb -0.41 -0.44 -0.00 0.00 -1.53 0.00 0.00 34.83 32.44 2a5a s MET 6 CO 0.35 0.11 0.57 0.00 -2.03 0.00 0.00 175.02 174.03 2a5a s ALA 7 N -0.47 4.00 0.38 3.16 0.00 -1.26 -4.86 121.76 122.70 2a5a s ALA 7 Ca -0.01 -1.27 -0.24 0.00 0.00 0.00 0.00 51.96 50.45 2a5a s ALA 7 Cb -0.04 -1.91 -0.10 0.00 0.00 0.00 0.00 23.12 21.07 2a5a s ALA 7 CO 0.00 -0.22 0.96 -0.06 0.00 0.00 0.00 175.76 176.44 2a5a s PHE 8 N -2.37 3.48 0.63 0.00 0.08 -1.26 -4.98 117.98 113.56 2a5a s PHE 8 Ca 0.47 1.70 -0.18 0.00 0.12 0.00 0.00 56.93 59.04 2a5a s PHE 8 Cb -0.10 -2.92 -0.03 0.00 -0.57 0.00 0.00 43.02 39.41 2a5a s PHE 8 CO 0.34 -0.02 1.12 -2.30 -0.10 0.00 0.00 175.22 174.26 2a5a n PRO 9 N -0.01 0.96 0.00 0.24 -0.02 -1.26 -4.90 135.00 130.02 2a5a n PRO 9 Ca 0.04 0.38 0.05 0.00 -2.02 0.00 0.00 63.50 61.95 2a5a n PRO 9 Cb 0.52 -2.35 -0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2a5a n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2a5a n SER 10 N -1.39 1.21 -0.23 2.55 3.41 -1.26 -4.62 113.62 113.29 2a5a n SER 10 Ca 0.15 -1.10 0.02 0.00 -0.26 0.00 0.00 58.87 57.68 2a5a n SER 10 Cb 0.48 0.46 0.12 0.00 -0.26 0.00 0.00 64.21 65.01 2a5a n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2a5a h GLY 11 N 2.11 0.68 2.00 5.00 0.00 -1.99 0.11 103.07 110.98 2a5a h GLY 11 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2a5a h GLY 11 CO 0.00 -0.25 -0.14 0.50 0.00 0.00 0.00 176.54 176.65 2a5a h LYS 12 N 0.08 0.00 0.02 4.80 1.57 -1.97 -2.05 116.57 119.02 2a5a h LYS 12 Ca 0.36 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.82 2a5a h LYS 12 Cb 0.59 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 2a5a h LYS 12 CO -0.62 0.14 -1.87 0.28 -0.57 0.00 0.00 179.45 176.81 2a5a n VAL 13 N -3.77 1.60 -0.35 0.50 0.31 -0.66 -3.87 118.33 112.09 2a5a n VAL 13 Ca -0.02 -0.78 0.13 0.00 -0.01 0.00 0.00 64.34 63.66 2a5a n VAL 13 Cb 0.25 -1.06 0.33 0.00 -0.91 0.00 0.00 33.84 32.45 2a5a n VAL 13 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2a5a h GLU 14 N 0.01 0.73 0.00 5.55 5.08 -0.10 0.37 114.58 126.22 2a5a h GLU 14 Ca -0.35 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2a5a h GLU 14 Cb 2.05 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.13 2a5a h GLU 14 CO 0.07 0.48 0.00 0.41 -1.00 0.00 0.00 179.01 178.97 2a5a n GLY 15 N -1.35 -0.79 0.85 -3.84 0.00 -1.05 -2.61 105.19 96.41 2a5a n GLY 15 Ca 0.23 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.23 2a5a n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a5a s MET 17 N -1.94 3.94 0.39 0.00 -1.94 -1.07 0.98 119.30 119.65 2a5a s MET 17 Ca 0.32 -0.21 0.04 0.00 -1.71 0.00 0.00 55.69 54.13 2a5a s MET 17 Cb 0.20 -3.33 -0.03 0.00 2.01 0.00 0.00 34.83 33.69 2a5a s MET 17 CO 0.31 0.44 0.13 0.14 -0.01 0.00 0.00 175.02 176.04 2a5a s VAL 18 N -0.06 0.59 -0.20 -6.03 -7.23 -0.26 -4.85 120.40 102.36 2a5a s VAL 18 Ca 0.10 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 2a5a s VAL 18 Cb -0.11 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 2a5a s VAL 18 CO -0.00 0.00 -0.04 -1.58 -0.31 0.00 0.00 175.10 173.17 2a5a s GLN 19 N -3.73 3.48 -0.13 4.82 0.74 -0.43 -0.13 119.66 124.29 2a5a s GLN 19 Ca 0.27 -0.59 -0.02 0.00 0.05 0.00 0.00 55.36 55.07 2a5a s GLN 19 Cb 0.03 -2.98 -0.03 0.00 1.10 0.00 0.00 33.01 31.14 2a5a s GLN 19 CO 0.16 -0.04 -0.07 0.08 -0.55 0.00 0.00 175.29 174.87 2a5a s VAL 20 N 1.09 3.67 -0.00 1.34 1.01 0.26 -0.27 120.40 127.49 2a5a s VAL 20 Ca 0.01 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.61 2a5a s VAL 20 Cb -0.15 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2a5a s VAL 20 CO 0.00 0.53 -0.21 -0.89 0.00 0.00 0.00 175.10 174.53 2a5a s THR 21 N 0.03 1.64 -0.17 3.92 2.01 -0.65 -0.14 115.64 122.27 2a5a s THR 21 Ca -0.01 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 2a5a s THR 21 Cb -0.14 -1.37 0.08 0.00 0.01 0.00 0.00 72.50 71.09 2a5a s THR 21 CO 0.03 0.41 0.25 0.00 -0.69 0.00 0.00 174.62 174.62 2a5a n GLY 23 N 5.34 3.40 0.93 0.00 0.00 -1.26 -1.30 105.19 112.30 2a5a n GLY 23 Ca -0.05 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2a5a n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a5a n THR 24 N 0.00 0.14 -3.62 2.61 -2.24 -1.26 -4.93 114.28 104.98 2a5a n THR 24 Ca 0.00 -0.52 -0.36 0.00 -2.27 0.00 0.00 64.05 60.89 2a5a n THR 24 Cb 0.00 1.18 -0.08 0.00 -2.10 0.00 0.00 70.33 69.33 2a5a n THR 24 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2a5a s THR 25 N -1.86 5.34 -0.08 4.28 2.01 -0.42 -5.07 115.64 119.84 2a5a s THR 25 Ca 0.32 0.33 0.04 0.00 0.31 0.00 0.00 61.69 62.69 2a5a s THR 25 Cb 0.21 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.15 2a5a s THR 25 CO 0.31 0.37 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.51 2a5a s THR 26 N 0.79 2.51 0.15 -0.82 2.01 -1.26 -1.16 115.64 117.85 2a5a s THR 26 Ca 0.11 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.21 2a5a s THR 26 Cb -0.13 -1.97 0.00 0.00 0.01 0.00 0.00 72.50 70.41 2a5a s THR 26 CO 0.03 0.56 0.21 0.00 -0.69 0.00 0.00 174.62 174.73 2a5a n LEU 27 N 3.04 0.00 -4.87 4.42 -0.00 0.80 -4.84 117.00 115.54 2a5a n LEU 27 Ca -0.18 -1.21 -0.33 0.00 -0.00 0.00 0.00 56.01 54.29 2a5a n LEU 27 Cb 0.52 1.08 -0.05 0.00 -0.00 0.00 0.00 43.42 44.97 2a5a n LEU 27 CO 0.27 -0.28 0.13 0.20 -0.00 0.00 0.00 177.39 177.72 2a5a s ASN 28 N -1.92 6.64 0.10 1.45 0.01 -0.95 -0.58 114.94 119.70 2a5a s ASN 28 Ca 0.12 0.84 0.02 0.00 -0.71 0.00 0.00 52.86 53.13 2a5a s ASN 28 Cb -0.00 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 2a5a s ASN 28 CO 0.09 0.07 -0.08 -0.83 -1.51 0.00 0.00 177.10 174.84 2a5a s GLY 29 N -2.05 0.81 -0.14 0.66 0.00 0.82 -4.28 107.32 103.14 2a5a s GLY 29 Ca 0.39 -1.31 -0.05 0.00 0.00 0.00 0.00 44.72 43.75 2a5a s GLY 29 CO 0.20 -1.41 0.03 -2.27 0.00 0.00 0.00 173.10 169.65 2a5a s LEU 30 N -2.89 3.68 -0.40 0.66 2.96 0.34 -1.11 118.68 121.92 2a5a s LEU 30 Ca 0.10 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 2a5a s LEU 30 Cb 0.03 -1.89 0.11 0.00 0.50 0.00 0.00 46.19 44.94 2a5a s LEU 30 CO -0.03 0.26 0.17 0.86 -1.32 0.00 0.00 176.35 176.30 2a5a s TRP 31 N -0.18 3.62 -0.04 5.38 -0.00 0.28 0.49 118.94 128.49 2a5a s TRP 31 Ca 0.06 -2.64 0.06 0.00 -0.00 0.00 0.00 56.10 53.58 2a5a s TRP 31 Cb -0.12 -3.13 -0.02 0.00 -0.00 0.00 0.00 33.47 30.20 2a5a s TRP 31 CO 0.02 -0.95 -0.21 -0.51 -0.00 0.00 0.00 176.95 175.29 2a5a s LEU 32 N 0.96 2.33 0.00 5.86 1.43 -0.86 -4.68 118.68 123.72 2a5a s LEU 32 Ca 0.10 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2a5a s LEU 32 Cb -0.22 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.57 2a5a s LEU 32 CO -0.05 0.31 0.00 0.47 0.23 0.00 0.00 176.35 177.31 2a5a n ASP 33 N 2.54 0.00 -0.84 2.29 8.00 -1.26 -1.60 116.55 125.68 2a5a n ASP 33 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2a5a n ASP 33 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2a5a n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2a5a n ASP 34 N -3.70 0.88 -4.06 -2.24 3.85 -1.26 -1.15 116.55 108.87 2a5a n ASP 34 Ca 0.00 -0.74 -0.11 0.00 -0.71 0.00 0.00 54.79 53.23 2a5a n ASP 34 Cb 0.00 -0.19 -0.11 0.00 -1.35 0.00 0.00 41.12 39.47 2a5a n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2a5a s THR 35 N 0.11 0.41 -0.08 2.12 2.01 -0.63 -1.92 115.64 117.68 2a5a s THR 35 Ca 0.00 -1.21 0.02 0.00 0.31 0.00 0.00 61.69 60.81 2a5a s THR 35 Cb 0.00 -0.73 0.02 0.00 0.01 0.00 0.00 72.50 71.79 2a5a s THR 35 CO 0.00 -0.53 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.59 2a5a s VAL 36 N -1.92 1.17 -0.03 3.82 1.01 -0.40 -2.03 120.40 122.02 2a5a s VAL 36 Ca -0.07 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 2a5a s VAL 36 Cb -0.06 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2a5a s VAL 36 CO -0.02 0.37 0.32 -0.31 0.00 0.00 0.00 175.10 175.46 2a5a s TYR 37 N 0.92 3.68 0.18 5.22 2.02 0.18 -2.08 117.35 127.48 2a5a s TYR 37 Ca -0.09 0.82 -0.19 0.00 -0.37 0.00 0.00 57.07 57.24 2a5a s TYR 37 Cb -0.15 -2.16 0.04 0.00 -0.40 0.00 0.00 41.96 39.29 2a5a s TYR 37 CO 0.00 0.67 0.54 0.00 -1.57 0.00 0.00 175.55 175.19 2a5a s PRO 39 N -3.84 4.18 0.60 0.00 0.02 -1.26 -0.59 135.00 134.11 2a5a s PRO 39 Ca 0.06 2.45 0.33 0.00 0.02 0.00 0.00 61.00 63.86 2a5a s PRO 39 Cb -0.01 -3.21 1.94 0.00 0.02 0.00 0.00 34.50 33.24 2a5a s PRO 39 CO -0.06 -0.68 2.28 0.07 -0.33 0.00 0.00 177.00 178.28 2a5a h ARG 40 N 7.09 0.00 0.00 5.54 0.11 -1.72 -1.28 114.38 124.11 2a5a h ARG 40 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 2a5a h ARG 40 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2a5a h ARG 40 CO 0.93 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.61 2a5a n HIS 41 N -3.70 0.00 0.31 4.08 1.44 -1.26 -1.66 115.22 114.42 2a5a n HIS 41 Ca -0.03 0.00 0.19 0.00 -2.01 0.00 0.00 57.72 55.87 2a5a n HIS 41 Cb 0.08 -0.16 0.99 0.00 0.12 0.00 0.00 29.99 31.02 2a5a n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 2a5a h VAL 42 N 0.00 0.12 -0.00 0.61 3.04 -1.61 -0.47 116.25 117.94 2a5a h VAL 42 Ca 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2a5a h VAL 42 Cb 0.01 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2a5a h VAL 42 CO 0.00 0.02 -0.45 2.30 -1.01 0.00 0.00 177.57 178.43 2a5a n ILE 43 N -3.22 0.00 -2.78 3.17 -5.35 -0.67 -4.54 119.36 105.97 2a5a n ILE 43 Ca -0.02 -0.03 -0.34 0.00 -0.27 0.00 0.00 62.75 62.09 2a5a n ILE 43 Cb 0.16 0.31 -0.07 0.00 -1.74 0.00 0.00 39.64 38.30 2a5a n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a5a s THR 45 N -2.01 2.16 0.00 0.00 -1.32 -1.26 -4.74 115.64 108.47 2a5a s THR 45 Ca 0.59 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 2a5a s THR 45 Cb -0.12 -2.82 0.00 0.00 -1.51 0.00 0.00 72.50 68.04 2a5a s THR 45 CO 0.17 0.00 0.54 0.00 -2.21 0.00 0.00 174.62 173.12 2a5a n ALA 46 N -3.10 0.06 -2.80 11.08 0.00 -1.26 -2.53 120.51 121.95 2a5a n ALA 46 Ca 0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 53.44 53.02 2a5a n ALA 46 Cb 0.60 -0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 2a5a n ALA 46 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2a5a n GLU 47 N 3.52 -2.98 -0.94 0.00 2.13 -1.26 -4.93 120.64 116.17 2a5a n GLU 47 Ca 0.00 2.46 0.01 0.00 0.66 0.00 0.00 57.16 60.29 2a5a n GLU 47 Cb 0.27 -4.45 0.00 0.00 0.27 0.00 0.00 31.44 27.53 2a5a n GLU 47 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2a5a n ASP 48 N 0.96 0.30 0.00 4.31 2.03 -1.05 -4.76 116.55 118.34 2a5a n ASP 48 Ca -0.04 -1.90 0.00 0.00 0.52 0.00 0.00 54.79 53.37 2a5a n ASP 48 Cb 0.16 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 2a5a n ASP 48 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2a5a n MET 49 N 0.20 0.00 0.19 -0.67 2.81 -1.26 -0.40 117.12 117.99 2a5a n MET 49 Ca -0.00 0.20 0.03 0.00 -1.81 0.00 0.00 57.70 56.12 2a5a n MET 49 Cb 0.86 -1.77 0.40 0.00 -0.71 0.00 0.00 33.22 32.00 2a5a n MET 49 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2a5a h LEU 50 N 0.00 0.02 -5.00 4.03 3.38 -1.86 0.30 115.31 116.18 2a5a h LEU 50 Ca 0.00 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 2a5a h LEU 50 Cb 0.55 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.15 2a5a h LEU 50 CO 0.00 0.32 -0.39 -3.20 0.09 0.00 0.00 178.44 175.26 2a5a n ASN 51 N -4.18 -2.39 -4.75 -0.43 5.15 0.46 -4.64 115.26 104.48 2a5a n ASN 51 Ca -0.02 -3.29 -0.41 0.00 -0.60 0.00 0.00 54.58 50.26 2a5a n ASN 51 Cb 0.35 1.76 -0.04 0.00 -0.53 0.00 0.00 39.78 41.32 2a5a n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2a5a s PRO 52 N 0.40 4.60 -0.30 1.20 0.04 -1.06 -5.01 135.00 134.86 2a5a s PRO 52 Ca 0.26 1.78 -0.06 0.00 0.04 0.00 0.00 61.00 63.02 2a5a s PRO 52 Cb 0.26 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.59 2a5a s PRO 52 CO -0.14 0.11 0.07 1.21 0.04 0.00 0.00 177.00 178.28 2a5a s ASN 53 N -0.39 5.07 0.18 6.66 3.84 -1.26 -5.00 114.94 124.05 2a5a s ASN 53 Ca 0.48 -0.88 0.12 0.00 0.21 0.00 0.00 52.86 52.79 2a5a s ASN 53 Cb -0.31 -1.84 -0.07 0.00 -0.55 0.00 0.00 41.25 38.48 2a5a s ASN 53 CO 0.38 -0.23 1.29 1.88 -2.79 0.00 0.00 177.10 177.63 2a5a h TYR 54 N 8.19 0.00 -0.59 0.43 -1.99 -1.97 -0.34 116.97 120.70 2a5a h TYR 54 Ca -0.29 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.34 2a5a h TYR 54 Cb 1.11 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.82 2a5a h TYR 54 CO 0.60 0.72 -0.03 1.49 -0.00 0.00 0.00 178.16 180.94 2a5a h GLU 55 N 0.00 1.07 -0.05 4.88 4.81 -1.99 0.25 114.58 123.55 2a5a h GLU 55 Ca -0.04 -0.36 -0.16 0.00 -0.13 0.00 0.00 59.36 58.68 2a5a h GLU 55 Cb 1.58 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.88 2a5a h GLU 55 CO 0.09 1.06 -0.58 0.22 -0.73 0.00 0.00 179.01 179.07 2a5a h ASP 56 N 0.97 0.59 -0.57 1.04 3.58 -1.98 -2.74 116.42 117.31 2a5a h ASP 56 Ca 0.16 -0.71 -0.03 0.00 0.42 0.00 0.00 57.03 56.88 2a5a h ASP 56 Cb 0.60 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 2a5a h ASP 56 CO 0.04 1.21 0.25 -0.07 -2.88 0.00 0.00 179.24 177.79 2a5a h LEU 57 N 0.02 0.79 -0.07 2.28 3.38 -0.96 -3.21 115.31 117.54 2a5a h LEU 57 Ca -0.06 -0.10 -0.19 0.00 0.09 0.00 0.00 57.88 57.62 2a5a h LEU 57 Cb 1.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2a5a h LEU 57 CO 0.12 0.70 -0.92 0.25 0.09 0.00 0.00 178.44 178.67 2a5a h LEU 58 N 0.86 0.00 -1.23 1.67 5.85 -0.99 -3.25 115.31 118.22 2a5a h LEU 58 Ca 0.21 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 2a5a h LEU 58 Cb 0.15 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 2a5a h LEU 58 CO -0.02 0.92 -0.10 -0.29 -0.34 0.00 0.00 178.44 178.61 2a5a h ILE 59 N 0.00 0.26 0.00 4.05 6.09 -1.49 -2.07 117.51 124.35 2a5a h ILE 59 Ca -0.01 -0.82 0.00 0.00 -1.37 0.00 0.00 64.86 62.66 2a5a h ILE 59 Cb 1.68 1.65 0.00 0.00 0.47 0.00 0.00 36.82 40.62 2a5a h ILE 59 CO 0.12 0.10 0.00 0.54 -3.07 0.00 0.00 178.15 175.84 2a5a n ARG 60 N -3.23 0.52 -4.26 2.19 3.00 -1.22 -4.88 116.66 108.77 2a5a n ARG 60 Ca 0.01 0.01 -0.14 0.00 -0.01 0.00 0.00 57.85 57.72 2a5a n ARG 60 Cb 0.37 -1.50 -0.10 0.00 0.00 0.00 0.00 32.46 31.23 2a5a n ARG 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2a5a s LYS 61 N -2.07 1.16 0.11 5.56 -2.85 -0.78 -5.12 119.74 115.75 2a5a s LYS 61 Ca 0.25 -1.56 0.01 0.00 -1.00 0.00 0.00 55.97 53.67 2a5a s LYS 61 Cb 0.12 -0.34 0.01 0.00 -2.06 0.00 0.00 37.83 35.56 2a5a s LYS 61 CO 0.21 -0.12 0.09 -1.13 0.10 0.00 0.00 175.35 174.50 2a5a n SER 62 N -0.28 1.22 0.20 0.03 3.41 -1.26 -5.01 113.62 111.93 2a5a n SER 62 Ca -0.06 -1.36 -0.14 0.00 -0.26 0.00 0.00 58.87 57.05 2a5a n SER 62 Cb 0.63 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.49 2a5a n SER 62 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2a5a h ASN 63 N 0.11 -0.42 0.00 4.04 2.35 -1.95 -2.17 115.58 117.54 2a5a h ASN 63 Ca -0.07 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2a5a h ASN 63 Cb 0.24 0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2a5a h ASN 63 CO 0.10 -0.15 0.06 0.00 -1.65 0.00 0.00 177.43 175.79 2a5a n HIS 64 N -5.23 0.00 0.17 1.19 1.44 -1.26 -1.66 115.22 109.88 2a5a n HIS 64 Ca -0.10 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.63 2a5a n HIS 64 Cb 0.26 -0.36 0.31 0.00 0.12 0.00 0.00 29.99 30.32 2a5a n HIS 64 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 2a5a h SER 65 N 0.00 0.00 -3.31 4.39 0.02 -1.78 -3.43 113.55 109.44 2a5a h SER 65 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 2a5a h SER 65 Cb 0.13 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.56 2a5a h SER 65 CO 0.00 0.44 -0.41 -0.36 -1.14 0.00 0.00 176.83 175.36 2a5a s PHE 66 N -3.86 3.43 -0.10 3.45 0.08 -0.66 -4.39 117.98 115.93 2a5a s PHE 66 Ca -0.02 0.45 0.02 0.00 0.12 0.00 0.00 56.93 57.50 2a5a s PHE 66 Cb 0.13 -2.26 -0.02 0.00 -0.57 0.00 0.00 43.02 40.30 2a5a s PHE 66 CO 0.72 0.24 -0.15 -0.48 -0.10 0.00 0.00 175.22 175.45 2a5a s LEU 67 N 0.48 2.65 -0.14 -0.37 2.34 -0.74 -4.69 118.68 118.22 2a5a s LEU 67 Ca 0.12 -0.31 0.01 0.00 0.06 0.00 0.00 54.13 54.02 2a5a s LEU 67 Cb -0.12 -1.57 -0.00 0.00 -0.56 0.00 0.00 46.19 43.94 2a5a s LEU 67 CO 0.01 0.23 -0.17 -0.69 -1.06 0.00 0.00 176.35 174.67 2a5a s VAL 68 N -0.05 2.56 -0.15 1.48 1.01 -1.25 -1.64 120.40 122.35 2a5a s VAL 68 Ca -0.03 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2a5a s VAL 68 Cb -0.14 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.20 2a5a s VAL 68 CO 0.04 0.53 -0.16 -1.58 0.00 0.00 0.00 175.10 173.93 2a5a s GLN 69 N 0.64 2.50 -0.40 2.72 0.74 0.63 0.18 119.66 126.66 2a5a s GLN 69 Ca -0.09 -0.64 -0.03 0.00 0.05 0.00 0.00 55.36 54.65 2a5a s GLN 69 Cb -0.16 -2.21 0.10 0.00 1.10 0.00 0.00 33.01 31.85 2a5a s GLN 69 CO 0.02 -0.19 0.19 0.00 -0.55 0.00 0.00 175.29 174.77 2a5a s ALA 70 N 1.33 3.14 0.00 1.58 0.00 -0.52 -1.31 121.76 125.98 2a5a s ALA 70 Ca 0.03 -2.46 0.00 0.00 0.00 0.00 0.00 51.96 49.52 2a5a s ALA 70 Cb -0.13 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.59 2a5a s ALA 70 CO -0.09 -1.76 0.00 0.41 0.00 0.00 0.00 175.76 174.32 2a5a n GLY 71 N 4.61 3.07 2.82 0.00 0.00 -1.26 -0.53 105.19 113.90 2a5a n GLY 71 Ca -0.03 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 2a5a n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2a5a n ASN 72 N 4.88 7.46 -3.75 1.61 4.05 -1.26 -4.88 115.26 123.36 2a5a n ASN 72 Ca 0.00 -3.77 -0.26 0.00 0.45 0.00 0.00 54.58 51.00 2a5a n ASN 72 Cb 0.00 -1.08 -0.17 0.00 1.23 0.00 0.00 39.78 39.77 2a5a n ASN 72 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2a5a s VAL 73 N -4.78 0.46 0.03 3.44 1.01 0.31 -5.10 120.40 115.77 2a5a s VAL 73 Ca 0.54 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 2a5a s VAL 73 Cb 0.44 -0.83 -0.07 0.00 0.00 0.00 0.00 36.38 35.92 2a5a s VAL 73 CO -0.36 -0.02 1.62 -1.10 0.00 0.00 0.00 175.10 175.24 2a5a s GLN 74 N 1.91 4.21 -0.16 2.72 -1.52 -1.26 -1.43 119.66 124.12 2a5a s GLN 74 Ca 0.02 2.24 -0.22 0.00 -1.95 0.00 0.00 55.36 55.44 2a5a s GLN 74 Cb -0.15 -3.69 -0.03 0.00 -0.22 0.00 0.00 33.01 28.92 2a5a s GLN 74 CO -0.07 -0.74 0.68 -0.51 -0.25 0.00 0.00 175.29 174.41 2a5a s LEU 75 N 2.95 4.19 -0.07 2.90 1.43 0.47 -4.97 118.68 125.58 2a5a s LEU 75 Ca 0.72 0.97 -0.30 0.00 -1.03 0.00 0.00 54.13 54.50 2a5a s LEU 75 Cb -0.37 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 2a5a s LEU 75 CO 0.31 -0.26 1.38 -0.13 0.23 0.00 0.00 176.35 177.88 2a5a s ARG 76 N 1.72 4.26 0.01 1.70 0.52 -1.26 -3.92 118.95 121.97 2a5a s ARG 76 Ca 0.32 1.88 -0.30 0.00 -0.52 0.00 0.00 55.73 57.11 2a5a s ARG 76 Cb -0.16 -3.71 -0.04 0.00 0.52 0.00 0.00 34.95 31.56 2a5a s ARG 76 CO 0.12 -0.65 1.09 0.08 0.02 0.00 0.00 175.30 175.96 2a5a s VAL 77 N 3.04 4.47 0.00 3.52 1.01 -1.26 -0.80 120.40 130.38 2a5a s VAL 77 Ca 0.62 1.77 0.00 0.00 0.00 0.00 0.00 61.98 64.37 2a5a s VAL 77 Cb -0.28 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 31.96 2a5a s VAL 77 CO 0.23 0.11 0.72 2.30 0.00 0.00 0.00 175.10 178.46 2a5a n ILE 78 N 4.04 0.52 -3.65 2.22 -5.35 0.17 -4.56 119.36 112.74 2a5a n ILE 78 Ca 0.08 -0.59 -0.01 0.00 -0.27 0.00 0.00 62.75 61.95 2a5a n ILE 78 Cb 0.48 0.82 -0.01 0.00 -1.74 0.00 0.00 39.64 39.19 2a5a n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2a5a s GLY 79 N -0.52 -0.35 0.15 3.28 0.00 -1.14 -4.91 107.32 103.83 2a5a s GLY 79 Ca 0.00 0.66 -0.23 0.00 0.00 0.00 0.00 44.72 45.14 2a5a s GLY 79 CO 0.00 0.15 0.63 -2.38 0.00 0.00 0.00 173.10 171.50 2a5a s HIS 80 N -2.72 -0.51 0.15 1.90 -3.43 -1.26 0.42 115.29 109.83 2a5a s HIS 80 Ca 0.12 0.30 -0.25 0.00 -0.80 0.00 0.00 55.06 54.44 2a5a s HIS 80 Cb 0.02 0.56 0.06 0.00 -1.43 0.00 0.00 32.58 31.80 2a5a s HIS 80 CO -0.02 -0.83 0.91 -1.54 -2.00 0.00 0.00 174.74 171.25 2a5a s SER 81 N -2.73 -0.23 -0.06 7.38 1.04 -0.68 -4.96 113.70 113.45 2a5a s SER 81 Ca 0.02 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.13 2a5a s SER 81 Cb -0.01 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 2a5a s SER 81 CO -0.12 -0.92 -0.17 -0.32 0.98 0.00 0.00 173.24 172.69 2a5a s MET 82 N -3.36 2.60 -0.19 4.02 1.75 -1.26 -1.25 119.30 121.61 2a5a s MET 82 Ca 0.11 -0.75 -0.01 0.00 -1.25 0.00 0.00 55.69 53.79 2a5a s MET 82 Cb -0.02 -2.35 0.05 0.00 2.84 0.00 0.00 34.83 35.35 2a5a s MET 82 CO 0.01 0.52 -0.02 -1.14 -0.65 0.00 0.00 175.02 173.74 2a5a s GLN 83 N -0.48 1.22 0.00 4.11 0.74 0.44 -4.98 119.66 120.71 2a5a s GLN 83 Ca 0.06 -0.59 0.00 0.00 0.05 0.00 0.00 55.36 54.88 2a5a s GLN 83 Cb -0.12 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 31.84 2a5a s GLN 83 CO 0.01 -0.53 0.00 0.09 -0.55 0.00 0.00 175.29 174.31 2a5a n ASN 84 N 4.88 0.00 -1.04 6.67 3.02 -1.26 -0.71 115.26 126.83 2a5a n ASN 84 Ca -0.11 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.47 2a5a n ASN 84 Cb 0.47 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.79 2a5a n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a5a s LEU 86 N -1.05 2.42 0.23 0.00 2.34 0.11 -2.27 118.68 120.47 2a5a s LEU 86 Ca 0.21 -0.84 0.05 0.00 0.06 0.00 0.00 54.13 53.61 2a5a s LEU 86 Cb 0.16 -0.60 -0.03 0.00 -0.56 0.00 0.00 46.19 45.15 2a5a s LEU 86 CO 0.06 -0.13 0.31 -0.76 -1.06 0.00 0.00 176.35 174.77 2a5a s LEU 87 N -2.56 4.20 -0.13 1.48 1.43 0.24 -0.42 118.68 122.92 2a5a s LEU 87 Ca 0.11 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2a5a s LEU 87 Cb -0.05 -2.75 0.05 0.00 0.03 0.00 0.00 46.19 43.48 2a5a s LEU 87 CO 0.04 -0.04 0.04 -0.13 0.23 0.00 0.00 176.35 176.49 2a5a s ARG 88 N -3.84 0.37 -0.24 1.70 0.52 -0.38 -2.58 118.95 114.51 2a5a s ARG 88 Ca 0.34 -0.06 -0.04 0.00 -0.52 0.00 0.00 55.73 55.44 2a5a s ARG 88 Cb -0.09 -1.47 -0.00 0.00 0.52 0.00 0.00 34.95 33.90 2a5a s ARG 88 CO 0.28 -0.51 -0.01 -0.51 0.02 0.00 0.00 175.30 174.57 2a5a s LEU 89 N 2.01 3.13 0.08 2.53 1.43 -0.88 -1.69 118.68 125.29 2a5a s LEU 89 Ca 0.02 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 2a5a s LEU 89 Cb -0.15 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 2a5a s LEU 89 CO -0.07 -0.06 1.00 -0.75 0.23 0.00 0.00 176.35 176.71 2a5a s LYS 90 N 1.48 4.62 0.19 1.70 2.20 0.17 -1.28 119.74 128.83 2a5a s LYS 90 Ca 0.05 1.50 0.08 0.00 -0.36 0.00 0.00 55.97 57.23 2a5a s LYS 90 Cb -0.15 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 2a5a s LYS 90 CO -0.02 0.08 0.01 0.14 -0.36 0.00 0.00 175.35 175.20 2a5a s VAL 91 N 0.36 3.73 -1.53 4.02 -7.23 -0.81 -0.66 120.40 118.28 2a5a s VAL 91 Ca 0.50 -1.48 0.07 0.00 -1.81 0.00 0.00 61.98 59.26 2a5a s VAL 91 Cb -0.24 -2.89 0.14 0.00 0.56 0.00 0.00 36.38 33.95 2a5a s VAL 91 CO 0.30 -0.15 1.05 -0.90 -0.31 0.00 0.00 175.10 175.09 2a5a n ASP 92 N -0.26 0.00 -4.00 4.85 5.68 0.02 -4.72 116.55 118.11 2a5a n ASP 92 Ca -0.09 0.11 -0.24 0.00 -0.50 0.00 0.00 54.79 54.07 2a5a n ASP 92 Cb 0.56 -0.24 -0.17 0.00 -1.14 0.00 0.00 41.12 40.13 2a5a n ASP 92 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2a5a s THR 93 N -2.47 1.06 0.02 2.12 2.01 -1.26 -5.07 115.64 112.04 2a5a s THR 93 Ca 0.07 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 2a5a s THR 93 Cb 0.05 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 2a5a s THR 93 CO 0.10 0.34 1.29 -0.55 -0.69 0.00 0.00 174.62 175.12 2a5a s SER 94 N 0.75 6.96 0.13 3.53 0.15 -1.26 -4.29 113.70 119.66 2a5a s SER 94 Ca -0.13 2.05 -0.31 0.00 0.70 0.00 0.00 55.95 58.26 2a5a s SER 94 Cb -0.15 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.49 2a5a s SER 94 CO 0.03 -0.60 1.74 0.21 1.20 0.00 0.00 173.24 175.81 2a5a s ASN 95 N 1.42 6.48 0.00 5.45 3.84 -0.30 -4.81 114.94 127.03 2a5a s ASN 95 Ca 0.61 2.69 0.26 0.00 0.21 0.00 0.00 52.86 56.63 2a5a s ASN 95 Cb -0.30 -2.57 1.23 0.00 -0.55 0.00 0.00 41.25 39.06 2a5a s ASN 95 CO 0.27 -0.95 1.83 -0.81 -2.79 0.00 0.00 177.10 174.65 2a5a n PRO 96 N 5.21 1.41 -0.47 0.43 -0.05 -1.26 -2.50 135.00 137.77 2a5a n PRO 96 Ca 0.17 -0.60 0.08 0.00 -0.05 0.00 0.00 63.50 63.10 2a5a n PRO 96 Cb 0.38 -1.44 0.27 0.00 -0.05 0.00 0.00 33.50 32.66 2a5a n PRO 96 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 2a5a n LYS 97 N -0.24 3.20 -1.68 0.54 5.02 -1.26 -4.99 118.16 118.74 2a5a n LYS 97 Ca 0.19 -2.77 -0.50 0.00 -2.02 0.00 0.00 58.31 53.22 2a5a n LYS 97 Cb 0.24 -1.81 -0.05 0.00 -0.02 0.00 0.00 35.03 33.39 2a5a n LYS 97 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2a5a n THR 98 N -0.13 0.48 -1.89 -0.18 -1.04 -1.04 -4.82 114.28 105.65 2a5a n THR 98 Ca 0.21 -0.09 -0.30 0.00 -2.04 0.00 0.00 64.05 61.84 2a5a n THR 98 Cb 0.86 -1.73 0.07 0.00 -1.82 0.00 0.00 70.33 67.71 2a5a n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2a5a s PRO 99 N 3.66 2.41 0.35 -2.82 0.04 -1.26 -5.00 135.00 132.38 2a5a s PRO 99 Ca 0.92 0.28 -0.28 0.00 0.04 0.00 0.00 61.00 61.96 2a5a s PRO 99 Cb -0.75 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 31.68 2a5a s PRO 99 CO 0.52 -1.32 1.37 1.17 0.04 0.00 0.00 177.00 178.79 2a5a n LYS 100 N -3.16 2.35 -3.89 4.56 4.81 -1.26 -4.91 118.16 116.66 2a5a n LYS 100 Ca 0.07 0.82 -0.08 0.00 -0.87 0.00 0.00 58.31 58.26 2a5a n LYS 100 Cb 0.59 -2.47 -0.03 0.00 0.02 0.00 0.00 35.03 33.15 2a5a n LYS 100 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2a5a s TYR 101 N -1.05 -0.06 0.05 5.64 -0.85 -1.26 -1.61 117.35 118.21 2a5a s TYR 101 Ca 0.55 -0.37 -0.14 0.00 -0.52 0.00 0.00 57.07 56.59 2a5a s TYR 101 Cb -0.53 0.58 0.02 0.00 0.38 0.00 0.00 41.96 42.41 2a5a s TYR 101 CO 0.62 -1.17 0.32 0.15 -1.52 0.00 0.00 175.55 173.95 2a5a s LYS 102 N -3.94 0.85 -0.14 -3.49 1.02 -0.53 -4.86 119.74 108.65 2a5a s LYS 102 Ca 0.14 -0.54 -0.02 0.00 0.02 0.00 0.00 55.97 55.57 2a5a s LYS 102 Cb -0.05 0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 37.61 2a5a s LYS 102 CO 0.07 -0.28 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.09 2a5a s PHE 103 N -2.76 2.95 0.01 3.18 2.99 -1.26 -0.45 117.98 122.62 2a5a s PHE 103 Ca -0.03 -0.37 0.04 0.00 0.00 0.00 0.00 56.93 56.56 2a5a s PHE 103 Cb -0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 43.02 41.11 2a5a s PHE 103 CO -0.05 -0.05 -0.11 0.14 -0.00 0.00 0.00 175.22 175.15 2a5a s VAL 104 N 0.23 0.88 -0.35 -0.44 -7.23 -0.79 -4.95 120.40 107.74 2a5a s VAL 104 Ca -0.05 -0.61 -0.19 0.00 -1.81 0.00 0.00 61.98 59.32 2a5a s VAL 104 Cb -0.14 -0.76 -0.00 0.00 0.56 0.00 0.00 36.38 36.03 2a5a s VAL 104 CO 0.04 0.14 0.54 -0.60 -0.31 0.00 0.00 175.10 174.91 2a5a s ARG 105 N -0.53 3.62 0.60 4.82 3.52 -1.26 -4.11 118.95 125.61 2a5a s ARG 105 Ca 0.03 -0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.47 2a5a s ARG 105 Cb -0.05 -3.81 0.03 0.00 -1.56 0.00 0.00 34.95 29.55 2a5a s ARG 105 CO 0.00 -0.67 0.88 -1.50 -0.81 0.00 0.00 175.30 173.19 2a5a s ILE 106 N 2.47 3.06 0.16 4.11 2.07 -1.26 -5.07 121.20 126.74 2a5a s ILE 106 Ca 0.20 -0.29 0.09 0.00 -1.41 0.00 0.00 60.65 59.23 2a5a s ILE 106 Cb -0.15 -3.22 -0.04 0.00 0.13 0.00 0.00 42.46 39.18 2a5a s ILE 106 CO 0.14 -0.20 -0.12 -1.10 -1.91 0.00 0.00 174.94 171.74 2a5a s GLN 107 N -4.96 1.98 0.60 3.50 -1.52 -1.26 -5.04 119.66 112.95 2a5a s GLN 107 Ca 0.56 -1.23 -0.18 0.00 -1.95 0.00 0.00 55.36 52.56 2a5a s GLN 107 Cb -0.10 -2.15 -0.07 0.00 -0.22 0.00 0.00 33.01 30.46 2a5a s GLN 107 CO 0.43 0.45 0.59 -2.30 -0.25 0.00 0.00 175.29 174.21 2a5a n PRO 108 N 0.32 0.54 0.00 2.91 -0.02 -1.26 -1.17 135.00 136.31 2a5a n PRO 108 Ca -0.12 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2a5a n PRO 108 Cb 0.54 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 2a5a n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a5a n GLY 109 N 1.69 2.61 3.90 -1.23 0.00 -0.17 -4.97 105.19 107.02 2a5a n GLY 109 Ca 0.12 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2a5a n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a5a s GLN 110 N 0.00 2.62 0.35 1.61 -0.21 -0.32 -4.70 119.66 119.01 2a5a s GLN 110 Ca 0.00 0.17 0.09 0.00 0.02 0.00 0.00 55.36 55.64 2a5a s GLN 110 Cb 0.00 -2.10 -0.06 0.00 1.00 0.00 0.00 33.01 31.85 2a5a s GLN 110 CO 0.00 -1.07 -0.03 0.95 -2.12 0.00 0.00 175.29 173.02 2a5a s THR 111 N -3.28 2.43 0.13 -0.19 -4.23 -1.26 -1.36 115.64 107.87 2a5a s THR 111 Ca 0.58 -2.07 -0.25 0.00 -1.18 0.00 0.00 61.69 58.77 2a5a s THR 111 Cb -0.11 -2.74 0.07 0.00 1.34 0.00 0.00 72.50 71.06 2a5a s THR 111 CO 0.48 -0.19 0.85 0.72 -0.54 0.00 0.00 174.62 175.95 2a5a s PHE 112 N -2.57 -0.26 0.05 3.99 -0.12 0.13 -4.93 117.98 114.28 2a5a s PHE 112 Ca 0.34 -0.01 0.01 0.00 -0.05 0.00 0.00 56.93 57.21 2a5a s PHE 112 Cb 0.01 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 2a5a s PHE 112 CO 0.18 -0.82 0.14 -1.12 -0.05 0.00 0.00 175.22 173.55 2a5a s SER 113 N -2.79 5.95 -0.08 1.98 0.01 -0.79 -0.86 113.70 117.12 2a5a s SER 113 Ca 0.08 0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.53 2a5a s SER 113 Cb -0.02 -1.74 0.01 0.00 0.21 0.00 0.00 66.02 64.48 2a5a s SER 113 CO -0.02 0.19 -0.19 -0.69 0.41 0.00 0.00 173.24 172.94 2a5a s VAL 114 N -1.41 1.67 -0.39 3.43 1.01 0.18 -1.01 120.40 123.89 2a5a s VAL 114 Ca 0.31 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 2a5a s VAL 114 Cb -0.13 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.80 2a5a s VAL 114 CO 0.23 0.47 0.38 -0.22 0.00 0.00 0.00 175.10 175.97 2a5a s LEU 115 N 0.47 4.74 0.11 3.92 2.96 -0.98 -1.70 118.68 128.20 2a5a s LEU 115 Ca -0.17 -0.54 -0.28 0.00 -0.22 0.00 0.00 54.13 52.92 2a5a s LEU 115 Cb -0.17 -2.33 -0.06 0.00 0.50 0.00 0.00 46.19 44.13 2a5a s LEU 115 CO 0.07 -0.47 0.87 0.00 -1.32 0.00 0.00 176.35 175.50 2a5a s ALA 116 N 2.02 3.32 0.04 5.97 0.00 -0.11 -3.96 121.76 129.04 2a5a s ALA 116 Ca 0.11 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.55 2a5a s ALA 116 Cb -0.17 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 2a5a s ALA 116 CO 0.12 0.07 -0.09 0.00 0.00 0.00 0.00 175.76 175.86 2a5a s TYR 118 N -1.24 1.95 -1.42 0.00 2.02 -1.07 -4.13 117.35 113.45 2a5a s TYR 118 Ca -0.07 -0.80 -0.08 0.00 -0.37 0.00 0.00 57.07 55.75 2a5a s TYR 118 Cb -0.09 -1.37 0.04 0.00 -0.40 0.00 0.00 41.96 40.15 2a5a s TYR 118 CO 0.01 -0.37 0.61 0.09 -1.57 0.00 0.00 175.55 174.32 2a5a n ASN 119 N 3.79 -4.92 0.00 2.29 3.02 -1.26 -0.66 115.26 117.52 2a5a n ASN 119 Ca -0.21 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 2a5a n ASN 119 Cb 0.52 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.69 2a5a n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a5a n GLY 120 N -1.40 1.80 3.32 7.41 0.00 -1.26 -4.64 105.19 110.42 2a5a n GLY 120 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2a5a n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a5a s SER 121 N -3.35 4.56 0.28 1.61 1.04 0.17 -4.34 113.70 113.67 2a5a s SER 121 Ca 0.00 -0.49 -0.29 0.00 0.48 0.00 0.00 55.95 55.65 2a5a s SER 121 Cb 0.00 -1.78 -0.14 0.00 0.10 0.00 0.00 66.02 64.20 2a5a s SER 121 CO 0.00 -0.07 1.19 -2.65 0.98 0.00 0.00 173.24 172.69 2a5a n PRO 122 N 4.81 1.68 0.00 4.02 -0.02 -1.26 -2.59 135.00 141.64 2a5a n PRO 122 Ca -0.17 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2a5a n PRO 122 Cb 0.50 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2a5a n PRO 122 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2a5a n SER 123 N 1.39 1.70 -3.62 2.55 3.41 0.11 -4.92 113.62 114.24 2a5a n SER 123 Ca 0.09 -0.13 -0.03 0.00 -0.26 0.00 0.00 58.87 58.55 2a5a n SER 123 Cb 0.32 0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 64.85 2a5a n SER 123 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2a5a s GLY 124 N -0.93 -0.35 0.04 5.00 0.00 -1.11 -4.98 107.32 104.99 2a5a s GLY 124 Ca 0.00 0.86 0.03 0.00 0.00 0.00 0.00 44.72 45.61 2a5a s GLY 124 CO 0.00 0.24 -0.09 0.54 0.00 0.00 0.00 173.10 173.79 2a5a s VAL 125 N -2.75 0.66 0.13 1.40 0.11 -1.26 -0.93 120.40 117.76 2a5a s VAL 125 Ca 0.11 -1.06 -0.24 0.00 -2.93 0.00 0.00 61.98 57.85 2a5a s VAL 125 Cb 0.01 -0.69 0.07 0.00 -1.53 0.00 0.00 36.38 34.24 2a5a s VAL 125 CO -0.04 -0.30 0.66 -0.72 -3.33 0.00 0.00 175.10 171.37 2a5a s TYR 126 N -1.26 -0.48 0.06 1.54 -0.85 -0.69 -4.94 117.35 110.73 2a5a s TYR 126 Ca -0.07 0.28 0.01 0.00 -0.52 0.00 0.00 57.07 56.76 2a5a s TYR 126 Cb -0.09 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.77 2a5a s TYR 126 CO 0.01 -0.81 0.15 -1.14 -1.52 0.00 0.00 175.55 172.24 2a5a s GLN 127 N -3.63 3.19 -0.10 -3.49 2.00 -1.26 0.50 119.66 116.87 2a5a s GLN 127 Ca 0.02 -0.54 -0.21 0.00 -2.00 0.00 0.00 55.36 52.63 2a5a s GLN 127 Cb -0.01 -2.91 0.05 0.00 0.80 0.00 0.00 33.01 30.94 2a5a s GLN 127 CO -0.11 0.60 0.51 0.00 -0.50 0.00 0.00 175.29 175.79 2a5a s ALA 129 N -0.63 3.16 -0.04 0.00 0.00 -1.26 0.17 121.76 123.17 2a5a s ALA 129 Ca -0.07 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 2a5a s ALA 129 Cb -0.03 -1.17 -0.06 0.00 0.00 0.00 0.00 23.12 21.87 2a5a s ALA 129 CO 0.05 0.66 1.59 1.41 0.00 0.00 0.00 175.76 179.46 2a5a s MET 130 N -1.86 4.20 0.78 0.00 1.75 -0.46 -4.56 119.30 119.14 2a5a s MET 130 Ca 0.21 2.13 -0.11 0.00 -1.25 0.00 0.00 55.69 56.67 2a5a s MET 130 Cb -0.11 -3.87 0.06 0.00 2.84 0.00 0.00 34.83 33.75 2a5a s MET 130 CO 0.13 -0.78 1.09 1.03 -0.65 0.00 0.00 175.02 175.84 2a5a s ARG 131 N 3.60 2.26 0.61 4.11 1.81 0.34 -1.00 118.95 130.69 2a5a s ARG 131 Ca 0.71 0.64 0.33 0.00 -1.72 0.00 0.00 55.73 55.69 2a5a s ARG 131 Cb -0.33 -1.94 1.96 0.00 -0.45 0.00 0.00 34.95 34.19 2a5a s ARG 131 CO 0.28 -1.50 2.28 -1.35 -0.68 0.00 0.00 175.30 174.34 2a5a h PRO 132 N -1.00 0.00 -0.53 3.54 0.11 -1.88 -0.04 132.00 132.20 2a5a h PRO 132 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2a5a h PRO 132 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2a5a h PRO 132 CO 0.60 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.66 2a5a n ASN 133 N -3.67 2.70 -0.32 -2.05 6.94 -1.26 -4.91 115.26 112.68 2a5a n ASN 133 Ca -0.03 -2.16 -0.04 0.00 -0.02 0.00 0.00 54.58 52.33 2a5a n ASN 133 Cb 0.08 -0.38 -0.02 0.00 -2.36 0.00 0.00 39.78 37.10 2a5a n ASN 133 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2a5a n HIS 134 N 0.63 0.00 -3.33 -2.53 8.25 -0.03 -4.65 115.22 113.56 2a5a n HIS 134 Ca 0.15 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.40 2a5a n HIS 134 Cb 0.49 -1.28 0.04 0.00 1.12 0.00 0.00 29.99 30.36 2a5a n HIS 134 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2a5a n THR 135 N -2.66 0.00 -3.86 1.59 -2.24 -1.26 -4.46 114.28 101.39 2a5a n THR 135 Ca -0.04 -1.90 -0.12 0.00 -2.27 0.00 0.00 64.05 59.72 2a5a n THR 135 Cb 0.25 -0.37 -0.11 0.00 -2.10 0.00 0.00 70.33 67.99 2a5a n THR 135 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2a5a s ILE 136 N -2.45 0.05 -1.14 2.28 -4.36 -0.58 -0.50 121.20 114.50 2a5a s ILE 136 Ca 0.47 -0.39 -0.15 0.00 -0.26 0.00 0.00 60.65 60.33 2a5a s ILE 136 Cb -0.04 -0.31 0.16 0.00 1.25 0.00 0.00 42.46 43.53 2a5a s ILE 136 CO 0.30 -0.21 1.36 -0.54 0.24 0.00 0.00 174.94 176.09 2a5a s LYS 137 N -0.71 3.98 0.00 0.37 1.02 -1.26 -1.79 119.74 121.35 2a5a s LYS 137 Ca -0.08 -2.39 0.00 0.00 0.02 0.00 0.00 55.97 53.52 2a5a s LYS 137 Cb -0.05 -5.03 0.00 0.00 -0.52 0.00 0.00 37.83 32.23 2a5a s LYS 137 CO 0.01 -1.77 0.00 0.41 -0.92 0.00 0.00 175.35 173.08 2a5a n GLY 138 N 4.44 0.73 2.69 -3.33 0.00 -1.26 -4.99 105.19 103.45 2a5a n GLY 138 Ca 0.34 -1.93 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 2a5a n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a5a s SER 139 N -1.00 2.69 -0.11 1.61 0.15 -1.26 -4.96 113.70 110.82 2a5a s SER 139 Ca 0.00 -0.74 -0.08 0.00 0.70 0.00 0.00 55.95 55.83 2a5a s SER 139 Cb 0.00 -0.46 0.03 0.00 -1.71 0.00 0.00 66.02 63.89 2a5a s SER 139 CO 0.00 -0.32 0.27 -0.36 1.20 0.00 0.00 173.24 174.03 2a5a s PHE 140 N 1.97 -0.32 0.10 3.44 2.99 -1.26 -4.98 117.98 119.92 2a5a s PHE 140 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 56.93 57.70 2a5a s PHE 140 Cb -0.17 0.10 0.00 0.00 0.00 0.00 0.00 43.02 42.95 2a5a s PHE 140 CO -0.08 -0.18 0.01 1.28 -0.00 0.00 0.00 175.22 176.25 2a5a n LEU 141 N 3.34 0.00 -4.70 -0.37 4.77 -1.26 -5.03 117.00 113.74 2a5a n LEU 141 Ca -0.17 -0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 54.78 2a5a n LEU 141 Cb 0.57 0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 2a5a n LEU 141 CO 0.16 -0.10 1.09 0.20 -1.33 0.00 0.00 177.39 177.40 2a5a s ASN 142 N -1.55 6.84 0.00 -1.43 0.01 -1.26 -2.31 114.94 115.24 2a5a s ASN 142 Ca 0.00 2.24 0.00 0.00 -0.71 0.00 0.00 52.86 54.39 2a5a s ASN 142 Cb -0.00 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.08 2a5a s ASN 142 CO 0.00 -0.68 0.00 0.61 -1.51 0.00 0.00 177.10 175.52 2a5a n GLY 143 N 3.56 0.69 0.51 0.66 0.00 -1.26 -4.97 105.19 104.37 2a5a n GLY 143 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 2a5a n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2a5a n SER 144 N 0.00 1.52 -4.74 1.61 3.41 -0.98 -4.26 113.62 110.19 2a5a n SER 144 Ca 0.00 -1.68 -0.37 0.00 -0.26 0.00 0.00 58.87 56.56 2a5a n SER 144 Cb 0.00 -0.09 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 2a5a n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a5a n GLY 146 N 0.72 2.58 3.01 0.00 0.00 0.42 -2.24 105.19 109.69 2a5a n GLY 146 Ca 0.15 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.69 2a5a n GLY 146 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a5a n SER 147 N 0.00 -0.42 -4.84 1.61 7.64 -0.75 -4.53 113.62 112.33 2a5a n SER 147 Ca 0.00 1.00 -0.21 0.00 1.01 0.00 0.00 58.87 60.67 2a5a n SER 147 Cb 0.00 -0.81 -0.04 0.00 -1.01 0.00 0.00 64.21 62.35 2a5a n SER 147 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2a5a s VAL 148 N -0.33 3.03 0.04 0.44 -7.23 -1.25 -0.81 120.40 114.29 2a5a s VAL 148 Ca 0.70 -1.41 0.09 0.00 -1.81 0.00 0.00 61.98 59.55 2a5a s VAL 148 Cb -0.99 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 32.85 2a5a s VAL 148 CO 0.49 -0.09 -0.25 -0.83 -0.31 0.00 0.00 175.10 174.11 2a5a s GLY 149 N -4.03 1.42 0.13 2.32 0.00 -0.24 -2.31 107.32 104.62 2a5a s GLY 149 Ca 0.44 -1.24 -0.20 0.00 0.00 0.00 0.00 44.72 43.71 2a5a s GLY 149 CO 0.26 -1.12 0.51 -0.11 0.00 0.00 0.00 173.10 172.64 2a5a s PHE 150 N -0.81 -0.39 0.39 1.90 -0.12 -0.18 -0.87 117.98 117.91 2a5a s PHE 150 Ca 0.12 0.16 0.07 0.00 -0.05 0.00 0.00 56.93 57.23 2a5a s PHE 150 Cb -0.10 0.41 -0.08 0.00 -0.63 0.00 0.00 43.02 42.62 2a5a s PHE 150 CO 0.02 -0.77 0.00 -0.80 -0.05 0.00 0.00 175.22 173.63 2a5a s ASN 151 N -2.69 3.65 -0.07 1.98 0.01 -0.72 -1.88 114.94 115.22 2a5a s ASN 151 Ca 0.01 -1.34 -0.00 0.00 -0.71 0.00 0.00 52.86 50.81 2a5a s ASN 151 Cb 0.00 -0.35 0.03 0.00 0.41 0.00 0.00 41.25 41.34 2a5a s ASN 151 CO -0.11 -0.44 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.38 2a5a s ILE 152 N -2.77 0.55 -0.19 0.60 1.01 -1.26 -1.24 121.20 117.89 2a5a s ILE 152 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.98 2a5a s ILE 152 Cb 0.09 -0.64 0.02 0.00 0.01 0.00 0.00 42.46 41.94 2a5a s ILE 152 CO 0.17 0.27 -0.17 1.51 0.00 0.00 0.00 174.94 176.72 2a5a s ASP 153 N 1.62 3.39 1.91 3.58 -4.77 -0.21 -4.98 116.67 117.22 2a5a s ASP 153 Ca 0.00 -0.68 0.00 0.00 -3.30 0.00 0.00 52.55 48.58 2a5a s ASP 153 Cb -0.13 -1.52 0.00 0.00 -1.09 0.00 0.00 42.92 40.18 2a5a s ASP 153 CO -0.04 -0.02 0.00 -1.22 0.70 0.00 0.00 175.17 174.59 2a5a n TYR 154 N 4.63 0.00 0.70 2.11 4.01 -1.26 -0.45 117.16 126.90 2a5a n TYR 154 Ca -0.20 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.62 2a5a n TYR 154 Cb 0.49 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.56 2a5a n TYR 154 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2a5a n ASP 155 N 9.91 2.05 -4.67 7.72 5.75 -1.26 -4.99 116.55 131.05 2a5a n ASP 155 Ca 0.00 -1.52 -0.42 0.00 -0.01 0.00 0.00 54.79 52.84 2a5a n ASP 155 Cb 0.00 0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 40.26 2a5a n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a5a s VAL 157 N 2.24 5.15 -0.51 0.00 1.01 -0.64 -1.04 120.40 126.61 2a5a s VAL 157 Ca 0.41 0.76 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 2a5a s VAL 157 Cb -0.17 -3.76 0.13 0.00 0.00 0.00 0.00 36.38 32.58 2a5a s VAL 157 CO 0.13 0.18 0.41 -0.44 0.00 0.00 0.00 175.10 175.38 2a5a s SER 158 N 1.32 5.88 0.13 3.32 0.01 -0.37 -1.45 113.70 122.54 2a5a s SER 158 Ca 0.19 -1.94 -0.30 0.00 1.31 0.00 0.00 55.95 55.21 2a5a s SER 158 Cb -0.15 -2.08 -0.07 0.00 0.21 0.00 0.00 66.02 63.93 2a5a s SER 158 CO 0.09 -0.73 1.27 -0.36 0.41 0.00 0.00 173.24 173.91 2a5a s PHE 159 N 1.34 3.36 0.00 2.43 0.08 0.40 -1.75 117.98 123.83 2a5a s PHE 159 Ca 0.06 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.34 2a5a s PHE 159 Cb -0.26 -3.52 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 2a5a s PHE 159 CO -0.00 -1.64 0.15 0.00 -0.10 0.00 0.00 175.22 173.63 2a5a s TYR 161 N -0.10 -0.33 -0.03 0.00 5.04 -1.17 -4.25 117.35 116.51 2a5a s TYR 161 Ca 0.00 0.78 0.07 0.00 -2.44 0.00 0.00 57.07 55.47 2a5a s TYR 161 Cb 0.00 0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.35 2a5a s TYR 161 CO 0.00 -0.22 -0.23 1.41 -1.34 0.00 0.00 175.55 175.17 2a5a s MET 162 N 1.12 2.00 0.09 4.97 -2.45 0.21 -1.07 119.30 124.16 2a5a s MET 162 Ca -0.08 -0.81 -0.29 0.00 -1.25 0.00 0.00 55.69 53.26 2a5a s MET 162 Cb -0.09 -1.85 -0.06 0.00 1.25 0.00 0.00 34.83 34.08 2a5a s MET 162 CO -0.07 0.44 0.92 -1.58 1.05 0.00 0.00 175.02 175.77 2a5a s HIS 163 N -0.39 3.79 0.00 4.11 2.46 0.01 -1.66 115.29 123.61 2a5a s HIS 163 Ca 0.05 1.72 0.00 0.00 0.47 0.00 0.00 55.06 57.30 2a5a s HIS 163 Cb -0.10 -3.00 0.00 0.00 -0.13 0.00 0.00 32.58 29.35 2a5a s HIS 163 CO 0.00 0.22 0.00 0.72 -2.47 0.00 0.00 174.74 173.22 2a5a n HIS 164 N 2.80 0.00 -3.50 3.88 8.25 -1.15 -0.44 115.22 125.07 2a5a n HIS 164 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 2a5a n HIS 164 Cb 0.49 0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 2a5a n HIS 164 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a5a s MET 165 N -1.81 1.27 -0.02 -0.41 0.23 -0.49 -4.89 119.30 113.18 2a5a s MET 165 Ca 0.00 -0.52 -0.01 0.00 -1.03 0.00 0.00 55.69 54.14 2a5a s MET 165 Cb 0.00 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 33.82 2a5a s MET 165 CO 0.00 -0.56 0.06 -2.00 -2.03 0.00 0.00 175.02 170.49 2a5a s GLU 166 N -3.66 3.03 0.44 3.16 2.12 -1.26 -1.10 118.70 121.42 2a5a s GLU 166 Ca 0.03 -0.48 0.08 0.00 0.36 0.00 0.00 54.97 54.96 2a5a s GLU 166 Cb -0.02 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 31.54 2a5a s GLU 166 CO -0.09 0.66 0.48 -0.51 -0.54 0.00 0.00 175.26 175.25 2a5a s LEU 167 N -1.58 3.42 0.39 2.70 1.43 0.17 -4.95 118.68 120.25 2a5a s LEU 167 Ca 0.21 -0.67 0.10 0.00 -1.03 0.00 0.00 54.13 52.74 2a5a s LEU 167 Cb -0.12 -2.18 0.88 0.00 0.03 0.00 0.00 46.19 44.81 2a5a s LEU 167 CO 0.12 -0.77 1.93 -0.65 0.23 0.00 0.00 176.35 177.21 2a5a h PRO 168 N 0.81 0.58 -0.01 1.29 0.11 -1.86 0.12 132.00 133.05 2a5a h PRO 168 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2a5a h PRO 168 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2a5a h PRO 168 CO 0.52 0.38 0.00 0.25 -0.21 0.00 0.00 178.00 178.94 2a5a n THR 169 N -4.50 0.01 -0.06 -1.15 -2.24 -1.26 -4.91 114.28 100.17 2a5a n THR 169 Ca 0.13 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2a5a n THR 169 Cb 0.37 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2a5a n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a5a n GLY 170 N 1.05 0.87 3.96 3.38 0.00 0.03 -5.07 105.19 109.41 2a5a n GLY 170 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 2a5a n GLY 170 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2a5a s VAL 171 N -2.03 2.82 0.09 1.61 -7.23 -1.26 -4.77 120.40 109.63 2a5a s VAL 171 Ca 0.00 -1.13 0.08 0.00 -1.81 0.00 0.00 61.98 59.13 2a5a s VAL 171 Cb 0.00 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 2a5a s VAL 171 CO 0.00 0.00 -0.22 -1.00 -0.31 0.00 0.00 175.10 173.57 2a5a s HIS 172 N -2.41 1.86 0.01 2.82 0.09 -0.74 0.42 115.29 117.34 2a5a s HIS 172 Ca 0.53 -0.40 -0.01 0.00 -0.00 0.00 0.00 55.06 55.17 2a5a s HIS 172 Cb -0.07 -1.04 -0.01 0.00 -0.00 0.00 0.00 32.58 31.45 2a5a s HIS 172 CO 0.31 0.19 0.00 0.00 -0.00 0.00 0.00 174.74 175.25 2a5a s ALA 173 N -1.06 0.02 0.00 -1.40 0.00 -0.26 -1.52 121.76 117.54 2a5a s ALA 173 Ca 0.08 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2a5a s ALA 173 Cb -0.10 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2a5a s ALA 173 CO 0.04 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2a5a n GLY 174 N 1.83 1.53 3.36 0.00 0.00 -1.26 -1.40 105.19 109.25 2a5a n GLY 174 Ca -0.22 -0.61 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 2a5a n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a5a s THR 175 N -2.19 0.49 0.00 2.61 -4.23 -0.67 -1.50 115.64 110.15 2a5a s THR 175 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2a5a s THR 175 Cb 0.00 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.29 2a5a s THR 175 CO 0.00 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.18 2a5a n ASP 176 N -0.82 0.00 -1.52 3.99 5.68 -0.66 0.63 116.55 123.84 2a5a n ASP 176 Ca -0.00 -0.90 0.10 0.00 -0.50 0.00 0.00 54.79 53.49 2a5a n ASP 176 Cb 0.65 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.98 2a5a n ASP 176 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2a5a n LEU 177 N 0.00 4.57 -0.12 -2.12 7.99 -1.26 -2.15 117.00 123.91 2a5a n LEU 177 Ca 0.00 -2.34 0.10 0.00 -0.01 0.00 0.00 56.01 53.76 2a5a n LEU 177 Cb 0.00 -0.56 -0.09 0.00 -0.11 0.00 0.00 43.42 42.67 2a5a n LEU 177 CO 0.00 0.86 0.04 -0.62 -1.51 0.00 0.00 177.39 176.16 2a5a n GLU 178 N 1.24 0.55 0.00 3.23 1.02 -1.26 -4.99 120.64 120.43 2a5a n GLU 178 Ca 0.25 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2a5a n GLU 178 Cb 0.83 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 2a5a n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a5a n GLY 179 N 1.45 0.84 3.66 0.62 0.00 -0.91 -4.22 105.19 106.63 2a5a n GLY 179 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2a5a n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a5a s LYS 180 N -0.88 4.17 0.81 1.61 1.02 -1.26 -0.82 119.74 124.39 2a5a s LYS 180 Ca 0.00 0.34 -0.13 0.00 0.02 0.00 0.00 55.97 56.21 2a5a s LYS 180 Cb 0.00 -3.56 0.09 0.00 -0.52 0.00 0.00 37.83 33.83 2a5a s LYS 180 CO 0.00 -0.14 1.18 -0.06 -0.92 0.00 0.00 175.35 175.42 2a5a s PHE 181 N 1.60 1.86 -0.21 3.18 0.40 -1.26 -1.66 117.98 121.89 2a5a s PHE 181 Ca 0.22 1.68 -0.17 0.00 -0.60 0.00 0.00 56.93 58.06 2a5a s PHE 181 Cb -0.15 -3.42 -0.03 0.00 0.51 0.00 0.00 43.02 39.92 2a5a s PHE 181 CO 0.09 -2.72 0.47 0.71 0.70 0.00 0.00 175.22 174.47 2a5a s TYR 182 N -2.28 3.36 0.00 0.36 2.02 -0.56 -4.79 117.35 115.46 2a5a s TYR 182 Ca 0.71 0.69 0.00 0.00 -0.37 0.00 0.00 57.07 58.11 2a5a s TYR 182 Cb -0.27 -2.62 0.00 0.00 -0.40 0.00 0.00 41.96 38.67 2a5a s TYR 182 CO 0.51 -0.09 0.00 0.41 -1.57 0.00 0.00 175.55 174.81 2a5a n GLY 183 N 3.97 0.44 0.00 0.71 0.00 -1.26 -4.46 105.19 104.59 2a5a n GLY 183 Ca -0.06 -2.12 0.08 0.00 0.00 0.00 0.00 46.02 43.92 2a5a n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2a5a n PRO 184 N 0.03 0.65 -1.99 1.61 -0.04 -1.26 -4.93 135.00 129.07 2a5a n PRO 184 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2a5a n PRO 184 Cb 0.00 -1.37 0.03 0.00 -0.04 0.00 0.00 33.50 32.12 2a5a n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2a5a s PHE 185 N -2.00 2.56 0.13 0.54 0.08 -1.26 -5.08 117.98 112.94 2a5a s PHE 185 Ca 0.23 1.55 0.05 0.00 0.12 0.00 0.00 56.93 58.88 2a5a s PHE 185 Cb 0.11 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.22 2a5a s PHE 185 CO 0.18 -1.80 -0.11 0.14 -0.10 0.00 0.00 175.22 173.53 2a5a s VAL 186 N -1.95 1.16 -1.15 -0.44 -7.23 -1.26 -4.84 120.40 104.70 2a5a s VAL 186 Ca 0.72 -1.89 -0.06 0.00 -1.81 0.00 0.00 61.98 58.94 2a5a s VAL 186 Cb -0.24 -1.66 0.26 0.00 0.56 0.00 0.00 36.38 35.29 2a5a s VAL 186 CO 0.34 -0.62 1.62 -0.90 -0.31 0.00 0.00 175.10 175.23 2a5a n ASP 187 N 0.15 5.93 -3.73 4.85 5.75 -1.26 -4.84 116.55 123.40 2a5a n ASP 187 Ca -0.13 -3.30 -0.14 0.00 -0.01 0.00 0.00 54.79 51.22 2a5a n ASP 187 Cb 0.59 -1.35 -0.08 0.00 -1.03 0.00 0.00 41.12 39.25 2a5a n ASP 187 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2a5a s ARG 188 N -1.60 0.70 -0.86 0.11 3.52 -1.26 -4.90 118.95 114.66 2a5a s ARG 188 Ca 0.34 -0.06 -0.19 0.00 -0.13 0.00 0.00 55.73 55.70 2a5a s ARG 188 Cb 0.06 0.32 0.13 0.00 -1.56 0.00 0.00 34.95 33.90 2a5a s ARG 188 CO 0.07 -0.19 1.04 -1.14 -0.81 0.00 0.00 175.30 174.27 2a5a s GLN 189 N -1.16 3.49 0.43 5.12 0.74 0.10 -4.97 119.66 123.42 2a5a s GLN 189 Ca -0.12 -1.66 0.05 0.00 0.05 0.00 0.00 55.36 53.68 2a5a s GLN 189 Cb -0.04 -4.73 -0.06 0.00 1.10 0.00 0.00 33.01 29.27 2a5a s GLN 189 CO 0.05 -1.72 0.01 -0.08 -0.55 0.00 0.00 175.29 173.00 2a5a s THR 190 N 2.65 1.73 -0.25 -0.34 -1.32 -1.26 -4.59 115.64 112.26 2a5a s THR 190 Ca 0.28 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.49 2a5a s THR 190 Cb -0.08 -2.77 0.01 0.00 -1.51 0.00 0.00 72.50 68.14 2a5a s THR 190 CO -0.06 0.00 0.95 0.00 -2.21 0.00 0.00 174.62 173.31 2a5a s ALA 191 N -2.79 3.63 -0.03 11.08 0.00 -1.26 -4.98 121.76 127.42 2a5a s ALA 191 Ca 0.28 -0.01 -0.28 0.00 0.00 0.00 0.00 51.96 51.95 2a5a s ALA 191 Cb 0.08 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.80 2a5a s ALA 191 CO 0.14 -1.09 0.61 1.14 0.00 0.00 0.00 175.76 176.56 2a5a s GLN 192 N 3.13 1.00 -0.05 0.00 -2.07 -1.26 -5.17 119.66 115.24 2a5a s GLN 192 Ca 0.40 0.13 -0.15 0.00 -1.82 0.00 0.00 55.36 53.93 2a5a s GLN 192 Cb -0.15 0.47 0.03 0.00 -1.09 0.00 0.00 33.01 32.27 2a5a s GLN 192 CO 0.08 -0.31 0.33 0.00 -1.32 0.00 0.00 175.29 174.07 2a5a s ALA 193 N -1.36 -0.84 0.42 2.60 0.00 -1.26 -4.53 121.76 116.78 2a5a s ALA 193 Ca -0.11 0.53 -0.26 0.00 0.00 0.00 0.00 51.96 52.12 2a5a s ALA 193 Cb -0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 23.12 22.92 2a5a s ALA 193 CO 0.08 -0.24 1.38 0.00 0.00 0.00 0.00 175.76 176.98 2a5a s ALA 194 N -0.92 3.31 1.07 0.00 0.00 -1.26 -5.00 121.76 118.95 2a5a s ALA 194 Ca -0.10 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 2a5a s ALA 194 Cb -0.04 -3.55 0.22 0.00 0.00 0.00 0.00 23.12 19.75 2a5a s ALA 194 CO 0.03 -1.00 1.09 0.41 0.00 0.00 0.00 175.76 176.29 2a5a n GLY 195 N 0.61 -1.86 3.75 0.00 0.00 -1.26 -5.00 105.19 101.43 2a5a n GLY 195 Ca 0.04 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 2a5a n GLY 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a5a s THR 196 N -3.26 2.39 0.55 2.61 -4.23 -1.26 -4.91 115.64 107.53 2a5a s THR 196 Ca 0.64 0.33 0.08 0.00 -1.18 0.00 0.00 61.69 61.56 2a5a s THR 196 Cb -0.03 -3.21 0.07 0.00 1.34 0.00 0.00 72.50 70.67 2a5a s THR 196 CO 0.46 0.05 0.76 -0.62 -0.54 0.00 0.00 174.62 174.74 2a5a s ASP 197 N 0.38 5.16 0.10 3.99 3.68 -1.26 -4.67 116.67 124.05 2a5a s ASP 197 Ca 0.60 -0.66 -0.09 0.00 2.13 0.00 0.00 52.55 54.54 2a5a s ASP 197 Cb -0.44 -0.01 -0.00 0.00 -1.45 0.00 0.00 42.92 41.01 2a5a s ASP 197 CO 0.46 -1.25 0.21 -0.89 0.13 0.00 0.00 175.17 173.83 2a5a s THR 198 N -2.65 0.13 0.08 1.71 2.01 -1.26 -5.03 115.64 110.63 2a5a s THR 198 Ca 0.61 -1.23 -0.22 0.00 0.31 0.00 0.00 61.69 61.16 2a5a s THR 198 Cb -0.07 -1.45 -0.07 0.00 0.01 0.00 0.00 72.50 70.93 2a5a s THR 198 CO 0.38 -0.58 0.64 -0.89 -0.69 0.00 0.00 174.62 173.49 2a5a s THR 199 N -3.88 4.66 -0.85 -0.82 2.01 -0.64 -4.65 115.64 111.48 2a5a s THR 199 Ca 0.08 1.39 -0.25 0.00 0.31 0.00 0.00 61.69 63.21 2a5a s THR 199 Cb 0.05 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 2a5a s THR 199 CO -0.09 0.51 1.77 -0.63 -0.69 0.00 0.00 174.62 175.49 2a5a s ILE 200 N -0.89 3.55 0.19 1.82 1.01 -1.26 -2.06 121.20 123.55 2a5a s ILE 200 Ca 0.32 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.59 2a5a s ILE 200 Cb -0.20 -4.28 0.13 0.00 0.01 0.00 0.00 42.46 38.11 2a5a s ILE 200 CO 0.21 -1.22 1.70 0.74 0.00 0.00 0.00 174.94 176.37 2a5a h THR 201 N 6.98 0.67 -0.62 2.92 2.02 -1.93 -2.04 112.91 120.90 2a5a h THR 201 Ca 0.01 -0.07 0.08 0.00 0.77 0.00 0.00 66.41 67.20 2a5a h THR 201 Cb 1.04 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 67.84 2a5a h THR 201 CO 1.26 0.04 0.27 0.25 0.37 0.00 0.00 175.52 177.71 2a5a h LEU 202 N 0.20 0.33 -0.49 2.58 5.85 -1.91 -1.43 115.31 120.43 2a5a h LEU 202 Ca 0.26 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 2a5a h LEU 202 Cb 0.38 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2a5a h LEU 202 CO -0.37 0.20 0.22 0.78 -0.34 0.00 0.00 178.44 178.93 2a5a h ASN 203 N 0.49 0.66 -0.03 1.25 4.21 -1.62 -1.04 115.58 119.49 2a5a h ASN 203 Ca 0.30 -0.15 -0.00 0.00 1.21 0.00 0.00 56.30 57.66 2a5a h ASN 203 Cb 0.32 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.35 2a5a h ASN 203 CO -0.26 0.62 0.01 0.58 -1.29 0.00 0.00 177.43 177.09 2a5a h VAL 204 N 0.65 1.08 -0.91 2.81 2.07 -0.70 -1.80 116.25 119.45 2a5a h VAL 204 Ca 0.17 -0.25 0.18 0.00 0.82 0.00 0.00 66.70 67.62 2a5a h VAL 204 Cb 0.15 1.20 -0.11 0.00 -1.52 0.00 0.00 31.29 31.02 2a5a h VAL 204 CO -0.02 0.07 0.48 -0.07 0.02 0.00 0.00 177.57 178.05 2a5a h LEU 205 N -0.05 0.55 -1.43 2.57 3.38 -1.14 0.24 115.31 119.44 2a5a h LEU 205 Ca 0.01 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2a5a h LEU 205 Cb 0.10 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2a5a h LEU 205 CO -0.00 0.17 -0.22 0.00 0.09 0.00 0.00 178.44 178.48 2a5a h ALA 206 N 1.63 1.53 0.00 1.53 0.00 -0.55 -2.35 119.26 121.05 2a5a h ALA 206 Ca 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2a5a h ALA 206 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2a5a h ALA 206 CO -0.42 0.34 -0.40 2.35 0.00 0.00 0.00 179.25 181.12 2a5a h TRP 207 N 0.09 0.00 -0.04 0.00 7.01 0.25 -2.09 115.95 121.17 2a5a h TRP 207 Ca 0.02 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.93 2a5a h TRP 207 Cb 0.44 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.51 2a5a h TRP 207 CO 0.00 0.00 -0.33 -0.07 -2.79 0.00 0.00 178.44 175.26 2a5a h LEU 208 N 0.00 0.36 -1.24 0.65 3.38 -0.73 -1.52 115.31 116.21 2a5a h LEU 208 Ca 0.00 -0.69 0.21 0.00 0.09 0.00 0.00 57.88 57.50 2a5a h LEU 208 Cb 0.95 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 2a5a h LEU 208 CO 0.00 0.99 0.62 1.88 0.09 0.00 0.00 178.44 182.03 2a5a h TYR 209 N -0.25 0.82 -0.46 1.13 0.05 -1.31 0.15 116.97 117.10 2a5a h TYR 209 Ca -0.03 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 2a5a h TYR 209 Cb 1.01 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 2a5a h TYR 209 CO 0.14 0.16 -0.04 0.00 -1.05 0.00 0.00 178.16 177.38 2a5a h ALA 210 N 1.63 1.07 -0.16 3.88 0.00 -1.13 0.56 119.26 125.10 2a5a h ALA 210 Ca 0.56 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 2a5a h ALA 210 Cb 1.14 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2a5a h ALA 210 CO -0.31 0.58 -0.60 0.00 0.00 0.00 0.00 179.25 178.93 2a5a h ALA 211 N 1.23 0.29 -0.25 0.00 0.00 0.05 -1.70 119.26 118.88 2a5a h ALA 211 Ca 0.14 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2a5a h ALA 211 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2a5a h ALA 211 CO 0.03 0.54 -0.06 -0.24 0.00 0.00 0.00 179.25 179.51 2a5a h VAL 212 N 0.39 1.19 0.00 0.00 3.04 -0.24 1.47 116.25 122.10 2a5a h VAL 212 Ca -0.03 -0.79 -0.06 0.00 -1.01 0.00 0.00 66.70 64.81 2a5a h VAL 212 Cb 1.23 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.57 2a5a h VAL 212 CO 0.13 0.26 -0.31 0.40 -1.01 0.00 0.00 177.57 177.04 2a5a h ILE 213 N 0.38 0.97 0.00 3.17 2.04 0.55 -1.59 117.51 123.03 2a5a h ILE 213 Ca 0.08 -1.15 -0.19 0.00 1.00 0.00 0.00 64.86 64.60 2a5a h ILE 213 Cb 0.36 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2a5a h ILE 213 CO 0.02 0.30 -1.23 -1.13 0.00 0.00 0.00 178.15 176.10 2a5a h ASN 214 N 0.00 0.00 0.00 1.72 -0.73 -1.20 -0.40 115.58 114.96 2a5a h ASN 214 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2a5a h ASN 214 Cb 0.64 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.23 2a5a h ASN 214 CO 0.04 0.73 0.00 0.61 -0.37 0.00 0.00 177.43 178.44 2a5a n GLY 215 N 1.39 -0.79 3.70 1.57 0.00 0.91 -4.77 105.19 107.21 2a5a n GLY 215 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 2a5a n GLY 215 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a5a s ASP 216 N -0.06 6.59 0.00 1.61 -1.08 0.47 -4.91 116.67 119.29 2a5a s ASP 216 Ca 0.00 0.70 0.02 0.00 -0.52 0.00 0.00 52.55 52.75 2a5a s ASP 216 Cb 0.00 -2.26 0.04 0.00 -1.46 0.00 0.00 42.92 39.24 2a5a s ASP 216 CO 0.00 -0.03 0.83 0.54 0.52 0.00 0.00 175.17 177.03 2a5a n ARG 217 N 3.97 1.27 0.16 4.34 1.74 -1.26 -1.28 116.66 125.60 2a5a n ARG 217 Ca -0.08 -1.16 0.13 0.00 -0.77 0.00 0.00 57.85 55.98 2a5a n ARG 217 Cb 0.51 -1.05 0.49 0.00 -1.02 0.00 0.00 32.46 31.39 2a5a n ARG 217 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2a5a h TRP 218 N 0.44 0.00 -0.02 -1.55 5.08 -1.97 -2.59 115.95 115.35 2a5a h TRP 218 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2a5a h TRP 218 Cb 0.34 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.50 2a5a h TRP 218 CO 0.03 0.00 -0.47 1.97 -1.28 0.00 0.00 178.44 178.69 2a5a n PHE 219 N -2.46 0.00 -1.31 0.12 1.16 -1.26 -4.96 117.46 108.75 2a5a n PHE 219 Ca 0.03 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.32 2a5a n PHE 219 Cb 0.30 0.00 0.16 0.00 -1.61 0.00 0.00 39.48 38.33 2a5a n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2a5a s LEU 220 N -2.45 1.82 0.29 5.98 1.43 -0.98 -4.72 118.68 120.05 2a5a s LEU 220 Ca 0.18 1.13 -0.20 0.00 -1.03 0.00 0.00 54.13 54.21 2a5a s LEU 220 Cb 0.18 -3.39 0.02 0.00 0.03 0.00 0.00 46.19 43.03 2a5a s LEU 220 CO 0.56 -2.86 0.73 0.54 0.23 0.00 0.00 176.35 175.55 2a5a s ASN 221 N -3.67 -0.23 -0.03 2.29 2.20 -1.26 -5.02 114.94 109.21 2a5a s ASN 221 Ca 0.64 -0.66 0.08 0.00 -0.94 0.00 0.00 52.86 51.98 2a5a s ASN 221 Cb -0.17 0.74 0.29 0.00 -2.00 0.00 0.00 41.25 40.11 2a5a s ASN 221 CO 0.56 -1.38 1.15 -2.11 -2.94 0.00 0.00 177.10 172.38 2a5a n ARG 222 N -0.47 2.01 -3.01 3.55 1.85 -1.26 -4.88 116.66 114.46 2a5a n ARG 222 Ca -0.04 -1.16 -0.18 0.00 -1.00 0.00 0.00 57.85 55.46 2a5a n ARG 222 Cb 0.59 -1.43 0.01 0.00 -1.05 0.00 0.00 32.46 30.58 2a5a n ARG 222 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2a5a s PHE 223 N -1.64 2.88 0.21 2.89 0.40 -1.26 -5.13 117.98 116.33 2a5a s PHE 223 Ca 0.21 -0.28 -0.00 0.00 -0.60 0.00 0.00 56.93 56.25 2a5a s PHE 223 Cb 0.13 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 2a5a s PHE 223 CO 0.11 -0.44 0.10 -0.08 0.70 0.00 0.00 175.22 175.61 2a5a s THR 224 N -2.41 0.23 0.06 0.64 -1.32 -1.26 -4.58 115.64 107.00 2a5a s THR 224 Ca 0.54 -1.99 -0.06 0.00 -1.21 0.00 0.00 61.69 58.97 2a5a s THR 224 Cb -0.10 -2.47 -0.01 0.00 -1.51 0.00 0.00 72.50 68.41 2a5a s THR 224 CO 0.34 -0.09 0.10 0.28 -2.21 0.00 0.00 174.62 173.05 2a5a s THR 225 N -3.99 0.16 0.69 5.08 -1.32 -1.19 -4.87 115.64 110.20 2a5a s THR 225 Ca 0.36 -1.30 -0.09 0.00 -1.21 0.00 0.00 61.69 59.45 2a5a s THR 225 Cb 0.07 -1.23 0.03 0.00 -1.51 0.00 0.00 72.50 69.86 2a5a s THR 225 CO 0.11 -0.72 1.04 0.42 -2.21 0.00 0.00 174.62 173.26 2a5a s THR 226 N -3.43 3.10 0.26 5.08 -4.23 -1.26 -4.84 115.64 110.31 2a5a s THR 226 Ca 0.02 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.64 2a5a s THR 226 Cb 0.04 -3.32 0.24 0.00 1.34 0.00 0.00 72.50 70.80 2a5a s THR 226 CO -0.08 -0.38 1.81 0.25 -0.54 0.00 0.00 174.62 175.67 2a5a h LEU 227 N -0.56 0.71 0.08 4.79 6.46 -1.97 -1.98 115.31 122.84 2a5a h LEU 227 Ca -0.45 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.36 2a5a h LEU 227 Cb 1.28 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 2a5a h LEU 227 CO 0.63 0.38 -0.04 0.78 -0.62 0.00 0.00 178.44 179.56 2a5a h ASN 228 N 0.80 -0.09 -0.66 1.25 2.35 -1.93 -0.64 115.58 116.66 2a5a h ASN 228 Ca 0.44 -0.34 0.10 0.00 -0.55 0.00 0.00 56.30 55.94 2a5a h ASN 228 Cb 0.46 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 2a5a h ASN 228 CO -0.28 0.30 0.44 0.44 -1.65 0.00 0.00 177.43 176.69 2a5a h ASP 229 N -0.50 0.46 -0.01 5.81 3.32 -1.95 -2.32 116.42 121.23 2a5a h ASP 229 Ca -0.01 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a5a h ASP 229 Cb 0.43 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 2a5a h ASP 229 CO 0.02 0.28 0.00 0.15 -1.72 0.00 0.00 179.24 177.97 2a5a h PHE 230 N 0.51 0.02 -0.20 4.55 3.57 -0.40 -3.01 116.94 121.98 2a5a h PHE 230 Ca 0.31 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.71 2a5a h PHE 230 Cb 0.51 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2a5a h PHE 230 CO -0.00 0.29 -0.26 -0.91 -2.23 0.00 0.00 178.31 175.19 2a5a h ASN 231 N -0.26 0.38 -0.52 0.41 2.35 -0.84 0.17 115.58 117.27 2a5a h ASN 231 Ca 0.00 -0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2a5a h ASN 231 Cb 0.28 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 2a5a h ASN 231 CO 0.00 0.64 0.34 -0.07 -1.65 0.00 0.00 177.43 176.69 2a5a h LEU 232 N 0.33 0.54 0.32 1.61 3.38 -1.40 0.15 115.31 120.24 2a5a h LEU 232 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2a5a h LEU 232 Cb 0.64 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2a5a h LEU 232 CO 0.05 0.38 -0.15 0.58 0.09 0.00 0.00 178.44 179.38 2a5a h VAL 233 N 0.63 0.05 -0.68 1.22 2.07 -1.19 -3.22 116.25 115.13 2a5a h VAL 233 Ca 0.20 -0.71 0.06 0.00 0.82 0.00 0.00 66.70 67.07 2a5a h VAL 233 Cb 0.03 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 29.81 2a5a h VAL 233 CO -0.05 0.01 -0.40 0.00 0.02 0.00 0.00 177.57 177.15 2a5a n ALA 234 N -2.74 -0.44 -0.26 1.67 0.00 0.52 -1.26 120.51 118.01 2a5a n ALA 234 Ca -0.06 0.58 0.07 0.00 0.00 0.00 0.00 53.44 54.03 2a5a n ALA 234 Cb 0.18 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.83 2a5a n ALA 234 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2a5a h MET 235 N 0.00 0.21 -0.62 0.00 -1.53 -0.84 -0.20 114.93 111.95 2a5a h MET 235 Ca 0.11 -0.01 0.11 0.00 -3.44 0.00 0.00 59.70 56.47 2a5a h MET 235 Cb 0.28 -0.05 -0.09 0.00 -0.55 0.00 0.00 31.60 31.20 2a5a h MET 235 CO -0.64 0.14 0.15 0.87 0.14 0.00 0.00 176.91 177.57 2a5a h LYS 236 N 0.21 0.28 -0.47 0.39 1.57 -1.19 -1.95 116.57 115.41 2a5a h LYS 236 Ca 0.44 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2a5a h LYS 236 Cb 0.79 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2a5a h LYS 236 CO -0.58 0.18 0.00 0.66 -0.57 0.00 0.00 179.45 179.14 2a5a n TYR 237 N -5.11 0.43 -2.88 -1.35 4.02 -0.18 -4.91 117.16 107.17 2a5a n TYR 237 Ca 0.09 -0.18 -0.15 0.00 -0.01 0.00 0.00 57.90 57.66 2a5a n TYR 237 Cb 0.33 -0.09 0.03 0.00 -0.02 0.00 0.00 39.34 39.59 2a5a n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2a5a n ASN 238 N 0.18 -4.63 -4.91 7.72 5.15 -0.62 -4.91 115.26 113.24 2a5a n ASN 238 Ca 0.08 -0.23 -0.31 0.00 -0.60 0.00 0.00 54.58 53.51 2a5a n ASN 238 Cb 0.33 -3.42 -0.04 0.00 -0.53 0.00 0.00 39.78 36.11 2a5a n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2a5a s TYR 239 N -3.03 3.49 0.45 1.20 1.51 -1.04 -1.61 117.35 118.32 2a5a s TYR 239 Ca 0.25 0.45 -0.23 0.00 -1.01 0.00 0.00 57.07 56.53 2a5a s TYR 239 Cb -0.11 -1.92 -0.07 0.00 -0.11 0.00 0.00 41.96 39.75 2a5a s TYR 239 CO 0.31 0.48 1.16 -1.21 -1.11 0.00 0.00 175.55 175.19 2a5a s GLU 240 N -2.63 3.79 0.55 -0.62 2.02 -0.87 -4.18 118.70 116.74 2a5a s GLU 240 Ca 0.39 1.78 -0.21 0.00 0.02 0.00 0.00 54.97 56.95 2a5a s GLU 240 Cb -0.12 -2.43 -0.05 0.00 0.10 0.00 0.00 34.13 31.63 2a5a s GLU 240 CO 0.26 -0.53 1.26 -1.25 0.02 0.00 0.00 175.26 175.02 2a5a s PRO 241 N -2.66 3.19 0.00 0.39 0.04 -1.26 -4.62 135.00 130.09 2a5a s PRO 241 Ca 0.63 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 63.50 2a5a s PRO 241 Cb -0.29 -2.17 -0.06 0.00 0.04 0.00 0.00 34.50 32.03 2a5a s PRO 241 CO 0.35 -1.08 0.48 -1.17 0.04 0.00 0.00 177.00 175.62 2a5a s LEU 242 N -3.63 4.46 0.30 -3.56 2.96 -1.26 -4.97 118.68 112.98 2a5a s LEU 242 Ca 0.72 1.04 0.10 0.00 -0.22 0.00 0.00 54.13 55.78 2a5a s LEU 242 Cb -0.35 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.58 2a5a s LEU 242 CO 0.40 0.25 -0.08 0.42 -1.32 0.00 0.00 176.35 176.01 2a5a s THR 243 N -0.77 2.72 0.55 3.68 -4.23 -1.26 -4.92 115.64 111.43 2a5a s THR 243 Ca 0.26 -2.15 0.26 0.00 -1.18 0.00 0.00 61.69 58.88 2a5a s THR 243 Cb -0.17 -2.61 0.37 0.00 1.34 0.00 0.00 72.50 71.43 2a5a s THR 243 CO 0.15 -0.32 2.04 -0.61 -0.54 0.00 0.00 174.62 175.34 2a5a h GLN 244 N 2.02 0.00 -0.39 3.99 5.75 -1.98 -1.90 115.11 122.60 2a5a h GLN 244 Ca -0.42 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.00 2a5a h GLN 244 Cb 1.25 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.79 2a5a h GLN 244 CO 0.63 0.00 -0.11 -0.44 -2.65 0.00 0.00 178.83 176.26 2a5a h ASP 245 N 0.00 0.66 -0.04 -0.69 3.45 -1.99 -1.76 116.42 116.05 2a5a h ASP 245 Ca 0.16 -0.19 -0.08 0.00 0.43 0.00 0.00 57.03 57.36 2a5a h ASP 245 Cb 0.73 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 2a5a h ASP 245 CO -0.00 0.80 -0.27 0.45 -1.57 0.00 0.00 179.24 178.65 2a5a h HIS 246 N 0.62 0.36 -0.86 4.55 3.86 -1.88 -2.23 115.15 119.56 2a5a h HIS 246 Ca 0.11 -0.16 0.22 0.00 -1.16 0.00 0.00 60.37 59.38 2a5a h HIS 246 Cb 0.55 -0.05 -0.13 0.00 1.06 0.00 0.00 27.41 28.83 2a5a h HIS 246 CO 0.02 0.90 0.27 0.28 0.86 0.00 0.00 177.93 180.27 2a5a h VAL 247 N -0.29 0.38 -0.39 2.45 2.07 -1.27 -1.11 116.25 118.08 2a5a h VAL 247 Ca -0.02 -0.09 -0.13 0.00 0.82 0.00 0.00 66.70 67.28 2a5a h VAL 247 Cb 0.95 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2a5a h VAL 247 CO 0.06 0.05 -0.26 0.44 0.02 0.00 0.00 177.57 177.87 2a5a h ASP 248 N 0.27 0.91 -0.43 0.57 5.19 -1.17 -3.00 116.42 118.76 2a5a h ASP 248 Ca 0.54 -0.43 0.09 0.00 -0.62 0.00 0.00 57.03 56.60 2a5a h ASP 248 Cb 1.05 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.29 2a5a h ASP 248 CO -0.60 1.15 0.30 0.40 -3.12 0.00 0.00 179.24 177.36 2a5a h ILE 249 N 0.69 0.88 -0.19 0.35 2.04 -0.58 0.25 117.51 120.94 2a5a h ILE 249 Ca 0.08 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2a5a h ILE 249 Cb 0.84 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2a5a h ILE 249 CO 0.07 0.04 0.00 0.18 0.00 0.00 0.00 178.15 178.44 2a5a n LEU 250 N -4.46 1.09 0.31 1.44 4.77 -1.06 -4.42 117.00 114.68 2a5a n LEU 250 Ca 0.06 -0.53 -0.18 0.00 -0.03 0.00 0.00 56.01 55.33 2a5a n LEU 250 Cb 0.36 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 2a5a n LEU 250 CO 0.35 0.27 0.55 1.23 -1.33 0.00 0.00 177.39 178.46 2a5a h GLY 251 N 5.49 -1.19 -0.22 -0.72 0.00 -1.04 -1.16 103.07 104.23 2a5a h GLY 251 Ca 0.00 0.54 0.10 0.00 0.00 0.00 0.00 47.33 47.98 2a5a h GLY 251 CO 0.00 -0.38 -0.24 -2.55 0.00 0.00 0.00 176.54 173.37 2a5a h PRO 252 N -1.00 -0.12 -0.74 4.80 0.11 -1.82 -0.39 132.00 132.84 2a5a h PRO 252 Ca -0.06 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 2a5a h PRO 252 Cb 0.85 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.95 2a5a h PRO 252 CO -0.03 -0.08 0.41 -0.07 -0.21 0.00 0.00 178.00 178.02 2a5a h LEU 253 N -0.12 0.92 -1.07 2.35 3.38 -1.84 -0.59 115.31 118.33 2a5a h LEU 253 Ca 0.24 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2a5a h LEU 253 Cb 0.50 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2a5a h LEU 253 CO -0.60 0.74 -0.13 -1.28 0.09 0.00 0.00 178.44 177.26 2a5a h SER 254 N 1.04 0.48 0.20 -0.43 0.87 -0.56 -2.20 113.55 112.95 2a5a h SER 254 Ca 0.26 -0.13 -0.29 0.00 -1.23 0.00 0.00 61.79 60.41 2a5a h SER 254 Cb 0.02 -0.13 0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2a5a h SER 254 CO -0.04 0.65 -1.20 0.00 -0.53 0.00 0.00 176.83 175.71 2a5a h ALA 255 N 1.40 0.06 0.00 6.23 0.00 -0.69 -0.33 119.26 125.93 2a5a h ALA 255 Ca 0.08 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 2a5a h ALA 255 Cb 0.51 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2a5a h ALA 255 CO 0.03 0.74 -0.01 0.37 0.00 0.00 0.00 179.25 180.37 2a5a h GLN 256 N 0.26 0.00 -0.00 0.00 4.15 -0.92 -3.26 115.11 115.34 2a5a h GLN 256 Ca -0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2a5a h GLN 256 Cb 1.87 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.56 2a5a h GLN 256 CO 0.22 0.01 -0.32 0.25 -1.93 0.00 0.00 178.83 177.07 2a5a n THR 257 N -3.83 0.00 -0.93 2.39 -2.24 -0.85 -4.67 114.28 104.15 2a5a n THR 257 Ca -0.03 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2a5a n THR 257 Cb 0.10 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 2a5a n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a5a n GLY 258 N 1.07 0.43 3.60 3.38 0.00 -0.14 -5.00 105.19 108.53 2a5a n GLY 258 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2a5a n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a5a s ILE 259 N -2.11 5.29 0.39 -0.61 1.01 -1.16 -5.04 121.20 118.97 2a5a s ILE 259 Ca 0.00 0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.62 2a5a s ILE 259 Cb 0.00 -3.56 -0.10 0.00 0.01 0.00 0.00 42.46 38.82 2a5a s ILE 259 CO 0.00 0.25 1.38 0.00 0.00 0.00 0.00 174.94 176.56 2a5a s ALA 260 N 1.72 3.39 0.21 9.38 0.00 -1.26 -4.59 121.76 130.61 2a5a s ALA 260 Ca 0.08 1.37 -0.10 0.00 0.00 0.00 0.00 51.96 53.32 2a5a s ALA 260 Cb -0.16 -3.54 0.28 0.00 0.00 0.00 0.00 23.12 19.71 2a5a s ALA 260 CO 0.10 -0.92 1.73 0.28 0.00 0.00 0.00 175.76 176.95 2a5a h VAL 261 N 2.69 0.74 0.00 0.00 2.07 -1.93 0.39 116.25 120.20 2a5a h VAL 261 Ca -0.50 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 2a5a h VAL 261 Cb 1.24 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2a5a h VAL 261 CO 0.63 0.07 -0.16 -0.07 0.02 0.00 0.00 177.57 178.06 2a5a h LEU 262 N 0.37 0.00 -0.02 2.57 3.38 -1.90 0.47 115.31 120.17 2a5a h LEU 262 Ca 0.31 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.05 2a5a h LEU 262 Cb 0.40 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.17 2a5a h LEU 262 CO -0.33 0.16 -0.87 0.44 0.09 0.00 0.00 178.44 177.93 2a5a h ASP 263 N 0.00 0.80 -0.45 -0.43 5.19 -1.47 -1.53 116.42 118.53 2a5a h ASP 263 Ca -0.00 -0.73 -0.02 0.00 -0.62 0.00 0.00 57.03 55.66 2a5a h ASP 263 Cb 0.68 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 2a5a h ASP 263 CO 0.02 1.42 0.24 -0.03 -3.12 0.00 0.00 179.24 177.77 2a5a h MET 264 N 0.26 0.68 0.32 3.56 4.05 0.26 -2.13 114.93 121.93 2a5a h MET 264 Ca -0.10 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.22 2a5a h MET 264 Cb 1.54 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.21 2a5a h MET 264 CO 0.17 0.53 -0.15 0.00 0.23 0.00 0.00 176.91 177.69 2a5a h ALA 266 N 0.24 1.31 -0.51 0.00 0.00 -1.10 0.38 119.26 119.58 2a5a h ALA 266 Ca -0.04 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2a5a h ALA 266 Cb 0.34 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2a5a h ALA 266 CO 0.07 -0.39 0.10 0.00 0.00 0.00 0.00 179.25 179.03 2a5a h ALA 267 N 1.72 0.67 0.16 0.00 0.00 -1.03 -0.93 119.26 119.86 2a5a h ALA 267 Ca 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2a5a h ALA 267 Cb 1.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2a5a h ALA 267 CO -0.58 0.39 -0.08 1.25 0.00 0.00 0.00 179.25 180.23 2a5a h LEU 268 N 0.71 -0.19 -1.68 0.00 6.46 0.26 -1.34 115.31 119.53 2a5a h LEU 268 Ca 0.16 -0.27 0.33 0.00 -0.12 0.00 0.00 57.88 57.98 2a5a h LEU 268 Cb 0.37 0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 40.27 2a5a h LEU 268 CO 0.01 0.19 0.80 0.50 -0.62 0.00 0.00 178.44 179.31 2a5a h LYS 269 N -0.59 0.16 -0.44 1.25 3.64 -0.21 0.84 116.57 121.22 2a5a h LYS 269 Ca -0.02 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 2a5a h LYS 269 Cb 0.44 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2a5a h LYS 269 CO 0.04 0.11 -0.19 1.49 -2.27 0.00 0.00 179.45 178.63 2a5a h GLU 270 N 0.17 0.91 0.00 1.90 4.81 -0.21 0.12 114.58 122.28 2a5a h GLU 270 Ca 0.62 -0.39 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 2a5a h GLU 270 Cb 2.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 2a5a h GLU 270 CO -0.17 1.04 -0.48 -0.07 -0.73 0.00 0.00 179.01 178.60 2a5a h LEU 271 N 0.74 0.00 -0.11 1.64 3.38 0.17 0.71 115.31 121.85 2a5a h LEU 271 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2a5a h LEU 271 Cb 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2a5a h LEU 271 CO 0.06 0.48 -0.09 -0.07 0.09 0.00 0.00 178.44 178.91 2a5a h LEU 272 N 0.00 0.27 0.05 1.67 3.38 -0.72 -1.88 115.31 118.08 2a5a h LEU 272 Ca -0.00 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 2a5a h LEU 272 Cb 0.88 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2a5a h LEU 272 CO 0.06 0.68 -0.02 1.56 0.09 0.00 0.00 178.44 180.81 2a5a h GLN 273 N -0.14 -0.06 -0.13 1.13 4.20 -0.10 -3.33 115.11 116.67 2a5a h GLN 273 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2a5a h GLN 273 Cb 0.60 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2a5a h GLN 273 CO 0.02 0.54 0.00 0.09 -0.67 0.00 0.00 178.83 178.82 2a5a n ASN 274 N -4.76 0.91 -1.41 1.46 4.13 0.24 -5.07 115.26 110.77 2a5a n ASN 274 Ca -0.07 -1.75 0.18 0.00 1.68 0.00 0.00 54.58 54.62 2a5a n ASN 274 Cb 0.31 -0.08 -0.07 0.00 -1.54 0.00 0.00 39.78 38.40 2a5a n ASN 274 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2a5a n GLY 275 N 0.89 -2.49 2.65 7.41 0.00 -0.71 -4.29 105.19 108.66 2a5a n GLY 275 Ca 0.11 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 2a5a n GLY 275 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2a5a n MET 276 N -4.18 4.38 -1.78 1.61 2.81 -1.26 -4.76 117.12 113.94 2a5a n MET 276 Ca -0.04 -3.94 -0.25 0.00 -1.81 0.00 0.00 57.70 51.67 2a5a n MET 276 Cb 0.68 -2.43 -0.05 0.00 -0.71 0.00 0.00 33.22 30.71 2a5a n MET 276 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2a5a s ASN 277 N -0.76 4.55 0.00 7.83 0.01 -1.26 -0.78 114.94 124.52 2a5a s ASN 277 Ca 0.47 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.67 2a5a s ASN 277 Cb 0.26 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.38 2a5a s ASN 277 CO -0.20 -3.16 0.00 0.61 -1.51 0.00 0.00 177.10 172.84 2a5a n GLY 278 N 6.53 1.74 3.94 0.66 0.00 -1.26 -4.99 105.19 111.81 2a5a n GLY 278 Ca 0.39 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 2a5a n GLY 278 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a5a s ARG 279 N -0.79 3.20 0.30 1.61 3.00 0.04 -5.10 118.95 121.20 2a5a s ARG 279 Ca 0.00 -0.93 0.11 0.00 -1.00 0.00 0.00 55.73 53.91 2a5a s ARG 279 Cb 0.00 -2.78 -0.05 0.00 0.00 0.00 0.00 34.95 32.12 2a5a s ARG 279 CO 0.00 0.29 -0.10 0.95 0.00 0.00 0.00 175.30 176.44 2a5a s THR 280 N -2.09 2.70 -0.11 4.11 -4.23 -1.26 -4.62 115.64 110.15 2a5a s THR 280 Ca 0.38 -2.18 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 2a5a s THR 280 Cb -0.09 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.20 2a5a s THR 280 CO 0.29 -0.33 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.29 2a5a s ILE 281 N -2.48 1.29 -1.77 2.99 1.01 0.27 -4.74 121.20 117.77 2a5a s ILE 281 Ca 0.32 -0.50 -0.21 0.00 0.00 0.00 0.00 60.65 60.25 2a5a s ILE 281 Cb -0.03 -1.22 0.20 0.00 0.01 0.00 0.00 42.46 41.41 2a5a s ILE 281 CO 0.17 0.40 0.69 0.18 0.00 0.00 0.00 174.94 176.39 2a5a n LEU 282 N 4.42 -1.26 0.00 2.97 4.77 -1.26 -1.16 117.00 125.48 2a5a n LEU 282 Ca -0.18 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 2a5a n LEU 282 Cb 0.51 -1.84 0.00 0.00 -2.33 0.00 0.00 43.42 39.76 2a5a n LEU 282 CO 0.22 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2a5a n GLY 283 N -1.22 3.13 3.77 -0.72 0.00 -1.26 -4.97 105.19 103.93 2a5a n GLY 283 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2a5a n GLY 283 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a5a s SER 284 N -0.71 7.18 -0.21 1.61 0.01 -0.31 -4.96 113.70 116.32 2a5a s SER 284 Ca 0.00 1.40 -0.15 0.00 1.31 0.00 0.00 55.95 58.51 2a5a s SER 284 Cb 0.00 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 2a5a s SER 284 CO 0.00 0.16 0.39 0.42 0.41 0.00 0.00 173.24 174.61 2a5a s THR 285 N -0.68 5.20 0.00 1.44 -4.23 -1.26 0.96 115.64 117.07 2a5a s THR 285 Ca 0.34 0.67 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 2a5a s THR 285 Cb -0.21 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.92 2a5a s THR 285 CO 0.22 0.24 0.00 2.30 -0.54 0.00 0.00 174.62 176.84 2a5a n ILE 286 N 4.45 0.00 -2.68 2.99 -6.64 -1.26 -5.03 119.36 111.20 2a5a n ILE 286 Ca -0.09 0.00 -0.42 0.00 -1.77 0.00 0.00 62.75 60.47 2a5a n ILE 286 Cb 0.51 0.00 -0.03 0.00 -1.44 0.00 0.00 39.64 38.68 2a5a n ILE 286 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 2a5a s LEU 287 N 0.00 4.26 -0.18 7.28 1.43 -1.26 -4.88 118.68 125.33 2a5a s LEU 287 Ca 0.00 1.55 -0.08 0.00 -1.03 0.00 0.00 54.13 54.57 2a5a s LEU 287 Cb 0.00 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2a5a s LEU 287 CO 0.00 -0.44 0.08 -0.70 0.23 0.00 0.00 176.35 175.51 2a5a s GLU 288 N 1.96 4.00 -0.04 1.70 2.56 -1.26 -4.99 118.70 122.62 2a5a s GLU 288 Ca 0.49 -0.32 0.06 0.00 0.00 0.00 0.00 54.97 55.21 2a5a s GLU 288 Cb -0.19 -3.25 0.10 0.00 2.00 0.00 0.00 34.13 32.79 2a5a s GLU 288 CO 0.19 0.29 0.97 -0.40 -0.56 0.00 0.00 175.26 175.75 2a5a n ASP 289 N 3.49 1.43 -1.57 -1.70 3.85 -1.26 -3.86 116.55 116.92 2a5a n ASP 289 Ca -0.17 -2.21 -0.00 0.00 -0.71 0.00 0.00 54.79 51.71 2a5a n ASP 289 Cb 0.52 -0.18 0.29 0.00 -1.35 0.00 0.00 41.12 40.40 2a5a n ASP 289 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2a5a n GLU 290 N -0.65 3.40 -4.01 0.11 1.02 -1.26 -4.69 120.64 114.56 2a5a n GLU 290 Ca 0.05 -3.05 -0.35 0.00 -0.02 0.00 0.00 57.16 53.80 2a5a n GLU 290 Cb 0.51 -2.07 -0.14 0.00 -0.02 0.00 0.00 31.44 29.72 2a5a n GLU 290 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2a5a s PHE 291 N -2.96 2.96 0.72 -0.32 0.40 -1.26 -4.77 117.98 112.74 2a5a s PHE 291 Ca 0.50 -0.84 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 2a5a s PHE 291 Cb 0.41 -2.08 0.02 0.00 0.51 0.00 0.00 43.02 41.88 2a5a s PHE 291 CO 0.11 -0.47 1.08 0.95 0.70 0.00 0.00 175.22 177.58 2a5a s THR 292 N 1.30 3.70 0.43 0.64 -4.23 -1.26 -4.50 115.64 111.73 2a5a s THR 292 Ca 0.04 0.55 0.19 0.00 -1.18 0.00 0.00 61.69 61.29 2a5a s THR 292 Cb -0.14 -3.39 0.39 0.00 1.34 0.00 0.00 72.50 70.69 2a5a s THR 292 CO -0.02 -0.72 1.87 -0.65 -0.54 0.00 0.00 174.62 174.56 2a5a h PRO 293 N -0.76 0.36 -0.14 3.99 0.11 -1.89 0.49 132.00 134.15 2a5a h PRO 293 Ca -0.45 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 2a5a h PRO 293 Cb 1.24 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.27 2a5a h PRO 293 CO 0.60 0.24 -0.64 0.74 -0.21 0.00 0.00 178.00 178.73 2a5a h PHE 294 N 0.37 0.91 -0.54 0.65 -1.00 -1.96 -1.42 116.94 113.94 2a5a h PHE 294 Ca 0.45 -0.40 0.00 0.00 2.81 0.00 0.00 57.97 60.84 2a5a h PHE 294 Cb 1.18 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 40.57 2a5a h PHE 294 CO -0.00 1.20 0.35 -0.44 -1.61 0.00 0.00 178.31 177.82 2a5a h ASP 295 N 0.36 0.63 -0.16 2.17 3.32 -1.73 -1.13 116.42 119.88 2a5a h ASP 295 Ca -0.04 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.81 2a5a h ASP 295 Cb 1.27 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 2a5a h ASP 295 CO 0.13 0.46 -0.55 0.58 -1.72 0.00 0.00 179.24 178.15 2a5a h VAL 296 N 0.74 1.29 -0.36 -1.35 2.07 -0.49 -2.01 116.25 116.15 2a5a h VAL 296 Ca 0.20 -1.76 -0.05 0.00 0.82 0.00 0.00 66.70 65.91 2a5a h VAL 296 Cb -0.07 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2a5a h VAL 296 CO -0.04 0.56 0.04 0.58 0.02 0.00 0.00 177.57 178.74 2a5a h VAL 297 N 0.58 1.24 -0.25 2.57 2.07 -0.73 0.18 116.25 121.91 2a5a h VAL 297 Ca 0.01 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.70 2a5a h VAL 297 Cb 1.13 1.12 -0.08 0.00 -1.52 0.00 0.00 31.29 31.95 2a5a h VAL 297 CO 0.12 0.30 -0.45 -0.09 0.02 0.00 0.00 177.57 177.46 2a5a h ARG 298 N 0.44 -0.42 0.06 1.57 2.43 -1.20 -3.12 114.38 114.14 2a5a h ARG 298 Ca 0.11 0.03 -0.24 0.00 -0.81 0.00 0.00 59.98 59.07 2a5a h ARG 298 Cb 0.39 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2a5a h ARG 298 CO 0.01 -0.28 -1.06 0.37 -1.51 0.00 0.00 179.97 177.50 2a5a h GLN 299 N -0.43 0.25 -7.50 0.20 4.15 -1.33 -3.47 115.11 106.98 2a5a h GLN 299 Ca 0.09 -0.34 -0.46 0.00 0.77 0.00 0.00 58.65 58.71 2a5a h GLN 299 Cb 0.62 0.11 0.10 0.00 0.21 0.00 0.00 27.48 28.52 2a5a h GLN 299 CO -0.48 1.10 0.32 0.00 -1.93 0.00 0.00 178.83 177.84 2a5a s SER 301 N -4.63 3.68 0.00 0.00 0.15 -1.26 -4.89 113.70 106.75 2a5a s SER 301 Ca 0.64 1.50 0.23 0.00 0.70 0.00 0.00 55.95 59.02 2a5a s SER 301 Cb -0.09 -2.19 0.22 0.00 -1.71 0.00 0.00 66.02 62.26 2a5a s SER 301 CO 0.48 -2.51 1.22 0.61 1.20 0.00 0.00 173.24 174.24 2a5a n GLY 302 N -1.24 -1.14 3.42 9.45 0.00 -1.26 -4.84 105.19 109.58 2a5a n GLY 302 Ca 0.07 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 2a5a n GLY 302 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a5a s VAL 303 N -2.99 3.30 0.09 1.61 1.01 -1.26 -5.08 120.40 117.08 2a5a s VAL 303 Ca 0.10 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 2a5a s VAL 303 Cb 0.17 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 2a5a s VAL 303 CO 0.76 0.52 0.92 -0.89 0.00 0.00 0.00 175.10 176.42 2a5a s THR 304 N 0.23 4.57 -0.83 3.92 2.01 -1.26 -4.97 115.64 119.30 2a5a s THR 304 Ca -0.07 1.98 -0.25 0.00 0.31 0.00 0.00 61.69 63.66 2a5a s THR 304 Cb -0.15 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 2a5a s THR 304 CO 0.04 0.32 1.76 0.12 -0.69 0.00 0.00 174.62 176.18 2a5a s PHE 305 N 0.03 1.96 -2.59 4.92 5.36 -0.16 -5.07 117.98 122.42 2a5a s PHE 305 Ca 0.45 0.32 0.27 0.00 -0.96 0.00 0.00 56.93 57.02 2a5a s PHE 305 Cb -0.23 -4.24 0.89 0.00 -0.34 0.00 0.00 43.02 39.10 2a5a s PHE 305 CO 0.28 -1.97 1.65 0.94 -1.46 0.00 0.00 175.22 174.67