#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m12 s THR 2 N 0.00 2.77 -0.06 2.46 2.01 -0.99 -4.97 115.64 116.86 3m12 s THR 2 Ca 0.00 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.10 3m12 s THR 2 Cb 0.00 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.25 3m12 s THR 2 CO 0.00 0.49 0.52 -2.28 -0.69 0.00 0.00 174.62 172.65 3m12 s HIS 3 N 1.18 3.61 0.38 4.92 2.46 -1.26 -2.72 115.29 123.86 3m12 s HIS 3 Ca 0.02 1.03 0.08 0.00 0.47 0.00 0.00 55.06 56.66 3m12 s HIS 3 Cb -0.14 -2.54 -0.07 0.00 -0.13 0.00 0.00 32.58 29.70 3m12 s HIS 3 CO -0.05 0.31 -0.03 -0.06 -2.47 0.00 0.00 174.74 172.44 3m12 s PHE 4 N 0.06 2.43 -0.01 3.88 0.08 -0.11 -4.99 117.98 119.32 3m12 s PHE 4 Ca 0.28 -0.62 -0.22 0.00 0.12 0.00 0.00 56.93 56.49 3m12 s PHE 4 Cb -0.17 -1.58 -0.21 0.00 -0.57 0.00 0.00 43.02 40.49 3m12 s PHE 4 CO 0.14 0.48 1.13 -0.44 -0.10 0.00 0.00 175.22 176.42 3m12 h ASP 5 N 1.90 0.37 -3.75 1.36 3.45 -1.01 -3.24 116.42 115.51 3m12 h ASP 5 Ca -0.43 -0.70 -0.32 0.00 0.43 0.00 0.00 57.03 56.01 3m12 h ASP 5 Cb 1.24 -0.11 -0.30 0.00 -0.56 0.00 0.00 39.33 39.60 3m12 h ASP 5 CO 0.76 1.02 -0.75 -0.69 -1.57 0.00 0.00 179.24 178.01 3m12 s VAL 6 N -3.44 0.32 -0.14 -1.35 1.01 -0.92 -2.04 120.40 113.84 3m12 s VAL 6 Ca -0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 3m12 s VAL 6 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 3m12 s VAL 6 CO 0.77 0.12 -0.06 -0.63 0.00 0.00 0.00 175.10 175.30 3m12 s ILE 7 N 0.23 3.71 -0.23 2.22 1.01 -0.66 -1.40 121.20 126.08 3m12 s ILE 7 Ca -0.02 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 3m12 s ILE 7 Cb -0.05 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 3m12 s ILE 7 CO -0.00 0.51 0.00 -0.69 0.00 0.00 0.00 174.94 174.75 3m12 s VAL 8 N 0.28 3.73 -0.36 2.92 1.01 0.11 -0.81 120.40 127.27 3m12 s VAL 8 Ca -0.05 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 3m12 s VAL 8 Cb -0.14 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.53 3m12 s VAL 8 CO 0.03 0.38 0.22 -0.69 0.00 0.00 0.00 175.10 175.04 3m12 s VAL 9 N 1.53 4.77 0.00 2.92 1.01 0.10 -0.51 120.40 130.23 3m12 s VAL 9 Ca 0.06 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3m12 s VAL 9 Cb -0.15 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3m12 s VAL 9 CO -0.01 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.54 3m12 n GLY 10 N 5.03 -0.18 2.78 4.51 0.00 0.70 -0.95 105.19 117.09 3m12 n GLY 10 Ca -0.12 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 3m12 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m12 n ALA 11 N 0.33 6.06 -2.10 4.61 0.00 -1.20 -3.74 120.51 124.47 3m12 n ALA 11 Ca 0.00 -4.36 0.00 0.00 0.00 0.00 0.00 53.44 49.08 3m12 n ALA 11 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3m12 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m12 n GLY 12 N -0.35 2.06 0.35 0.00 0.00 -1.26 -4.23 105.19 101.76 3m12 n GLY 12 Ca 0.48 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 3m12 n GLY 12 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3m12 h SER 13 N 0.00 -1.14 0.12 1.61 0.02 -1.93 -0.35 113.55 111.87 3m12 h SER 13 Ca 0.00 0.18 -0.17 0.00 -0.84 0.00 0.00 61.79 60.96 3m12 h SER 13 Cb 0.00 0.50 0.02 0.00 0.14 0.00 0.00 62.40 63.06 3m12 h SER 13 CO 0.00 -0.36 -0.75 0.24 -1.14 0.00 0.00 176.83 174.82 3m12 h MET 14 N -0.35 0.25 -0.59 3.45 2.07 -1.90 -3.27 114.93 114.60 3m12 h MET 14 Ca 0.13 -0.43 -0.05 0.00 -2.07 0.00 0.00 59.70 57.28 3m12 h MET 14 Cb 0.56 0.16 -0.02 0.00 -1.87 0.00 0.00 31.60 30.43 3m12 h MET 14 CO -0.46 1.21 0.18 0.78 1.07 0.00 0.00 176.91 179.69 3m12 h GLY 15 N -0.44 0.98 1.31 8.32 0.00 -1.63 -1.18 103.07 110.44 3m12 h GLY 15 Ca -0.14 -0.58 -0.14 0.00 0.00 0.00 0.00 47.33 46.48 3m12 h GLY 15 CO 0.12 0.54 -0.34 1.98 0.00 0.00 0.00 176.54 178.84 3m12 h MET 16 N 0.83 0.76 -0.51 4.80 4.05 -1.23 0.11 114.93 123.74 3m12 h MET 16 Ca 0.19 -0.37 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 3m12 h MET 16 Cb 0.29 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.06 3m12 h MET 16 CO -0.01 0.99 0.34 0.00 0.23 0.00 0.00 176.91 178.46 3m12 h ALA 17 N 0.98 0.65 -0.64 0.39 0.00 -1.57 -0.90 119.26 118.17 3m12 h ALA 17 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3m12 h ALA 17 Cb 0.88 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3m12 h ALA 17 CO 0.08 0.09 0.37 0.00 0.00 0.00 0.00 179.25 179.79 3m12 h ALA 18 N 1.19 0.82 -0.51 0.00 0.00 -0.94 -1.91 119.26 117.90 3m12 h ALA 18 Ca 0.19 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3m12 h ALA 18 Cb -0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3m12 h ALA 18 CO -0.04 0.31 0.31 0.78 0.00 0.00 0.00 179.25 180.61 3m12 h GLY 19 N 0.87 0.71 0.71 0.00 0.00 -0.62 -0.40 103.07 104.35 3m12 h GLY 19 Ca 0.23 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.36 3m12 h GLY 19 CO -0.04 0.20 0.01 -1.82 0.00 0.00 0.00 176.54 174.89 3m12 h TYR 20 N 0.61 0.00 -0.59 5.60 5.03 -0.97 -0.25 116.97 126.40 3m12 h TYR 20 Ca 0.20 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.53 3m12 h TYR 20 Cb 0.00 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 3m12 h TYR 20 CO -0.06 -0.02 0.39 1.96 -1.32 0.00 0.00 178.16 179.11 3m12 h GLN 21 N 0.07 0.77 -0.09 1.82 1.08 -0.86 -1.88 115.11 116.02 3m12 h GLN 21 Ca 0.09 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 3m12 h GLN 21 Cb 0.11 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.36 3m12 h GLN 21 CO -0.15 0.51 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.16 3m12 h LEU 22 N 0.79 0.17 -1.44 1.46 3.38 -0.92 -3.19 115.31 115.57 3m12 h LEU 22 Ca 0.22 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3m12 h LEU 22 Cb -0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3m12 h LEU 22 CO -0.05 0.48 0.36 0.00 0.09 0.00 0.00 178.44 179.31 3m12 h ALA 23 N 0.70 1.59 -0.05 1.53 0.00 -0.94 -1.65 119.26 120.43 3m12 h ALA 23 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3m12 h ALA 23 Cb 0.40 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3m12 h ALA 23 CO 0.01 0.38 -0.04 -0.22 0.00 0.00 0.00 179.25 179.37 3m12 h LYS 24 N 0.75 0.07 -0.20 0.00 3.64 -1.33 -1.79 116.57 117.72 3m12 h LYS 24 Ca 0.20 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3m12 h LYS 24 Cb -0.07 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3m12 h LYS 24 CO -0.04 0.12 0.00 1.04 -2.27 0.00 0.00 179.45 178.30 3m12 n GLN 25 N -4.44 1.83 -1.00 1.90 6.02 -0.65 -4.92 117.38 116.11 3m12 n GLN 25 Ca -0.02 -1.25 -0.00 0.00 -0.01 0.00 0.00 57.00 55.72 3m12 n GLN 25 Cb 0.15 -1.40 -0.00 0.00 1.02 0.00 0.00 30.24 30.01 3m12 n GLN 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m12 n GLY 26 N 1.17 0.47 3.68 1.08 0.00 -0.67 -5.01 105.19 105.92 3m12 n GLY 26 Ca 0.16 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3m12 n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m12 s VAL 27 N -1.98 4.27 -0.36 1.61 1.01 -1.01 -4.96 120.40 118.98 3m12 s VAL 27 Ca 0.00 1.58 -0.28 0.00 0.00 0.00 0.00 61.98 63.28 3m12 s VAL 27 Cb 0.00 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 3m12 s VAL 27 CO 0.00 -0.03 1.68 -0.75 0.00 0.00 0.00 175.10 176.00 3m12 s LYS 28 N 2.49 3.40 -0.04 2.72 2.20 -1.26 -4.20 119.74 125.05 3m12 s LYS 28 Ca 0.55 1.27 0.07 0.00 -0.36 0.00 0.00 55.97 57.50 3m12 s LYS 28 Cb -0.24 -4.15 -0.01 0.00 -1.51 0.00 0.00 37.83 31.92 3m12 s LYS 28 CO 0.20 -1.78 -0.24 0.99 -0.36 0.00 0.00 175.35 174.16 3m12 s THR 29 N 6.47 1.94 -0.16 3.43 2.01 -1.26 -0.36 115.64 127.71 3m12 s THR 29 Ca 0.74 -1.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.70 3m12 s THR 29 Cb -0.20 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.67 3m12 s THR 29 CO 0.33 0.54 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.49 3m12 s LEU 30 N -0.34 2.80 -0.21 4.42 2.96 -0.49 -1.29 118.68 126.52 3m12 s LEU 30 Ca 0.03 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 3m12 s LEU 30 Cb -0.11 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 3m12 s LEU 30 CO 0.01 0.10 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.34 3m12 s LEU 31 N 0.76 2.90 -0.14 -0.68 1.43 0.67 0.05 118.68 123.67 3m12 s LEU 31 Ca -0.04 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3m12 s LEU 31 Cb -0.15 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 3m12 s LEU 31 CO 0.02 -0.00 -0.12 -0.69 0.23 0.00 0.00 176.35 175.78 3m12 s VAL 32 N 1.37 3.09 0.00 -1.59 1.01 0.34 -0.18 120.40 124.44 3m12 s VAL 32 Ca 0.05 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3m12 s VAL 32 Cb -0.14 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3m12 s VAL 32 CO -0.03 0.52 -0.07 -0.62 0.00 0.00 0.00 175.10 174.91 3m12 s ASP 33 N 0.43 0.76 0.55 3.32 2.15 0.00 -0.21 116.67 123.67 3m12 s ASP 33 Ca -0.09 -0.16 0.32 0.00 0.43 0.00 0.00 52.55 53.04 3m12 s ASP 33 Cb -0.16 -0.07 1.56 0.00 -0.30 0.00 0.00 42.92 43.96 3m12 s ASP 33 CO 0.05 0.05 2.08 0.00 -0.17 0.00 0.00 175.17 177.18 3m12 h ALA 34 N 5.83 1.14 -3.00 3.66 0.00 -1.85 0.60 119.26 125.65 3m12 h ALA 34 Ca -0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3m12 h ALA 34 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3m12 h ALA 34 CO 0.49 0.10 0.00 1.19 0.00 0.00 0.00 179.25 181.03 3m12 n PHE 35 N -3.38 0.00 -3.78 0.00 3.72 -1.26 -3.74 117.46 109.03 3m12 n PHE 35 Ca -0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 3m12 n PHE 35 Cb 0.24 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.65 3m12 n PHE 35 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3m12 s ASP 36 N 1.00 3.83 0.34 4.37 3.68 -1.26 -1.43 116.67 127.20 3m12 s ASP 36 Ca 0.00 -2.73 -0.27 0.00 2.13 0.00 0.00 52.55 51.67 3m12 s ASP 36 Cb 0.00 -1.20 -0.09 0.00 -1.45 0.00 0.00 42.92 40.18 3m12 s ASP 36 CO 0.00 -0.26 1.12 -2.84 0.13 0.00 0.00 175.17 173.32 3m12 s PRO 37 N 0.17 4.38 0.41 4.34 0.02 -1.26 -3.78 135.00 139.28 3m12 s PRO 37 Ca 0.17 1.78 -0.24 0.00 0.02 0.00 0.00 61.00 62.74 3m12 s PRO 37 Cb -0.25 -2.92 -0.09 0.00 0.02 0.00 0.00 34.50 31.26 3m12 s PRO 37 CO 0.00 -0.02 1.05 -1.25 -0.33 0.00 0.00 177.00 176.46 3m12 s PRO 38 N -1.89 4.12 0.27 5.54 0.04 -1.26 -4.82 135.00 136.99 3m12 s PRO 38 Ca 0.50 1.51 0.06 0.00 0.04 0.00 0.00 61.00 63.11 3m12 s PRO 38 Cb -0.30 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 3m12 s PRO 38 CO 0.39 -0.18 0.21 -2.39 0.04 0.00 0.00 177.00 175.07 3m12 n HIS 39 N -0.16 -0.56 -0.94 0.56 1.44 -1.25 -5.07 115.22 109.24 3m12 n HIS 39 Ca 0.05 -2.20 0.08 0.00 -2.01 0.00 0.00 57.72 53.65 3m12 n HIS 39 Cb 0.50 0.21 0.26 0.00 0.12 0.00 0.00 29.99 31.08 3m12 n HIS 39 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3m12 n THR 40 N -0.52 2.24 0.83 0.61 -2.24 -1.26 -4.35 114.28 109.59 3m12 n THR 40 Ca 0.05 -1.80 0.08 0.00 -2.27 0.00 0.00 64.05 60.12 3m12 n THR 40 Cb 0.48 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.41 3m12 n THR 40 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3m12 n ASN 41 N -0.37 0.97 0.00 3.42 5.03 -1.26 -4.96 115.26 118.09 3m12 n ASN 41 Ca 0.21 -0.99 0.00 0.00 0.87 0.00 0.00 54.58 54.68 3m12 n ASN 41 Cb 0.89 0.92 0.00 0.00 -1.02 0.00 0.00 39.78 40.57 3m12 n ASN 41 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3m12 n GLY 42 N 1.39 2.29 0.30 7.41 0.00 -1.26 -4.97 105.19 110.35 3m12 n GLY 42 Ca 0.04 -0.51 0.03 0.00 0.00 0.00 0.00 46.02 45.58 3m12 n GLY 42 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m12 n SER 43 N 0.00 2.44 -0.18 1.61 7.64 -1.26 -3.43 113.62 120.43 3m12 n SER 43 Ca 0.00 -2.00 0.02 0.00 1.01 0.00 0.00 58.87 57.90 3m12 n SER 43 Cb 0.00 -0.11 0.03 0.00 -1.01 0.00 0.00 64.21 63.12 3m12 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m12 n HIS 44 N -0.03 0.05 -2.75 1.43 1.44 -1.26 -4.80 115.22 109.30 3m12 n HIS 44 Ca 0.05 -0.15 -0.05 0.00 -2.01 0.00 0.00 57.72 55.57 3m12 n HIS 44 Cb 0.33 -0.01 0.02 0.00 0.12 0.00 0.00 29.99 30.45 3m12 n HIS 44 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 3m12 n HIS 45 N 0.12 -3.00 -0.63 -1.40 -0.00 -1.26 -3.96 115.22 105.10 3m12 n HIS 45 Ca 0.03 -0.47 0.00 0.00 -0.00 0.00 0.00 57.72 57.28 3m12 n HIS 45 Cb 0.16 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 30.01 3m12 n HIS 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3m12 n GLY 46 N 3.25 0.67 5.00 -1.39 0.00 -1.26 -4.70 105.19 106.76 3m12 n GLY 46 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3m12 n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3m12 n ASP 47 N 0.35 0.00 -4.26 1.61 9.92 -1.26 -4.87 116.55 118.03 3m12 n ASP 47 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.03 3m12 n ASP 47 Cb 0.00 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.35 3m12 n ASP 47 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3m12 s THR 48 N 0.00 1.60 -0.00 -3.53 -4.23 -1.26 -1.26 115.64 106.95 3m12 s THR 48 Ca 0.00 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 3m12 s THR 48 Cb 0.00 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.39 3m12 s THR 48 CO 0.00 -0.04 -0.00 -0.13 -0.54 0.00 0.00 174.62 173.90 3m12 s ARG 49 N -1.75 0.06 0.15 3.99 1.81 0.09 -4.87 118.95 118.43 3m12 s ARG 49 Ca 0.05 -0.00 -0.30 0.00 -1.72 0.00 0.00 55.73 53.76 3m12 s ARG 49 Cb -0.10 -0.09 -0.07 0.00 -0.45 0.00 0.00 34.95 34.24 3m12 s ARG 49 CO 0.03 -0.01 1.03 0.42 -0.68 0.00 0.00 175.30 176.10 3m12 s ILE 50 N 0.11 4.14 -0.17 1.52 -1.09 -1.26 -0.11 121.20 124.35 3m12 s ILE 50 Ca -0.01 1.83 -0.02 0.00 -2.23 0.00 0.00 60.65 60.23 3m12 s ILE 50 Cb -0.02 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.68 3m12 s ILE 50 CO -0.00 0.31 -0.09 -0.51 -1.23 0.00 0.00 174.94 173.41 3m12 s ILE 51 N -0.19 3.17 0.15 2.92 2.07 -0.10 -4.42 121.20 124.80 3m12 s ILE 51 Ca 0.48 -0.59 0.10 0.00 -1.41 0.00 0.00 60.65 59.23 3m12 s ILE 51 Cb -0.27 -2.38 -0.04 0.00 0.13 0.00 0.00 42.46 39.90 3m12 s ILE 51 CO 0.32 0.48 -0.21 -0.13 -1.91 0.00 0.00 174.94 173.50 3m12 s ARG 52 N 0.88 1.64 -0.16 3.50 0.52 -1.26 -1.96 118.95 122.11 3m12 s ARG 52 Ca -0.02 -1.34 -0.06 0.00 -0.52 0.00 0.00 55.73 53.79 3m12 s ARG 52 Cb -0.15 -1.98 -0.08 0.00 0.52 0.00 0.00 34.95 33.26 3m12 s ARG 52 CO 0.00 0.44 -0.19 0.72 0.02 0.00 0.00 175.30 176.29 3m12 n HIS 53 N 0.56 0.00 -2.06 -0.53 8.25 -1.26 -4.87 115.22 115.31 3m12 n HIS 53 Ca -0.15 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.89 3m12 n HIS 53 Cb 0.54 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 31.04 3m12 n HIS 53 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m12 s ALA 54 N -2.30 3.59 -0.35 -1.41 0.00 -1.26 -4.59 121.76 115.43 3m12 s ALA 54 Ca -0.22 0.85 -0.03 0.00 0.00 0.00 0.00 51.96 52.56 3m12 s ALA 54 Cb 0.08 -3.74 0.08 0.00 0.00 0.00 0.00 23.12 19.53 3m12 s ALA 54 CO 0.30 -1.42 0.10 -0.47 0.00 0.00 0.00 175.76 174.27 3m12 s TYR 55 N 4.10 3.41 0.36 0.00 6.14 -1.26 -4.90 117.35 125.20 3m12 s TYR 55 Ca 0.71 -2.08 0.32 0.00 0.64 0.00 0.00 57.07 56.66 3m12 s TYR 55 Cb -0.31 -2.62 1.57 0.00 0.42 0.00 0.00 41.96 41.01 3m12 s TYR 55 CO 0.28 -0.87 2.08 0.78 0.64 0.00 0.00 175.55 178.46 3m12 h GLY 56 N 8.04 0.00 1.94 8.97 0.00 -1.81 -1.60 103.07 118.61 3m12 h GLY 56 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3m12 h GLY 56 CO 0.61 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.33 3m12 n GLU 57 N -3.38 0.06 0.00 4.80 4.71 -1.26 -4.61 120.64 120.96 3m12 n GLU 57 Ca -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3m12 n GLU 57 Cb 0.24 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.17 3m12 n GLU 57 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3m12 n GLY 58 N 1.36 3.84 0.33 0.62 0.00 -0.60 -4.98 105.19 105.76 3m12 n GLY 58 Ca 0.08 -0.36 0.22 0.00 0.00 0.00 0.00 46.02 45.95 3m12 n GLY 58 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3m12 h ARG 59 N 0.00 0.00 0.00 1.61 0.11 -1.86 -2.87 114.38 111.37 3m12 h ARG 59 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3m12 h ARG 59 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3m12 h ARG 59 CO 0.00 0.00 0.00 -0.85 0.10 0.00 0.00 179.97 179.22 3m12 n GLU 60 N -3.15 0.02 0.01 0.08 0.00 -1.26 -2.12 120.64 114.22 3m12 n GLU 60 Ca -0.03 0.17 0.13 0.00 0.00 0.00 0.00 57.16 57.43 3m12 n GLU 60 Cb 0.09 -1.50 0.44 0.00 0.00 0.00 0.00 31.44 30.47 3m12 n GLU 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3m12 n TYR 61 N -1.48 0.10 0.02 -1.84 4.01 -1.08 -4.51 117.16 112.38 3m12 n TYR 61 Ca 0.05 0.03 -0.11 0.00 -0.16 0.00 0.00 57.90 57.71 3m12 n TYR 61 Cb 0.22 -0.45 -0.05 0.00 -0.31 0.00 0.00 39.34 38.74 3m12 n TYR 61 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3m12 h VAL 62 N 0.00 0.86 -0.64 -0.72 2.07 -1.65 -0.96 116.25 115.21 3m12 h VAL 62 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3m12 h VAL 62 Cb 0.53 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3m12 h VAL 62 CO 0.00 0.00 0.41 -0.65 0.02 0.00 0.00 177.57 177.35 3m12 h PRO 63 N -0.06 0.84 -0.32 1.57 0.11 -1.83 0.60 132.00 132.91 3m12 h PRO 63 Ca 0.04 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.96 3m12 h PRO 63 Cb 0.12 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3m12 h PRO 63 CO -0.09 0.57 -0.35 1.25 -0.21 0.00 0.00 178.00 179.17 3m12 h LEU 64 N 0.87 0.75 -0.68 2.35 5.85 -1.77 -1.08 115.31 121.60 3m12 h LEU 64 Ca 0.23 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 3m12 h LEU 64 Cb -0.09 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3m12 h LEU 64 CO -0.05 1.03 0.20 0.00 -0.34 0.00 0.00 178.44 179.29 3m12 h ALA 65 N 1.01 0.89 -0.35 1.25 0.00 -0.31 0.34 119.26 122.09 3m12 h ALA 65 Ca 0.06 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3m12 h ALA 65 Cb 0.88 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3m12 h ALA 65 CO 0.08 0.58 -0.10 -0.07 0.00 0.00 0.00 179.25 179.73 3m12 h LEU 66 N 1.00 0.70 -0.72 0.00 3.38 -0.76 -0.55 115.31 118.36 3m12 h LEU 66 Ca 0.22 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3m12 h LEU 66 Cb 0.31 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3m12 h LEU 66 CO -0.01 0.91 0.30 -0.09 0.09 0.00 0.00 178.44 179.64 3m12 h ARG 67 N 0.47 1.07 -0.63 1.13 9.65 -1.11 -2.09 114.38 122.87 3m12 h ARG 67 Ca 0.09 -0.19 -0.03 0.00 -1.10 0.00 0.00 59.98 58.75 3m12 h ARG 67 Cb 0.62 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 3m12 h ARG 67 CO 0.04 0.87 0.28 0.77 2.80 0.00 0.00 179.97 184.73 3m12 h SER 68 N 1.03 0.85 -0.61 -3.80 0.02 -0.76 -1.23 113.55 109.05 3m12 h SER 68 Ca 0.24 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3m12 h SER 68 Cb 0.20 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3m12 h SER 68 CO -0.02 0.77 0.38 -0.61 -1.14 0.00 0.00 176.83 176.20 3m12 h GLN 69 N 0.88 0.73 -0.57 3.45 5.75 -0.87 0.38 115.11 124.87 3m12 h GLN 69 Ca 0.22 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.73 3m12 h GLN 69 Cb 0.16 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.49 3m12 h GLN 69 CO -0.02 0.49 0.27 0.93 -2.65 0.00 0.00 178.83 177.84 3m12 h GLU 70 N 0.76 0.49 -0.30 1.69 5.08 -0.95 -1.37 114.58 119.96 3m12 h GLU 70 Ca 0.24 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 3m12 h GLU 70 Cb -0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3m12 h GLU 70 CO -0.09 0.32 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.02 3m12 h LEU 71 N 0.50 0.53 -0.56 1.33 3.38 -0.65 -1.40 115.31 118.43 3m12 h LEU 71 Ca 0.26 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3m12 h LEU 71 Cb 0.22 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3m12 h LEU 71 CO -0.21 0.70 -0.03 -0.50 0.09 0.00 0.00 178.44 178.49 3m12 h TRP 72 N 0.49 1.12 -0.69 1.13 -0.00 -0.40 -0.31 115.95 117.29 3m12 h TRP 72 Ca 0.08 -0.21 -0.04 0.00 -0.00 0.00 0.00 58.89 58.73 3m12 h TRP 72 Cb 0.55 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.16 29.40 3m12 h TRP 72 CO 0.02 1.01 0.28 1.88 -0.00 0.00 0.00 178.44 181.64 3m12 h TYR 73 N 0.90 1.02 -0.46 0.49 0.05 -0.99 -0.52 116.97 117.46 3m12 h TYR 73 Ca 0.16 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.87 3m12 h TYR 73 Cb 0.59 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 3m12 h TYR 73 CO 0.04 0.78 0.29 0.93 -1.05 0.00 0.00 178.16 179.15 3m12 h GLU 74 N 1.00 0.62 -0.50 4.88 5.08 -0.91 -2.78 114.58 121.97 3m12 h GLU 74 Ca 0.23 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3m12 h GLU 74 Cb 0.18 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3m12 h GLU 74 CO -0.02 0.44 0.22 1.25 -1.00 0.00 0.00 179.01 179.89 3m12 h LEU 75 N 0.62 0.68 -0.81 1.33 5.85 -0.52 -2.18 115.31 120.28 3m12 h LEU 75 Ca 0.17 -0.15 0.19 0.00 0.84 0.00 0.00 57.88 58.92 3m12 h LEU 75 Cb -0.03 -0.18 -0.12 0.00 0.37 0.00 0.00 40.66 40.70 3m12 h LEU 75 CO -0.03 0.64 0.27 -0.08 -0.34 0.00 0.00 178.44 178.90 3m12 h GLU 76 N 0.67 0.32 0.00 1.25 4.57 -1.01 0.14 114.58 120.52 3m12 h GLU 76 Ca 0.17 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 3m12 h GLU 76 Cb 0.17 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3m12 h GLU 76 CO -0.02 0.21 -0.17 0.87 -1.18 0.00 0.00 179.01 178.72 3m12 h LYS 77 N 0.33 0.00 0.00 1.92 1.57 -1.13 -3.27 116.57 116.00 3m12 h LYS 77 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 3m12 h LYS 77 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3m12 h LYS 77 CO -0.52 0.17 -0.87 0.39 -0.57 0.00 0.00 179.45 178.05 3m12 n GLU 78 N -3.33 0.27 -4.28 3.15 1.02 0.00 -4.96 120.64 112.51 3m12 n GLU 78 Ca 0.00 0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 57.01 3m12 n GLU 78 Cb 0.40 -1.61 -0.10 0.00 -0.02 0.00 0.00 31.44 30.11 3m12 n GLU 78 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3m12 s THR 79 N -3.17 1.12 -0.64 2.62 -1.32 -0.98 -5.04 115.64 108.23 3m12 s THR 79 Ca 0.05 -2.05 0.25 0.00 -1.21 0.00 0.00 61.69 58.72 3m12 s THR 79 Cb 0.14 -2.03 0.16 0.00 -1.51 0.00 0.00 72.50 69.26 3m12 s THR 79 CO 0.77 -0.59 1.50 1.12 -2.21 0.00 0.00 174.62 175.21 3m12 h HIS 80 N 2.67 0.00 -3.91 9.09 2.07 -1.91 -3.47 115.15 119.69 3m12 h HIS 80 Ca -0.37 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 56.65 3m12 h HIS 80 Cb 1.20 0.00 0.03 0.00 2.57 0.00 0.00 27.41 31.21 3m12 h HIS 80 CO 0.62 0.00 0.47 -1.01 -3.07 0.00 0.00 177.93 174.94 3m12 s HIS 81 N -3.16 3.26 0.04 6.12 3.76 -1.26 -5.00 115.29 119.06 3m12 s HIS 81 Ca 0.08 1.62 -0.31 0.00 -0.15 0.00 0.00 55.06 56.30 3m12 s HIS 81 Cb 0.12 -3.28 -0.06 0.00 1.11 0.00 0.00 32.58 30.47 3m12 s HIS 81 CO 0.67 -0.91 1.30 0.21 -0.85 0.00 0.00 174.74 175.17 3m12 s LYS 82 N -2.14 4.35 -0.20 1.40 2.47 -1.26 -4.89 119.74 119.48 3m12 s LYS 82 Ca 0.54 1.89 -0.08 0.00 -1.56 0.00 0.00 55.97 56.76 3m12 s LYS 82 Cb -0.28 -3.41 -0.09 0.00 -1.46 0.00 0.00 37.83 32.59 3m12 s LYS 82 CO 0.36 -0.41 -0.24 -0.89 0.16 0.00 0.00 175.35 174.32 3m12 n ILE 83 N 4.22 1.08 -3.78 5.43 2.08 -1.26 -4.58 119.36 122.55 3m12 n ILE 83 Ca 0.11 -0.30 -0.13 0.00 0.56 0.00 0.00 62.75 62.99 3m12 n ILE 83 Cb 0.45 -1.67 -0.14 0.00 -0.75 0.00 0.00 39.64 37.53 3m12 n ILE 83 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 3m12 s PHE 84 N -2.36 -0.16 -0.12 1.39 2.19 -1.26 -1.27 117.98 116.38 3m12 s PHE 84 Ca -0.27 0.44 0.03 0.00 0.33 0.00 0.00 56.93 57.46 3m12 s PHE 84 Cb 0.10 -0.02 0.01 0.00 -1.31 0.00 0.00 43.02 41.79 3m12 s PHE 84 CO 0.36 -0.13 -0.22 0.99 1.83 0.00 0.00 175.22 178.05 3m12 s THR 85 N 0.71 2.02 -1.33 0.12 2.01 -0.30 -5.00 115.64 113.87 3m12 s THR 85 Ca -0.05 -0.97 -0.13 0.00 0.31 0.00 0.00 61.69 60.85 3m12 s THR 85 Cb -0.07 -1.77 0.12 0.00 0.01 0.00 0.00 72.50 70.79 3m12 s THR 85 CO -0.03 0.55 1.90 1.17 -0.69 0.00 0.00 174.62 177.51 3m12 n LYS 86 N 3.85 3.29 0.21 4.92 4.81 -1.26 -1.07 118.16 132.90 3m12 n LYS 86 Ca -0.20 -3.26 0.14 0.00 -0.87 0.00 0.00 58.31 54.13 3m12 n LYS 86 Cb 0.52 -3.13 0.42 0.00 0.02 0.00 0.00 35.03 32.86 3m12 n LYS 86 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3m12 h THR 87 N 4.21 0.00 -0.45 3.15 1.35 -1.85 -3.47 112.91 115.84 3m12 h THR 87 Ca 0.44 -0.64 0.05 0.00 -0.55 0.00 0.00 66.41 65.71 3m12 h THR 87 Cb 0.70 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.70 3m12 h THR 87 CO 1.63 0.00 -0.16 0.61 -0.25 0.00 0.00 175.52 177.34 3m12 n GLY 88 N 0.64 -2.69 2.92 5.82 0.00 -0.21 -4.36 105.19 107.32 3m12 n GLY 88 Ca 0.03 -1.40 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 3m12 n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m12 s VAL 89 N -3.12 0.84 -0.18 1.61 1.01 -0.50 -1.77 120.40 118.29 3m12 s VAL 89 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 3m12 s VAL 89 Cb 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 3m12 s VAL 89 CO 0.00 0.31 0.19 -0.22 0.00 0.00 0.00 175.10 175.38 3m12 s LEU 90 N 1.16 4.23 -0.15 3.92 2.96 0.27 -1.18 118.68 129.89 3m12 s LEU 90 Ca -0.06 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 3m12 s LEU 90 Cb -0.14 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.36 3m12 s LEU 90 CO -0.01 0.16 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.29 3m12 s VAL 91 N 0.36 2.30 0.12 1.68 1.01 -0.28 -1.65 120.40 123.95 3m12 s VAL 91 Ca 0.11 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 3m12 s VAL 91 Cb -0.12 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3m12 s VAL 91 CO 0.00 0.53 0.02 0.72 0.00 0.00 0.00 175.10 176.38 3m12 s PHE 92 N 0.89 0.88 -0.08 5.22 -0.12 -1.25 -0.77 117.98 122.74 3m12 s PHE 92 Ca -0.05 -1.15 -0.32 0.00 -0.05 0.00 0.00 56.93 55.37 3m12 s PHE 92 Cb -0.15 -0.51 0.14 0.00 -0.63 0.00 0.00 43.02 41.86 3m12 s PHE 92 CO -0.03 -0.41 1.40 0.20 -0.05 0.00 0.00 175.22 176.33 3m12 s GLY 93 N -3.05 -0.43 0.18 1.99 0.00 -0.90 -1.38 107.32 103.73 3m12 s GLY 93 Ca 0.21 0.76 -0.31 0.00 0.00 0.00 0.00 44.72 45.38 3m12 s GLY 93 CO -0.00 1.45 1.39 2.56 0.00 0.00 0.00 173.10 178.50 3m12 s PRO 94 N -2.07 4.32 0.11 2.90 0.04 -1.26 -1.34 135.00 137.70 3m12 s PRO 94 Ca 0.18 2.16 -0.32 0.00 0.04 0.00 0.00 61.00 63.06 3m12 s PRO 94 Cb 0.06 -3.18 -0.11 0.00 0.04 0.00 0.00 34.50 31.30 3m12 s PRO 94 CO -0.06 -0.39 1.81 1.17 0.04 0.00 0.00 177.00 179.58 3m12 n LYS 95 N 3.07 2.67 -0.99 4.56 4.81 0.46 -1.59 118.16 131.15 3m12 n LYS 95 Ca 0.09 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.50 3m12 n LYS 95 Cb 0.41 -2.85 0.00 0.00 0.02 0.00 0.00 35.03 32.62 3m12 n LYS 95 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3m12 n GLY 96 N 4.15 0.92 0.03 3.14 0.00 -1.26 -4.86 105.19 107.32 3m12 n GLY 96 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 3m12 n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3m12 n GLU 97 N -2.08 2.20 -3.83 1.61 1.02 -0.62 -4.95 120.64 113.98 3m12 n GLU 97 Ca 0.00 -1.62 -0.28 0.00 -0.02 0.00 0.00 57.16 55.24 3m12 n GLU 97 Cb 0.00 -1.04 -0.16 0.00 -0.02 0.00 0.00 31.44 30.21 3m12 n GLU 97 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3m12 s SER 98 N -1.32 2.86 0.35 1.62 0.15 -1.23 -4.85 113.70 111.27 3m12 s SER 98 Ca 0.07 -0.73 0.04 0.00 0.70 0.00 0.00 55.95 56.04 3m12 s SER 98 Cb 0.06 -0.78 0.64 0.00 -1.71 0.00 0.00 66.02 64.24 3m12 s SER 98 CO 0.01 -0.24 1.92 0.00 1.20 0.00 0.00 173.24 176.13 3m12 h ALA 99 N 8.17 1.44 -0.01 5.45 0.00 -1.96 -1.60 119.26 130.75 3m12 h ALA 99 Ca -0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3m12 h ALA 99 Cb 1.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3m12 h ALA 99 CO 0.36 0.41 0.00 0.35 0.00 0.00 0.00 179.25 180.38 3m12 h PHE 100 N 0.56 0.01 -0.68 0.00 3.57 -1.94 -0.28 116.94 118.19 3m12 h PHE 100 Ca 0.13 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 3m12 h PHE 100 Cb 0.22 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3m12 h PHE 100 CO 0.01 0.17 0.25 0.28 -2.23 0.00 0.00 178.31 176.78 3m12 h VAL 101 N -0.14 1.25 -0.26 1.41 2.07 -1.88 -1.78 116.25 116.91 3m12 h VAL 101 Ca 0.00 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3m12 h VAL 101 Cb 0.16 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3m12 h VAL 101 CO -0.00 0.32 0.11 0.00 0.02 0.00 0.00 177.57 178.02 3m12 h ALA 102 N 1.11 0.34 -0.10 1.67 0.00 -1.15 -1.46 119.26 119.66 3m12 h ALA 102 Ca 0.22 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3m12 h ALA 102 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3m12 h ALA 102 CO -0.01 -0.08 -0.38 1.49 0.00 0.00 0.00 179.25 180.27 3m12 h GLU 103 N 0.27 0.21 -0.22 0.00 4.57 -1.00 -0.73 114.58 117.68 3m12 h GLU 103 Ca 0.09 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3m12 h GLU 103 Cb 0.16 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3m12 h GLU 103 CO -0.01 0.57 0.12 1.15 -1.18 0.00 0.00 179.01 179.66 3m12 h THR 104 N 0.18 1.11 -0.60 0.32 2.02 -1.08 0.12 112.91 114.98 3m12 h THR 104 Ca 0.02 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 3m12 h THR 104 Cb 0.75 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 3m12 h THR 104 CO 0.06 0.11 0.25 0.24 0.37 0.00 0.00 175.52 176.54 3m12 h MET 105 N 0.25 0.89 -0.65 6.66 2.86 -1.05 -2.02 114.93 121.87 3m12 h MET 105 Ca 0.08 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 3m12 h MET 105 Cb 0.06 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 3m12 h MET 105 CO -0.01 0.75 0.16 0.93 1.06 0.00 0.00 176.91 179.79 3m12 h GLU 106 N 0.83 1.03 -0.75 1.72 4.39 -0.96 -2.24 114.58 118.59 3m12 h GLU 106 Ca 0.20 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 3m12 h GLU 106 Cb 0.18 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 3m12 h GLU 106 CO -0.02 0.93 0.25 0.00 -1.16 0.00 0.00 179.01 179.01 3m12 h ALA 107 N 1.06 0.98 -0.64 3.43 0.00 -0.62 -0.80 119.26 122.67 3m12 h ALA 107 Ca 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3m12 h ALA 107 Cb 0.36 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3m12 h ALA 107 CO 0.00 0.65 0.33 0.00 0.00 0.00 0.00 179.25 180.24 3m12 h ALA 108 N 1.13 0.82 0.22 0.00 0.00 -1.20 -1.93 119.26 118.30 3m12 h ALA 108 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3m12 h ALA 108 Cb 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3m12 h ALA 108 CO -0.01 0.36 -0.11 0.87 0.00 0.00 0.00 179.25 180.36 3m12 h LYS 109 N 0.88 -0.28 -0.98 0.00 1.57 -1.15 0.12 116.57 116.72 3m12 h LYS 109 Ca 0.22 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 3m12 h LYS 109 Cb 0.07 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 3m12 h LYS 109 CO -0.03 -0.11 0.65 1.49 -0.57 0.00 0.00 179.45 180.88 3m12 h GLU 110 N -0.41 1.25 -0.58 3.15 4.81 -1.01 -2.71 114.58 119.09 3m12 h GLU 110 Ca -0.03 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3m12 h GLU 110 Cb 0.31 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3m12 h GLU 110 CO 0.05 0.83 0.00 0.72 -0.73 0.00 0.00 179.01 179.88 3m12 n HIS 111 N -4.41 1.25 -3.94 0.92 8.25 -0.74 -4.97 115.22 111.58 3m12 n HIS 111 Ca 0.12 -0.61 -0.26 0.00 -0.26 0.00 0.00 57.72 56.71 3m12 n HIS 111 Cb 0.05 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 30.94 3m12 n HIS 111 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3m12 n SER 112 N 0.93 -0.77 -4.83 0.41 7.64 -0.85 -4.95 113.62 111.19 3m12 n SER 112 Ca 0.23 -1.02 -0.34 0.00 1.01 0.00 0.00 58.87 58.75 3m12 n SER 112 Cb 0.80 -3.03 -0.06 0.00 -1.01 0.00 0.00 64.21 60.91 3m12 n SER 112 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3m12 s LEU 113 N -6.94 4.21 -0.43 -3.43 1.43 -0.03 -5.01 118.68 108.48 3m12 s LEU 113 Ca 0.05 1.32 -0.29 0.00 -1.03 0.00 0.00 54.13 54.18 3m12 s LEU 113 Cb -0.02 -3.79 0.02 0.00 0.03 0.00 0.00 46.19 42.42 3m12 s LEU 113 CO 0.89 -0.07 1.33 -0.89 0.23 0.00 0.00 176.35 177.84 3m12 s THR 114 N -1.74 3.99 0.05 5.49 2.01 -1.26 -4.83 115.64 119.35 3m12 s THR 114 Ca 0.48 1.02 -0.00 0.00 0.31 0.00 0.00 61.69 63.49 3m12 s THR 114 Cb -0.13 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 3m12 s THR 114 CO 0.19 -0.82 -0.04 0.68 -0.69 0.00 0.00 174.62 173.94 3m12 s VAL 115 N 5.13 0.26 -0.13 3.82 -7.23 -1.26 -4.20 120.40 116.79 3m12 s VAL 115 Ca 0.57 -1.51 -0.04 0.00 -1.81 0.00 0.00 61.98 59.20 3m12 s VAL 115 Cb -0.12 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 3m12 s VAL 115 CO 0.32 -0.80 0.01 -1.81 -0.31 0.00 0.00 175.10 172.51 3m12 s ASP 116 N -2.41 5.20 -0.15 4.85 -0.00 0.20 -4.96 116.67 119.41 3m12 s ASP 116 Ca -0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 52.55 52.54 3m12 s ASP 116 Cb 0.01 -1.71 -0.03 0.00 -0.00 0.00 0.00 42.92 41.19 3m12 s ASP 116 CO -0.06 0.26 0.00 -0.76 -0.00 0.00 0.00 175.17 174.61 3m12 s LEU 117 N -0.16 3.49 0.17 1.23 1.43 -1.26 -0.26 118.68 123.31 3m12 s LEU 117 Ca 0.05 -0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.04 3m12 s LEU 117 Cb -0.13 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 3m12 s LEU 117 CO 0.02 0.20 0.29 -1.48 0.23 0.00 0.00 176.35 175.62 3m12 s LEU 118 N 0.17 0.92 0.04 1.79 2.34 -0.67 -5.02 118.68 118.25 3m12 s LEU 118 Ca 0.01 -0.88 -0.16 0.00 0.06 0.00 0.00 54.13 53.17 3m12 s LEU 118 Cb -0.13 1.21 0.03 0.00 -0.56 0.00 0.00 46.19 46.74 3m12 s LEU 118 CO 0.02 -0.90 0.35 -1.83 -1.06 0.00 0.00 176.35 172.92 3m12 s GLU 119 N -3.97 0.85 7.01 1.48 -1.05 -1.26 0.09 118.70 121.85 3m12 s GLU 119 Ca 0.18 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 3m12 s GLU 119 Cb 0.03 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 3m12 s GLU 119 CO 0.01 -0.28 0.00 0.41 0.95 0.00 0.00 175.26 176.34 3m12 n GLY 120 N 0.56 3.45 0.32 -3.83 0.00 0.48 -2.36 105.19 103.81 3m12 n GLY 120 Ca -0.19 -0.11 0.18 0.00 0.00 0.00 0.00 46.02 45.90 3m12 n GLY 120 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3m12 h ASP 121 N 0.89 0.00 -0.72 1.61 -0.00 -1.86 -1.81 116.42 114.54 3m12 h ASP 121 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.03 57.06 3m12 h ASP 121 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.29 3m12 h ASP 121 CO 0.00 0.00 0.48 -0.33 -0.00 0.00 0.00 179.24 179.39 3m12 h GLU 122 N 0.00 0.86 -0.03 0.28 5.08 -1.89 -0.29 114.58 118.59 3m12 h GLU 122 Ca 0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3m12 h GLU 122 Cb 0.10 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3m12 h GLU 122 CO -0.00 0.57 0.00 0.82 -1.00 0.00 0.00 179.01 179.40 3m12 h ILE 123 N 0.89 1.23 -0.30 3.13 2.04 -1.49 -1.95 117.51 121.06 3m12 h ILE 123 Ca 0.29 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 3m12 h ILE 123 Cb 0.04 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3m12 h ILE 123 CO -0.08 0.19 0.01 0.78 0.00 0.00 0.00 178.15 179.05 3m12 h ASN 124 N -0.22 0.41 -0.19 1.72 -0.26 -1.57 -1.99 115.58 113.47 3m12 h ASN 124 Ca 0.01 -0.07 -0.11 0.00 -0.56 0.00 0.00 56.30 55.58 3m12 h ASN 124 Cb 0.30 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.45 3m12 h ASN 124 CO 0.00 0.47 -0.30 0.11 -1.06 0.00 0.00 177.43 176.65 3m12 h LYS 125 N 0.44 0.54 -0.24 0.81 1.57 -0.98 -3.18 116.57 115.54 3m12 h LYS 125 Ca 0.10 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.46 3m12 h LYS 125 Cb 0.27 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3m12 h LYS 125 CO 0.01 0.93 -0.20 -0.09 -0.57 0.00 0.00 179.45 179.53 3m12 h ARG 126 N 0.21 0.55 -3.78 3.15 2.43 -1.24 -3.38 114.38 112.31 3m12 h ARG 126 Ca 0.02 -0.28 -0.66 0.00 -0.81 0.00 0.00 59.98 58.26 3m12 h ARG 126 Cb 0.88 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.04 3m12 h ARG 126 CO 0.07 0.86 -0.61 -1.58 -1.51 0.00 0.00 179.97 177.20 3m12 s TRP 127 N -4.41 3.38 0.36 2.20 0.51 -0.76 -5.08 118.94 115.14 3m12 s TRP 127 Ca -0.13 -3.03 -0.28 0.00 -2.12 0.00 0.00 56.10 50.53 3m12 s TRP 127 Cb 0.07 -2.92 -0.11 0.00 -0.81 0.00 0.00 33.47 29.70 3m12 s TRP 127 CO 0.79 -0.82 1.50 -2.14 -0.51 0.00 0.00 176.95 175.78 3m12 s PRO 128 N 0.10 4.11 0.00 4.98 0.02 -1.20 -2.16 135.00 140.86 3m12 s PRO 128 Ca 0.15 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.74 3m12 s PRO 128 Cb -0.23 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3m12 s PRO 128 CO -0.03 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 3m12 n GLY 129 N 0.75 2.64 3.57 0.52 0.00 -1.26 -4.76 105.19 106.66 3m12 n GLY 129 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3m12 n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m12 s ILE 130 N -2.46 4.40 -0.38 -0.61 1.01 -0.92 -4.23 121.20 118.01 3m12 s ILE 130 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.49 3m12 s ILE 130 Cb 0.00 -2.96 0.11 0.00 0.01 0.00 0.00 42.46 39.62 3m12 s ILE 130 CO 0.00 0.47 0.15 0.42 0.00 0.00 0.00 174.94 175.98 3m12 s THR 131 N 0.37 1.50 0.13 2.92 -4.23 0.37 -4.36 115.64 112.34 3m12 s THR 131 Ca -0.00 -2.14 0.05 0.00 -1.18 0.00 0.00 61.69 58.42 3m12 s THR 131 Cb -0.13 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 3m12 s THR 131 CO 0.01 -0.74 0.06 0.68 -0.54 0.00 0.00 174.62 174.09 3m12 s VAL 132 N 0.89 4.22 0.93 2.29 -7.23 -1.26 -4.28 120.40 115.96 3m12 s VAL 132 Ca 0.13 -1.05 -0.10 0.00 -1.81 0.00 0.00 61.98 59.14 3m12 s VAL 132 Cb -0.21 -3.08 0.16 0.00 0.56 0.00 0.00 36.38 33.81 3m12 s VAL 132 CO -0.11 0.01 1.13 -2.84 -0.31 0.00 0.00 175.10 172.97 3m12 s PRO 133 N -2.69 0.86 0.53 4.82 0.02 -1.26 -4.84 135.00 132.44 3m12 s PRO 133 Ca 0.28 1.44 0.31 0.00 0.02 0.00 0.00 61.00 63.05 3m12 s PRO 133 Cb -0.11 -1.72 1.36 0.00 0.02 0.00 0.00 34.50 34.05 3m12 s PRO 133 CO 0.21 -2.70 1.99 0.93 -0.33 0.00 0.00 177.00 177.10 3m12 h GLU 134 N -1.92 0.00 -0.53 5.54 5.08 -1.99 -2.62 114.58 118.14 3m12 h GLU 134 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3m12 h GLU 134 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3m12 h GLU 134 CO 0.43 0.09 0.00 0.27 -1.00 0.00 0.00 179.01 178.80 3m12 n ASN 135 N -3.28 1.90 -4.88 1.42 0.23 -1.26 -3.78 115.26 105.61 3m12 n ASN 135 Ca -0.00 -2.14 -0.34 0.00 -0.53 0.00 0.00 54.58 51.57 3m12 n ASN 135 Cb 0.30 -0.35 -0.05 0.00 -2.08 0.00 0.00 39.78 37.60 3m12 n ASN 135 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 3m12 s TYR 136 N -1.63 3.55 0.43 -2.53 1.51 -0.99 -0.41 117.35 117.29 3m12 s TYR 136 Ca 0.17 0.69 0.05 0.00 -1.01 0.00 0.00 57.07 56.97 3m12 s TYR 136 Cb 0.11 -2.09 -0.06 0.00 -0.11 0.00 0.00 41.96 39.81 3m12 s TYR 136 CO 0.08 0.51 0.02 0.54 -1.11 0.00 0.00 175.55 175.59 3m12 s ASN 137 N -1.93 3.78 0.01 2.29 2.20 -0.45 -0.38 114.94 120.47 3m12 s ASN 137 Ca 0.34 -1.46 -0.20 0.00 -0.94 0.00 0.00 52.86 50.60 3m12 s ASN 137 Cb -0.13 -0.08 0.04 0.00 -2.00 0.00 0.00 41.25 39.08 3m12 s ASN 137 CO 0.19 -0.59 0.45 0.00 -2.94 0.00 0.00 177.10 174.21 3m12 s ALA 138 N -2.82 -1.15 -0.07 3.54 0.00 0.11 -2.13 121.76 119.24 3m12 s ALA 138 Ca 0.26 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.81 3m12 s ALA 138 Cb 0.07 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.42 3m12 s ALA 138 CO 0.13 -0.40 -0.16 -1.50 0.00 0.00 0.00 175.76 173.84 3m12 s ILE 139 N -1.93 1.41 -0.12 0.00 2.07 0.05 -1.67 121.20 121.00 3m12 s ILE 139 Ca -0.09 -0.65 0.00 0.00 -1.41 0.00 0.00 60.65 58.51 3m12 s ILE 139 Cb -0.02 -1.25 -0.02 0.00 0.13 0.00 0.00 42.46 41.30 3m12 s ILE 139 CO 0.02 0.42 -0.14 0.12 -1.91 0.00 0.00 174.94 173.45 3m12 s PHE 140 N 0.52 2.79 -0.42 3.50 5.36 0.64 -1.12 117.98 129.25 3m12 s PHE 140 Ca -0.15 -0.62 -0.06 0.00 -0.96 0.00 0.00 56.93 55.14 3m12 s PHE 140 Cb -0.16 -1.82 0.10 0.00 -0.34 0.00 0.00 43.02 40.80 3m12 s PHE 140 CO 0.05 -0.19 0.24 -2.00 -1.46 0.00 0.00 175.22 171.86 3m12 s GLU 141 N 0.27 2.26 0.45 10.12 2.12 -0.32 -0.63 118.70 132.97 3m12 s GLU 141 Ca -0.10 -1.72 0.21 0.00 0.36 0.00 0.00 54.97 53.73 3m12 s GLU 141 Cb -0.16 -3.69 1.09 0.00 0.26 0.00 0.00 34.13 31.63 3m12 s GLU 141 CO 0.05 -1.06 1.94 -1.00 -0.54 0.00 0.00 175.26 174.65 3m12 h PRO 142 N 8.22 0.00 -0.00 4.30 0.13 -1.86 -1.30 132.00 141.49 3m12 h PRO 142 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3m12 h PRO 142 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3m12 h PRO 142 CO 0.75 0.23 -0.32 0.09 -0.23 0.00 0.00 178.00 178.51 3m12 n ASN 143 N -3.77 0.52 -4.28 1.44 5.03 -1.26 -3.76 115.26 109.18 3m12 n ASN 143 Ca -0.01 -0.30 -0.29 0.00 0.87 0.00 0.00 54.58 54.85 3m12 n ASN 143 Cb 0.33 0.07 0.17 0.00 -1.02 0.00 0.00 39.78 39.33 3m12 n ASN 143 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3m12 s SER 144 N -2.83 3.43 0.00 6.41 0.01 -1.16 -4.89 113.70 114.67 3m12 s SER 144 Ca 0.16 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.60 3m12 s SER 144 Cb 0.18 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.11 3m12 s SER 144 CO 0.61 -2.52 0.00 0.61 0.41 0.00 0.00 173.24 172.35 3m12 n GLY 145 N -3.56 -0.91 3.02 3.44 0.00 -0.83 -1.04 105.19 105.31 3m12 n GLY 145 Ca 0.15 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 3m12 n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m12 s VAL 146 N -4.00 1.15 -0.08 1.61 1.01 -0.23 -0.92 120.40 118.94 3m12 s VAL 146 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 3m12 s VAL 146 Cb 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3m12 s VAL 146 CO 0.00 0.36 0.12 -0.76 0.00 0.00 0.00 175.10 174.82 3m12 s LEU 147 N 0.75 4.18 -0.77 3.92 1.43 0.85 -1.14 118.68 127.90 3m12 s LEU 147 Ca -0.13 0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 53.14 3m12 s LEU 147 Cb -0.16 -2.16 0.14 0.00 0.03 0.00 0.00 46.19 44.05 3m12 s LEU 147 CO 0.03 0.36 0.86 -0.36 0.23 0.00 0.00 176.35 177.47 3m12 s PHE 148 N -1.09 3.25 0.18 0.29 0.08 -0.40 -0.73 117.98 119.55 3m12 s PHE 148 Ca 0.18 -1.38 -0.09 0.00 0.12 0.00 0.00 56.93 55.76 3m12 s PHE 148 Cb -0.12 -4.05 0.05 0.00 -0.57 0.00 0.00 43.02 38.33 3m12 s PHE 148 CO 0.08 -1.28 1.61 0.66 -0.10 0.00 0.00 175.22 176.19 3m12 h SER 149 N 8.68 1.03 -0.73 1.36 4.64 -1.47 -0.81 113.55 126.26 3m12 h SER 149 Ca -0.04 -0.34 -0.06 0.00 -0.47 0.00 0.00 61.79 60.88 3m12 h SER 149 Cb 1.05 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 3m12 h SER 149 CO 1.01 1.14 0.20 -0.33 -0.87 0.00 0.00 176.83 177.98 3m12 h GLU 150 N 0.92 1.15 -0.83 4.77 5.08 -1.73 -2.33 114.58 121.62 3m12 h GLU 150 Ca 0.14 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3m12 h GLU 150 Cb 0.67 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 3m12 h GLU 150 CO 0.05 0.99 0.43 -0.91 -1.00 0.00 0.00 179.01 178.57 3m12 h ASN 151 N 1.09 1.05 0.01 1.42 2.35 -1.68 -0.82 115.58 119.00 3m12 h ASN 151 Ca 0.23 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3m12 h ASN 151 Cb 0.34 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3m12 h ASN 151 CO -0.00 0.86 -0.04 0.00 -1.65 0.00 0.00 177.43 176.59 3m12 h ILE 153 N -0.08 1.21 -0.31 0.00 2.04 -1.24 -0.45 117.51 118.67 3m12 h ILE 153 Ca 0.02 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.23 3m12 h ILE 153 Cb 0.10 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3m12 h ILE 153 CO -0.04 0.24 0.15 -0.09 0.00 0.00 0.00 178.15 178.40 3m12 h ARG 154 N 0.49 0.30 -0.31 2.37 2.43 -1.02 0.01 114.38 118.65 3m12 h ARG 154 Ca 0.13 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3m12 h ARG 154 Cb 0.23 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3m12 h ARG 154 CO -0.01 0.20 0.15 0.00 -1.51 0.00 0.00 179.97 178.80 3m12 h ALA 155 N 1.17 0.40 -0.93 2.80 0.00 -0.64 -0.56 119.26 121.51 3m12 h ALA 155 Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3m12 h ALA 155 Cb 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3m12 h ALA 155 CO -0.10 -0.04 0.56 1.88 0.00 0.00 0.00 179.25 181.55 3m12 h TYR 156 N 0.37 1.22 -0.06 0.00 0.05 -0.88 -1.28 116.97 116.39 3m12 h TYR 156 Ca 0.11 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 3m12 h TYR 156 Cb 0.12 -0.40 -0.00 0.00 1.01 0.00 0.00 36.73 37.46 3m12 h TYR 156 CO -0.02 0.81 0.02 -0.09 -1.05 0.00 0.00 178.16 177.84 3m12 h ARG 157 N 1.28 0.09 -0.65 4.88 2.43 -0.69 -0.44 114.38 121.28 3m12 h ARG 157 Ca 0.33 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.51 3m12 h ARG 157 Cb -0.05 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 3m12 h ARG 157 CO -0.06 0.24 0.40 0.93 -1.51 0.00 0.00 179.97 179.97 3m12 h GLU 158 N -0.07 0.76 -0.30 0.20 5.08 -0.83 0.25 114.58 119.67 3m12 h GLU 158 Ca 0.02 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3m12 h GLU 158 Cb 0.18 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3m12 h GLU 158 CO -0.00 0.50 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.37 3m12 h LEU 159 N 0.78 0.58 -0.21 1.33 3.38 -1.18 -1.77 115.31 118.23 3m12 h LEU 159 Ca 0.26 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3m12 h LEU 159 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3m12 h LEU 159 CO -0.11 0.81 0.13 0.00 0.09 0.00 0.00 178.44 179.36 3m12 h ALA 160 N 0.79 0.27 -0.59 1.53 0.00 -0.75 -2.41 119.26 118.10 3m12 h ALA 160 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3m12 h ALA 160 Cb 0.56 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3m12 h ALA 160 CO 0.03 -0.23 0.22 0.93 0.00 0.00 0.00 179.25 180.20 3m12 h GLU 161 N 0.26 0.87 -0.33 0.00 5.08 -0.95 -1.39 114.58 118.12 3m12 h GLU 161 Ca 0.08 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3m12 h GLU 161 Cb 0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3m12 h GLU 161 CO -0.01 0.72 0.19 0.00 -1.00 0.00 0.00 179.01 178.90 3m12 h ALA 162 N 1.39 1.70 -0.00 3.43 0.00 -1.11 -1.53 119.26 123.14 3m12 h ALA 162 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3m12 h ALA 162 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3m12 h ALA 162 CO -0.02 0.26 -0.04 0.54 0.00 0.00 0.00 179.25 179.99 3m12 n ARG 163 N -4.45 0.97 0.00 0.00 5.12 -0.71 -4.91 116.66 112.67 3m12 n ARG 163 Ca 0.02 -0.28 0.00 0.00 -1.93 0.00 0.00 57.85 55.66 3m12 n ARG 163 Cb 0.09 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 3m12 n ARG 163 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3m12 n GLY 164 N 1.16 0.94 3.77 -0.13 0.00 -0.57 -4.93 105.19 105.42 3m12 n GLY 164 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3m12 n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m12 s ALA 165 N -2.00 3.35 -0.22 4.61 0.00 -0.61 -4.72 121.76 122.17 3m12 s ALA 165 Ca 0.00 1.28 -0.08 0.00 0.00 0.00 0.00 51.96 53.16 3m12 s ALA 165 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3m12 s ALA 165 CO 0.00 -0.81 0.09 0.15 0.00 0.00 0.00 175.76 175.19 3m12 s LYS 166 N -2.12 3.92 -0.21 0.00 -0.14 -0.42 -4.32 119.74 116.45 3m12 s LYS 166 Ca 0.55 -0.36 -0.03 0.00 -1.36 0.00 0.00 55.97 54.77 3m12 s LYS 166 Cb -0.39 -3.34 -0.01 0.00 -1.68 0.00 0.00 37.83 32.41 3m12 s LYS 166 CO 0.51 0.09 -0.05 0.08 -0.76 0.00 0.00 175.35 175.22 3m12 s VAL 167 N 0.90 3.32 -0.31 3.17 1.01 -1.26 -0.24 120.40 126.99 3m12 s VAL 167 Ca 0.05 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 3m12 s VAL 167 Cb -0.14 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.76 3m12 s VAL 167 CO 0.03 0.44 0.10 -0.22 0.00 0.00 0.00 175.10 175.45 3m12 s LEU 168 N 1.35 4.03 0.32 3.92 2.96 0.75 -4.98 118.68 127.02 3m12 s LEU 168 Ca 0.04 -0.79 0.05 0.00 -0.22 0.00 0.00 54.13 53.22 3m12 s LEU 168 Cb -0.14 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 3m12 s LEU 168 CO -0.03 -0.23 0.46 0.42 -1.32 0.00 0.00 176.35 175.65 3m12 s THR 169 N 1.50 4.41 -1.60 3.68 -4.23 -1.26 -0.82 115.64 117.32 3m12 s THR 169 Ca 0.02 -0.94 -0.16 0.00 -1.18 0.00 0.00 61.69 59.44 3m12 s THR 169 Cb -0.18 -3.55 0.12 0.00 1.34 0.00 0.00 72.50 70.23 3m12 s THR 169 CO 0.03 -0.23 0.89 1.41 -0.54 0.00 0.00 174.62 176.18 3m12 n HIS 170 N -1.62 -2.05 -3.80 3.99 8.25 -0.51 -4.89 115.22 114.59 3m12 n HIS 170 Ca -0.02 0.85 -0.30 0.00 -0.26 0.00 0.00 57.72 57.98 3m12 n HIS 170 Cb 0.58 -3.50 -0.15 0.00 1.12 0.00 0.00 29.99 28.04 3m12 n HIS 170 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3m12 s THR 171 N -3.27 1.11 -0.30 1.59 2.01 0.10 -4.91 115.64 111.97 3m12 s THR 171 Ca 0.70 -1.43 -0.20 0.00 0.31 0.00 0.00 61.69 61.07 3m12 s THR 171 Cb -0.36 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 3m12 s THR 171 CO 0.86 -0.55 0.64 -0.60 -0.69 0.00 0.00 174.62 174.27 3m12 s ARG 172 N 1.52 3.94 0.08 4.92 3.52 -1.26 -3.20 118.95 128.46 3m12 s ARG 172 Ca 0.07 0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.72 3m12 s ARG 172 Cb -0.18 -3.71 -0.06 0.00 -1.56 0.00 0.00 34.95 29.44 3m12 s ARG 172 CO -0.19 -0.55 1.15 0.08 -0.81 0.00 0.00 175.30 174.98 3m12 s VAL 173 N 2.61 4.10 -0.04 7.11 1.01 -1.26 -4.92 120.40 129.01 3m12 s VAL 173 Ca 0.26 1.56 0.09 0.00 0.00 0.00 0.00 61.98 63.89 3m12 s VAL 173 Cb -0.15 -4.00 -0.14 0.00 0.00 0.00 0.00 36.38 32.09 3m12 s VAL 173 CO 0.11 0.15 0.15 -0.62 0.00 0.00 0.00 175.10 174.90 3m12 n GLU 174 N 3.59 1.05 -3.59 2.72 1.02 -1.26 -5.06 120.64 119.11 3m12 n GLU 174 Ca 0.07 -0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 57.05 3m12 n GLU 174 Cb 0.47 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 30.63 3m12 n GLU 174 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3m12 s ASP 175 N -3.45 -0.41 0.03 1.62 3.68 -1.26 -5.00 116.67 111.88 3m12 s ASP 175 Ca -0.04 -0.25 0.05 0.00 2.13 0.00 0.00 52.55 54.44 3m12 s ASP 175 Cb 0.05 0.60 -0.02 0.00 -1.45 0.00 0.00 42.92 42.10 3m12 s ASP 175 CO 0.39 -1.03 -0.14 -0.36 0.13 0.00 0.00 175.17 174.16 3m12 s PHE 176 N -3.81 1.19 -0.27 -5.34 0.08 -1.26 -3.72 117.98 104.85 3m12 s PHE 176 Ca 0.05 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.76 3m12 s PHE 176 Cb -0.01 -0.71 0.08 0.00 -0.57 0.00 0.00 43.02 41.80 3m12 s PHE 176 CO -0.07 0.03 0.02 0.34 -0.10 0.00 0.00 175.22 175.43 3m12 s ASP 177 N -1.06 3.90 -0.15 1.36 3.68 0.25 -4.95 116.67 119.70 3m12 s ASP 177 Ca 0.01 -1.41 -0.05 0.00 2.13 0.00 0.00 52.55 53.23 3m12 s ASP 177 Cb -0.08 -1.06 -0.04 0.00 -1.45 0.00 0.00 42.92 40.30 3m12 s ASP 177 CO 0.01 -0.32 0.02 -0.63 0.13 0.00 0.00 175.17 174.38 3m12 s ILE 178 N 1.46 4.47 0.35 4.11 -1.09 -1.26 -1.20 121.20 128.05 3m12 s ILE 178 Ca 0.02 -0.16 0.08 0.00 -2.23 0.00 0.00 60.65 58.36 3m12 s ILE 178 Cb -0.18 -2.97 -0.07 0.00 -1.58 0.00 0.00 42.46 37.67 3m12 s ILE 178 CO -0.13 0.51 -0.05 -0.44 -1.23 0.00 0.00 174.94 173.61 3m12 s SER 179 N -0.01 3.55 0.54 3.58 0.01 0.11 -5.03 113.70 116.44 3m12 s SER 179 Ca 0.04 -1.26 0.24 0.00 1.31 0.00 0.00 55.95 56.28 3m12 s SER 179 Cb -0.13 -0.32 1.40 0.00 0.21 0.00 0.00 66.02 67.18 3m12 s SER 179 CO 0.02 -0.32 2.04 -0.65 0.41 0.00 0.00 173.24 174.73 3m12 h PRO 180 N 1.99 0.00 0.00 12.44 0.11 -1.99 -3.16 132.00 141.39 3m12 h PRO 180 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3m12 h PRO 180 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3m12 h PRO 180 CO 0.73 0.00 -0.08 -0.40 -0.21 0.00 0.00 178.00 178.05 3m12 n ASP 181 N -4.33 1.43 -3.51 -2.05 5.68 -1.26 -4.89 116.55 107.61 3m12 n ASP 181 Ca 0.06 -2.13 -0.13 0.00 -0.50 0.00 0.00 54.79 52.09 3m12 n ASP 181 Cb 0.47 -0.16 -0.04 0.00 -1.14 0.00 0.00 41.12 40.25 3m12 n ASP 181 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3m12 s SER 182 N -1.37 -0.52 0.12 -1.12 1.04 -1.19 -4.78 113.70 105.88 3m12 s SER 182 Ca 0.09 0.38 0.09 0.00 0.48 0.00 0.00 55.95 57.00 3m12 s SER 182 Cb 0.08 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 3m12 s SER 182 CO 0.01 -0.60 -0.23 0.68 0.98 0.00 0.00 173.24 174.08 3m12 s VAL 183 N -1.95 1.93 -0.07 5.02 -7.23 -0.04 -0.72 120.40 117.34 3m12 s VAL 183 Ca -0.04 -1.68 -0.04 0.00 -1.81 0.00 0.00 61.98 58.41 3m12 s VAL 183 Cb -0.00 -1.76 0.03 0.00 0.56 0.00 0.00 36.38 35.21 3m12 s VAL 183 CO 0.00 -0.05 0.16 -0.75 -0.31 0.00 0.00 175.10 174.16 3m12 s LYS 184 N -2.10 0.15 0.20 4.82 2.20 -0.34 -1.74 119.74 122.93 3m12 s LYS 184 Ca 0.11 0.32 0.11 0.00 -0.36 0.00 0.00 55.97 56.15 3m12 s LYS 184 Cb -0.09 -0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.13 3m12 s LYS 184 CO 0.05 -0.10 -0.24 0.96 -0.36 0.00 0.00 175.35 175.67 3m12 s ILE 185 N 0.69 2.36 -0.19 5.43 -4.36 -0.64 -0.59 121.20 123.90 3m12 s ILE 185 Ca -0.05 -2.07 -0.01 0.00 -0.26 0.00 0.00 60.65 58.26 3m12 s ILE 185 Cb -0.07 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.51 3m12 s ILE 185 CO -0.03 -0.15 -0.13 -1.61 0.24 0.00 0.00 174.94 173.26 3m12 s GLU 186 N -2.76 3.19 0.23 0.37 0.41 -1.24 -2.61 118.70 116.28 3m12 s GLU 186 Ca 0.22 -0.73 0.05 0.00 -0.41 0.00 0.00 54.97 54.10 3m12 s GLU 186 Cb -0.08 -2.76 -0.05 0.00 -1.78 0.00 0.00 34.13 29.46 3m12 s GLU 186 CO 0.10 -0.16 -0.06 0.95 -0.49 0.00 0.00 175.26 175.60 3m12 s THR 187 N 1.28 1.38 0.17 3.63 -4.23 -1.10 -4.22 115.64 112.54 3m12 s THR 187 Ca 0.03 -2.10 -0.15 0.00 -1.18 0.00 0.00 61.69 58.30 3m12 s THR 187 Cb -0.14 -2.25 0.04 0.00 1.34 0.00 0.00 72.50 71.49 3m12 s THR 187 CO -0.07 -0.43 1.82 0.00 -0.54 0.00 0.00 174.62 175.41 3m12 h ALA 188 N 2.47 0.59 -0.10 3.99 0.00 -2.00 -3.20 119.26 121.02 3m12 h ALA 188 Ca -0.39 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 3m12 h ALA 188 Cb 1.22 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.86 3m12 h ALA 188 CO 0.65 0.00 -0.63 -0.91 0.00 0.00 0.00 179.25 178.36 3m12 h ASN 189 N 0.60 0.72 -4.96 0.00 -0.26 -2.02 -3.48 115.58 106.18 3m12 h ASN 189 Ca 0.18 -0.66 0.11 0.00 -0.56 0.00 0.00 56.30 55.37 3m12 h ASN 189 Cb -0.03 -0.22 -0.11 0.00 -1.06 0.00 0.00 38.32 36.90 3m12 h ASN 189 CO -0.06 1.27 0.42 -0.83 -1.06 0.00 0.00 177.43 177.17 3m12 s GLY 190 N -4.02 -0.38 0.08 2.83 0.00 -1.21 -5.16 107.32 99.47 3m12 s GLY 190 Ca -0.12 0.50 -0.12 0.00 0.00 0.00 0.00 44.72 44.98 3m12 s GLY 190 CO 0.86 0.15 0.44 -0.56 0.00 0.00 0.00 173.10 173.99 3m12 s SER 191 N -2.72 6.72 -0.05 1.64 0.01 -1.26 -2.72 113.70 115.32 3m12 s SER 191 Ca 0.07 0.90 0.03 0.00 1.31 0.00 0.00 55.95 58.26 3m12 s SER 191 Cb -0.02 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 64.00 3m12 s SER 191 CO -0.04 0.19 -0.12 -0.31 0.41 0.00 0.00 173.24 173.37 3m12 s TYR 192 N -1.35 1.28 0.27 2.43 2.02 -1.07 0.07 117.35 120.99 3m12 s TYR 192 Ca 0.32 -0.40 0.12 0.00 -0.37 0.00 0.00 57.07 56.74 3m12 s TYR 192 Cb -0.15 -0.92 -0.05 0.00 -0.40 0.00 0.00 41.96 40.44 3m12 s TYR 192 CO 0.17 -0.19 -0.18 0.95 -1.57 0.00 0.00 175.55 174.74 3m12 s THR 193 N 0.40 2.58 0.32 -0.71 -4.23 -1.10 -1.61 115.64 111.29 3m12 s THR 193 Ca -0.08 -2.30 -0.19 0.00 -1.18 0.00 0.00 61.69 57.94 3m12 s THR 193 Cb -0.12 -2.34 0.04 0.00 1.34 0.00 0.00 72.50 71.41 3m12 s THR 193 CO 0.02 -0.36 0.76 0.00 -0.54 0.00 0.00 174.62 174.50 3m12 s ALA 194 N -2.38 -1.02 0.07 3.99 0.00 -0.71 -0.94 121.76 120.78 3m12 s ALA 194 Ca 0.29 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.76 3m12 s ALA 194 Cb -0.06 0.77 -0.25 0.00 0.00 0.00 0.00 23.12 23.58 3m12 s ALA 194 CO 0.15 -1.02 1.12 -0.44 0.00 0.00 0.00 175.76 175.57 3m12 h ASP 195 N 2.00 0.23 -4.73 0.00 3.45 -1.43 -0.07 116.42 115.87 3m12 h ASP 195 Ca -0.25 -0.27 -0.27 0.00 0.43 0.00 0.00 57.03 56.68 3m12 h ASP 195 Cb 1.25 -0.07 -0.22 0.00 -0.56 0.00 0.00 39.33 39.73 3m12 h ASP 195 CO 0.31 1.21 -0.73 -0.54 -1.57 0.00 0.00 179.24 177.92 3m12 s LYS 196 N -2.67 0.50 -0.05 3.56 -0.14 -1.01 -4.46 119.74 115.47 3m12 s LYS 196 Ca -0.03 -0.71 0.04 0.00 -1.36 0.00 0.00 55.97 53.91 3m12 s LYS 196 Cb 0.08 -0.26 0.00 0.00 -1.68 0.00 0.00 37.83 35.97 3m12 s LYS 196 CO 0.85 0.04 -0.15 -1.17 -0.76 0.00 0.00 175.35 174.16 3m12 s LEU 197 N -1.48 1.84 -0.16 3.17 2.96 -0.09 -1.65 118.68 123.27 3m12 s LEU 197 Ca -0.10 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 3m12 s LEU 197 Cb -0.10 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.67 3m12 s LEU 197 CO 0.00 0.11 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.43 3m12 s ILE 198 N 0.24 3.30 -0.25 6.68 1.01 0.01 -0.05 121.20 132.14 3m12 s ILE 198 Ca -0.07 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 3m12 s ILE 198 Cb -0.13 -2.43 0.01 0.00 0.01 0.00 0.00 42.46 39.93 3m12 s ILE 198 CO 0.03 0.49 -0.03 -0.69 0.00 0.00 0.00 174.94 174.74 3m12 s VAL 199 N 0.70 3.21 -0.43 2.92 1.01 0.60 -0.72 120.40 127.69 3m12 s VAL 199 Ca -0.04 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.18 3m12 s VAL 199 Cb -0.15 -2.59 0.27 0.00 0.00 0.00 0.00 36.38 33.90 3m12 s VAL 199 CO 0.02 0.23 0.71 -1.54 0.00 0.00 0.00 175.10 174.52 3m12 n SER 200 N 4.74 -0.94 -1.27 3.32 3.41 -0.12 -0.94 113.62 121.82 3m12 n SER 200 Ca -0.16 -3.01 0.08 0.00 -0.26 0.00 0.00 58.87 55.52 3m12 n SER 200 Cb 0.48 0.37 0.29 0.00 -0.26 0.00 0.00 64.21 65.09 3m12 n SER 200 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3m12 n MET 201 N 1.26 2.93 0.00 4.33 2.81 -1.25 -4.27 117.12 122.92 3m12 n MET 201 Ca 0.16 -2.29 0.00 0.00 -1.81 0.00 0.00 57.70 53.77 3m12 n MET 201 Cb 0.59 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 3m12 n MET 201 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m12 n GLY 202 N 1.18 3.45 0.28 3.03 0.00 -1.26 -1.76 105.19 110.10 3m12 n GLY 202 Ca 0.21 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3m12 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m12 h ALA 203 N -0.79 1.71 0.00 4.61 0.00 -1.93 -1.31 119.26 121.56 3m12 h ALA 203 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m12 h ALA 203 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3m12 h ALA 203 CO 0.00 0.01 0.00 0.91 0.00 0.00 0.00 179.25 180.17 3m12 n TRP 204 N -4.13 0.20 -0.03 0.00 8.01 -0.72 -2.70 117.44 118.07 3m12 n TRP 204 Ca -0.03 0.07 0.12 0.00 -1.31 0.00 0.00 57.50 56.34 3m12 n TRP 204 Cb 0.09 -0.61 0.53 0.00 -2.01 0.00 0.00 31.31 29.31 3m12 n TRP 204 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 3m12 h ASN 205 N 0.00 0.30 0.28 -0.99 -0.26 -1.30 -1.62 115.58 111.98 3m12 h ASN 205 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 3m12 h ASN 205 Cb 0.42 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.62 3m12 h ASN 205 CO 0.00 0.19 -0.04 0.77 -1.06 0.00 0.00 177.43 177.28 3m12 h SER 206 N 0.34 0.00 0.00 5.81 4.64 -1.71 -2.70 113.55 119.93 3m12 h SER 206 Ca 0.23 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.39 3m12 h SER 206 Cb 0.47 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 3m12 h SER 206 CO -0.05 0.04 -1.75 0.29 -0.87 0.00 0.00 176.83 174.49 3m12 n LYS 207 N -3.43 1.73 -0.00 4.77 5.02 -0.78 -4.78 118.16 120.68 3m12 n LYS 207 Ca -0.02 -0.03 0.05 0.00 -2.02 0.00 0.00 58.31 56.29 3m12 n LYS 207 Cb 0.17 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 3m12 n LYS 207 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3m12 n LEU 208 N -2.32 0.41 0.29 -0.35 7.99 -0.68 -4.42 117.00 117.93 3m12 n LEU 208 Ca -0.15 -0.45 0.18 0.00 -0.01 0.00 0.00 56.01 55.58 3m12 n LEU 208 Cb 0.76 0.00 0.86 0.00 -0.11 0.00 0.00 43.42 44.92 3m12 n LEU 208 CO 0.25 0.10 1.05 -0.07 -1.51 0.00 0.00 177.39 177.21 3m12 h LEU 209 N 0.00 0.00 -2.35 2.23 3.38 -1.70 -1.77 115.31 115.10 3m12 h LEU 209 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m12 h LEU 209 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3m12 h LEU 209 CO 0.00 0.02 0.01 0.77 0.09 0.00 0.00 178.44 179.33 3m12 h SER 210 N 0.00 0.00 0.56 -0.43 4.64 -1.77 -0.18 113.55 116.37 3m12 h SER 210 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m12 h SER 210 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3m12 h SER 210 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3m12 n LYS 211 N -4.02 0.12 -0.44 4.77 4.76 -0.66 -1.63 118.16 121.06 3m12 n LYS 211 Ca -0.03 0.13 0.08 0.00 -2.87 0.00 0.00 58.31 55.63 3m12 n LYS 211 Cb 0.09 -1.50 0.26 0.00 -1.84 0.00 0.00 35.03 32.04 3m12 n LYS 211 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3m12 n LEU 212 N -1.41 3.87 -1.79 -0.35 4.77 -0.11 -4.36 117.00 117.60 3m12 n LEU 212 Ca 0.07 -2.89 -0.16 0.00 -0.03 0.00 0.00 56.01 53.00 3m12 n LEU 212 Cb 0.20 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 3m12 n LEU 212 CO 0.17 0.68 -0.20 -3.20 -1.33 0.00 0.00 177.39 173.51 3m12 n ASN 213 N -0.32 -4.81 -4.58 -1.43 4.05 -0.64 -4.97 115.26 102.56 3m12 n ASN 213 Ca 0.20 0.01 -0.34 0.00 0.45 0.00 0.00 54.58 54.91 3m12 n ASN 213 Cb 0.85 -3.91 -0.11 0.00 1.23 0.00 0.00 39.78 37.84 3m12 n ASN 213 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3m12 s LEU 214 N -4.56 3.30 -0.49 1.20 1.43 -1.02 -0.66 118.68 117.87 3m12 s LEU 214 Ca 0.00 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 3m12 s LEU 214 Cb 0.00 -1.75 0.13 0.00 0.03 0.00 0.00 46.19 44.60 3m12 s LEU 214 CO 0.00 0.31 0.23 -0.62 0.23 0.00 0.00 176.35 176.50 3m12 s ASP 215 N -0.47 4.43 -0.13 2.29 3.68 -0.05 -3.44 116.67 122.98 3m12 s ASP 215 Ca 0.07 -2.87 0.00 0.00 2.13 0.00 0.00 52.55 51.89 3m12 s ASP 215 Cb -0.12 -1.65 0.02 0.00 -1.45 0.00 0.00 42.92 39.72 3m12 s ASP 215 CO 0.02 -0.26 -0.11 -0.63 0.13 0.00 0.00 175.17 174.32 3m12 s ILE 216 N -0.09 1.30 -0.10 4.11 1.01 -1.26 -2.00 121.20 124.17 3m12 s ILE 216 Ca 0.16 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 3m12 s ILE 216 Cb -0.25 -1.26 -0.07 0.00 0.01 0.00 0.00 42.46 40.90 3m12 s ILE 216 CO -0.01 0.41 2.06 -2.84 0.00 0.00 0.00 174.94 174.56 3m12 s PRO 217 N 1.57 3.65 -0.05 2.79 0.02 -1.26 -4.95 135.00 136.77 3m12 s PRO 217 Ca 0.05 2.28 -0.01 0.00 0.02 0.00 0.00 61.00 63.34 3m12 s PRO 217 Cb -0.13 -4.25 0.03 0.00 0.02 0.00 0.00 34.50 30.17 3m12 s PRO 217 CO -0.09 -1.51 0.00 -0.51 -0.33 0.00 0.00 177.00 174.56 3m12 s LEU 218 N 6.29 0.80 -0.26 -5.54 1.43 -1.26 -4.39 118.68 115.76 3m12 s LEU 218 Ca 0.93 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.97 3m12 s LEU 218 Cb -0.37 -0.32 0.03 0.00 0.03 0.00 0.00 46.19 45.56 3m12 s LEU 218 CO 0.38 -0.15 -0.06 -1.58 0.23 0.00 0.00 176.35 175.17 3m12 s GLN 219 N 1.55 2.71 0.29 1.70 2.00 -0.63 -4.80 119.66 122.47 3m12 s GLN 219 Ca -0.02 -1.06 -0.29 0.00 -2.00 0.00 0.00 55.36 51.99 3m12 s GLN 219 Cb -0.13 -3.01 -0.09 0.00 0.80 0.00 0.00 33.01 30.58 3m12 s GLN 219 CO -0.03 -0.45 1.07 -2.14 -0.50 0.00 0.00 175.29 173.24 3m12 s PRO 220 N 1.29 4.61 -0.02 1.67 0.02 -1.26 -1.07 135.00 140.24 3m12 s PRO 220 Ca -0.02 1.72 0.05 0.00 0.02 0.00 0.00 61.00 62.78 3m12 s PRO 220 Cb -0.17 -3.12 -0.01 0.00 0.02 0.00 0.00 34.50 31.22 3m12 s PRO 220 CO -0.04 0.21 -0.17 0.71 -0.33 0.00 0.00 177.00 177.38 3m12 s TYR 221 N -1.23 1.54 -0.20 6.54 2.02 0.27 -1.79 117.35 124.50 3m12 s TYR 221 Ca 0.46 -0.31 -0.29 0.00 -0.37 0.00 0.00 57.07 56.55 3m12 s TYR 221 Cb -0.30 -1.00 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 3m12 s TYR 221 CO 0.38 -0.05 1.07 0.50 -1.57 0.00 0.00 175.55 175.88 3m12 s ARG 222 N -0.32 4.28 -0.19 -0.62 3.52 0.79 -1.46 118.95 124.95 3m12 s ARG 222 Ca 0.05 1.41 -0.01 0.00 -0.13 0.00 0.00 55.73 57.05 3m12 s ARG 222 Cb -0.07 -3.64 0.05 0.00 -1.56 0.00 0.00 34.95 29.73 3m12 s ARG 222 CO -0.00 -0.59 -0.02 -0.65 -0.81 0.00 0.00 175.30 173.22 3m12 s GLN 223 N 3.06 1.20 0.23 5.12 -1.52 0.10 -2.79 119.66 125.06 3m12 s GLN 223 Ca 0.46 -0.57 -0.02 0.00 -1.95 0.00 0.00 55.36 53.28 3m12 s GLN 223 Cb -0.17 -2.12 -0.05 0.00 -0.22 0.00 0.00 33.01 30.45 3m12 s GLN 223 CO 0.09 -0.53 0.45 0.14 -0.25 0.00 0.00 175.29 175.19 3m12 s VAL 224 N 1.66 5.14 -0.04 1.09 -7.23 -1.26 -0.94 120.40 118.82 3m12 s VAL 224 Ca -0.01 -0.22 0.03 0.00 -1.81 0.00 0.00 61.98 59.97 3m12 s VAL 224 Cb -0.16 -3.73 0.01 0.00 0.56 0.00 0.00 36.38 33.05 3m12 s VAL 224 CO -0.07 -0.22 -0.12 0.68 -0.31 0.00 0.00 175.10 175.06 3m12 s VAL 225 N -1.94 1.04 0.03 1.32 -7.23 -0.47 -4.27 120.40 108.88 3m12 s VAL 225 Ca 0.40 -0.47 0.03 0.00 -1.81 0.00 0.00 61.98 60.13 3m12 s VAL 225 Cb -0.11 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 3m12 s VAL 225 CO 0.29 0.32 0.00 -0.83 -0.31 0.00 0.00 175.10 174.58 3m12 s GLY 226 N 0.37 1.90 -0.20 2.32 0.00 -0.24 -0.98 107.32 110.49 3m12 s GLY 226 Ca -0.08 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.62 3m12 s GLY 226 CO 0.02 -0.92 -0.13 -1.36 0.00 0.00 0.00 173.10 170.71 3m12 s PHE 227 N -1.17 2.85 0.01 1.90 2.99 0.03 -1.16 117.98 123.43 3m12 s PHE 227 Ca 0.22 -1.33 0.08 0.00 0.00 0.00 0.00 56.93 55.91 3m12 s PHE 227 Cb -0.12 -1.99 -0.02 0.00 0.00 0.00 0.00 43.02 40.89 3m12 s PHE 227 CO 0.13 -0.69 -0.25 -0.06 -0.00 0.00 0.00 175.22 174.36 3m12 s PHE 228 N 1.34 2.19 0.15 0.36 0.08 -0.16 -0.27 117.98 121.67 3m12 s PHE 228 Ca 0.05 -0.41 -0.31 0.00 0.12 0.00 0.00 56.93 56.37 3m12 s PHE 228 Cb -0.14 -1.37 -0.09 0.00 -0.57 0.00 0.00 43.02 40.85 3m12 s PHE 228 CO -0.08 0.03 1.52 -2.00 -0.10 0.00 0.00 175.22 174.59 3m12 s GLU 229 N -0.85 4.24 0.14 0.44 2.56 0.58 -1.86 118.70 123.95 3m12 s GLU 229 Ca 0.10 2.28 0.04 0.00 0.00 0.00 0.00 54.97 57.39 3m12 s GLU 229 Cb -0.10 -3.20 -0.04 0.00 2.00 0.00 0.00 34.13 32.79 3m12 s GLU 229 CO 0.00 -0.57 -0.10 -1.12 -0.56 0.00 0.00 175.26 172.92 3m12 s SER 230 N 1.19 1.68 -0.51 -1.70 0.01 -1.26 -2.48 113.70 110.63 3m12 s SER 230 Ca 0.69 -1.01 -0.27 0.00 1.31 0.00 0.00 55.95 56.67 3m12 s SER 230 Cb -0.42 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 3m12 s SER 230 CO 0.31 -0.35 1.96 -0.62 0.41 0.00 0.00 173.24 174.95 3m12 s ASP 231 N -3.14 5.26 0.50 2.44 3.68 -0.73 -4.86 116.67 119.81 3m12 s ASP 231 Ca 0.16 0.76 0.20 0.00 2.13 0.00 0.00 52.55 55.80 3m12 s ASP 231 Cb 0.03 -2.52 1.29 0.00 -1.45 0.00 0.00 42.92 40.27 3m12 s ASP 231 CO -0.00 -2.31 2.08 -0.33 0.13 0.00 0.00 175.17 174.74 3m12 h GLU 232 N 15.39 0.00 0.00 4.34 4.39 -1.95 0.58 114.58 137.33 3m12 h GLU 232 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3m12 h GLU 232 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3m12 h GLU 232 CO 1.15 0.11 0.00 -1.13 -1.16 0.00 0.00 179.01 177.98 3m12 n SER 233 N -4.13 0.48 -0.02 1.42 3.41 -1.26 -2.85 113.62 110.67 3m12 n SER 233 Ca -0.03 0.64 -0.02 0.00 -0.26 0.00 0.00 58.87 59.20 3m12 n SER 233 Cb 0.19 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.38 3m12 n SER 233 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3m12 n LYS 234 N -2.05 1.61 0.00 4.33 5.02 -0.25 -4.87 118.16 121.95 3m12 n LYS 234 Ca 0.02 0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.40 3m12 n LYS 234 Cb 0.18 -1.08 0.05 0.00 -0.02 0.00 0.00 35.03 34.16 3m12 n LYS 234 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3m12 n TYR 235 N -2.40 0.00 -2.48 2.13 4.02 0.03 -4.56 117.16 113.90 3m12 n TYR 235 Ca -0.06 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.44 3m12 n TYR 235 Cb 0.59 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.87 3m12 n TYR 235 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3m12 s SER 236 N -1.44 7.05 0.44 7.72 0.15 -1.13 -0.81 113.70 125.68 3m12 s SER 236 Ca 0.17 2.21 0.23 0.00 0.70 0.00 0.00 55.95 59.26 3m12 s SER 236 Cb 0.13 -2.61 1.22 0.00 -1.71 0.00 0.00 66.02 63.05 3m12 s SER 236 CO 0.24 -0.29 1.79 -1.13 1.20 0.00 0.00 173.24 175.05 3m12 h ASN 237 N 3.32 0.32 0.32 5.45 -1.24 -1.27 -2.19 115.58 120.29 3m12 h ASN 237 Ca -0.47 0.06 -0.04 0.00 0.71 0.00 0.00 56.30 56.56 3m12 h ASN 237 Cb 1.21 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 40.27 3m12 h ASN 237 CO 0.65 0.07 -0.19 0.44 -1.29 0.00 0.00 177.43 177.11 3m12 h ASP 238 N 0.29 0.00 -0.53 1.15 3.45 -1.91 -1.13 116.42 117.73 3m12 h ASP 238 Ca 0.57 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.03 3m12 h ASP 238 Cb 1.65 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.42 3m12 h ASP 238 CO -0.21 0.19 0.00 0.00 -1.57 0.00 0.00 179.24 177.65 3m12 n ILE 239 N -3.93 2.17 -2.12 0.35 0.13 -0.85 -4.96 119.36 110.15 3m12 n ILE 239 Ca -0.02 -1.38 -0.11 0.00 -1.10 0.00 0.00 62.75 60.14 3m12 n ILE 239 Cb 0.27 -0.05 -0.01 0.00 -0.84 0.00 0.00 39.64 39.02 3m12 n ILE 239 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 3m12 n ASP 240 N 0.62 -3.66 -4.72 9.51 8.00 -0.43 -4.97 116.55 120.90 3m12 n ASP 240 Ca 0.25 0.02 -0.42 0.00 0.71 0.00 0.00 54.79 55.35 3m12 n ASP 240 Cb 0.96 -2.82 -0.03 0.00 -0.02 0.00 0.00 41.12 39.21 3m12 n ASP 240 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3m12 s PHE 241 N -2.53 3.21 0.58 1.24 2.19 -1.03 -4.99 117.98 116.64 3m12 s PHE 241 Ca 0.00 0.95 -0.04 0.00 0.33 0.00 0.00 56.93 58.17 3m12 s PHE 241 Cb 0.00 -3.72 0.02 0.00 -1.31 0.00 0.00 43.02 38.02 3m12 s PHE 241 CO 0.00 -2.48 0.86 -1.25 1.83 0.00 0.00 175.22 174.18 3m12 s PRO 242 N 0.85 2.74 0.73 10.12 0.04 -1.26 -4.46 135.00 143.76 3m12 s PRO 242 Ca 0.64 -0.27 -0.12 0.00 0.04 0.00 0.00 61.00 61.28 3m12 s PRO 242 Cb -0.38 -2.34 0.03 0.00 0.04 0.00 0.00 34.50 31.85 3m12 s PRO 242 CO 0.32 -0.73 1.10 0.20 0.04 0.00 0.00 177.00 177.93 3m12 s GLY 243 N -4.35 1.88 -0.05 0.56 0.00 -0.73 -3.91 107.32 100.72 3m12 s GLY 243 Ca 0.55 0.38 -0.16 0.00 0.00 0.00 0.00 44.72 45.49 3m12 s GLY 243 CO 0.43 0.73 0.36 -0.11 0.00 0.00 0.00 173.10 174.51 3m12 s PHE 244 N -2.67 -0.28 -0.05 1.90 -0.71 -0.55 -0.57 117.98 115.07 3m12 s PHE 244 Ca 0.64 0.52 -0.02 0.00 -1.04 0.00 0.00 56.93 57.02 3m12 s PHE 244 Cb -0.19 0.13 0.03 0.00 -1.21 0.00 0.00 43.02 41.79 3m12 s PHE 244 CO 0.50 -0.36 0.05 1.41 -1.34 0.00 0.00 175.22 175.47 3m12 s MET 245 N -0.96 0.09 0.05 1.99 1.75 -0.66 -1.09 119.30 120.48 3m12 s MET 245 Ca -0.10 0.31 0.03 0.00 -1.25 0.00 0.00 55.69 54.68 3m12 s MET 245 Cb -0.04 -0.63 -0.03 0.00 2.84 0.00 0.00 34.83 36.97 3m12 s MET 245 CO 0.04 -0.33 -0.09 0.14 -0.65 0.00 0.00 175.02 174.13 3m12 s VAL 246 N 2.12 0.70 -0.16 10.11 -7.23 0.24 -3.84 120.40 122.34 3m12 s VAL 246 Ca 0.05 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 59.00 3m12 s VAL 246 Cb -0.12 -0.80 -0.02 0.00 0.56 0.00 0.00 36.38 36.00 3m12 s VAL 246 CO -0.04 -0.38 -0.07 -0.70 -0.31 0.00 0.00 175.10 173.60 3m12 s GLU 247 N -1.78 3.50 0.41 4.82 2.12 -0.48 -1.24 118.70 126.05 3m12 s GLU 247 Ca -0.06 -0.60 0.04 0.00 0.36 0.00 0.00 54.97 54.70 3m12 s GLU 247 Cb -0.09 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.42 3m12 s GLU 247 CO 0.01 0.14 0.04 0.14 -0.54 0.00 0.00 175.26 175.04 3m12 s VAL 248 N 0.59 1.39 0.39 3.70 -7.23 0.43 -4.09 120.40 115.58 3m12 s VAL 248 Ca -0.05 -2.00 0.13 0.00 -1.81 0.00 0.00 61.98 58.26 3m12 s VAL 248 Cb -0.15 -2.66 0.35 0.00 0.56 0.00 0.00 36.38 34.48 3m12 s VAL 248 CO 0.03 0.00 1.86 -0.65 -0.31 0.00 0.00 175.10 176.03 3m12 h PRO 249 N 1.77 0.52 -0.63 4.82 0.11 -1.99 -1.35 132.00 135.25 3m12 h PRO 249 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3m12 h PRO 249 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3m12 h PRO 249 CO 0.73 0.35 0.00 0.09 -0.21 0.00 0.00 178.00 178.96 3m12 n ASN 250 N -4.55 3.84 0.00 -2.05 3.02 -1.26 -5.04 115.26 109.23 3m12 n ASN 250 Ca 0.18 -2.23 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 3m12 n ASN 250 Cb 0.59 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 3m12 n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m12 n GLY 251 N 1.21 0.88 3.54 7.41 0.00 -0.51 -5.00 105.19 112.73 3m12 n GLY 251 Ca 0.22 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 3m12 n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m12 s ILE 252 N -2.12 3.75 0.12 -0.61 1.01 -1.26 -0.43 121.20 121.66 3m12 s ILE 252 Ca 0.00 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.29 3m12 s ILE 252 Cb 0.00 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 3m12 s ILE 252 CO 0.00 0.56 -0.18 -0.31 0.00 0.00 0.00 174.94 175.00 3m12 s TYR 253 N -0.30 1.67 0.07 3.97 2.02 -0.38 -0.12 117.35 124.28 3m12 s TYR 253 Ca 0.04 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 3m12 s TYR 253 Cb -0.13 -0.88 -0.03 0.00 -0.40 0.00 0.00 41.96 40.52 3m12 s TYR 253 CO 0.02 0.22 -0.06 1.52 -1.57 0.00 0.00 175.55 175.68 3m12 s TYR 254 N -1.63 0.74 0.17 2.71 1.13 -0.46 -0.59 117.35 119.41 3m12 s TYR 254 Ca 0.09 -0.79 -0.23 0.00 -1.41 0.00 0.00 57.07 54.74 3m12 s TYR 254 Cb -0.08 -0.45 0.08 0.00 -1.10 0.00 0.00 41.96 40.42 3m12 s TYR 254 CO 0.05 -0.16 1.06 0.20 -2.51 0.00 0.00 175.55 174.19 3m12 s GLY 255 N -2.49 0.11 0.01 5.49 0.00 -0.25 -0.85 107.32 109.34 3m12 s GLY 255 Ca 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.42 3m12 s GLY 255 CO -0.04 2.93 -0.03 -1.36 0.00 0.00 0.00 173.10 174.60 3m12 s PHE 256 N -2.10 0.26 0.90 1.90 0.08 -0.40 -1.48 117.98 117.15 3m12 s PHE 256 Ca 0.23 -0.23 -0.11 0.00 0.12 0.00 0.00 56.93 56.94 3m12 s PHE 256 Cb -0.03 -0.17 0.13 0.00 -0.57 0.00 0.00 43.02 42.39 3m12 s PHE 256 CO 0.05 -0.06 1.10 -1.25 -0.10 0.00 0.00 175.22 174.96 3m12 s PRO 257 N -0.64 1.17 0.03 0.24 0.04 -1.25 -2.80 135.00 131.79 3m12 s PRO 257 Ca -0.05 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 3m12 s PRO 257 Cb -0.05 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 3m12 s PRO 257 CO -0.00 -2.40 1.23 0.45 0.04 0.00 0.00 177.00 176.31 3m12 s SER 258 N -3.06 7.04 -0.22 6.66 0.15 0.01 -4.67 113.70 119.61 3m12 s SER 258 Ca 0.64 1.99 -0.07 0.00 0.70 0.00 0.00 55.95 59.22 3m12 s SER 258 Cb -0.20 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.50 3m12 s SER 258 CO 0.58 -0.52 0.06 -0.36 1.20 0.00 0.00 173.24 174.20 3m12 s PHE 259 N 1.44 3.13 -1.39 3.44 0.40 -1.26 -0.95 117.98 122.78 3m12 s PHE 259 Ca 0.59 -0.24 -0.10 0.00 -0.60 0.00 0.00 56.93 56.58 3m12 s PHE 259 Cb -0.29 -2.17 0.07 0.00 0.51 0.00 0.00 43.02 41.14 3m12 s PHE 259 CO 0.27 -0.17 0.61 0.41 0.70 0.00 0.00 175.22 177.05 3m12 n GLY 260 N 4.39 -0.49 2.27 4.36 0.00 -1.26 -1.21 105.19 113.24 3m12 n GLY 260 Ca -0.16 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 3m12 n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m12 n GLY 261 N -1.33 1.05 0.28 -0.02 0.00 -1.26 -4.92 105.19 98.99 3m12 n GLY 261 Ca -0.01 -0.61 0.18 0.00 0.00 0.00 0.00 46.02 45.58 3m12 n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m12 n GLY 263 N -0.06 1.75 3.75 0.00 0.00 -1.26 -4.77 105.19 104.59 3m12 n GLY 263 Ca 0.00 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 3m12 n GLY 263 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3m12 s LEU 264 N -0.38 4.53 -0.13 0.99 0.20 -0.78 -4.09 118.68 119.03 3m12 s LEU 264 Ca 0.00 2.12 -0.05 0.00 0.69 0.00 0.00 54.13 56.89 3m12 s LEU 264 Cb 0.00 -3.61 -0.04 0.00 -0.43 0.00 0.00 46.19 42.11 3m12 s LEU 264 CO 0.00 -0.15 0.06 -0.13 -0.29 0.00 0.00 176.35 175.84 3m12 s ARG 265 N -0.77 3.46 -0.01 1.98 0.52 -1.12 -0.99 118.95 122.02 3m12 s ARG 265 Ca 0.47 -0.32 0.01 0.00 -0.52 0.00 0.00 55.73 55.37 3m12 s ARG 265 Cb -0.30 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.13 3m12 s ARG 265 CO 0.36 0.57 -0.03 -1.17 0.02 0.00 0.00 175.30 175.05 3m12 s LEU 266 N -0.47 1.90 0.08 2.53 2.96 -0.31 -1.27 118.68 124.10 3m12 s LEU 266 Ca 0.10 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 3m12 s LEU 266 Cb -0.12 -0.19 -0.03 0.00 0.50 0.00 0.00 46.19 46.36 3m12 s LEU 266 CO 0.02 0.03 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.13 3m12 s GLY 267 N 0.06 0.80 -0.28 7.98 0.00 -0.03 -1.07 107.32 114.77 3m12 s GLY 267 Ca -0.00 -1.03 -0.12 0.00 0.00 0.00 0.00 44.72 43.57 3m12 s GLY 267 CO -0.00 -1.07 0.24 -0.47 0.00 0.00 0.00 173.10 171.80 3m12 s TYR 268 N -1.68 3.23 -0.07 1.90 5.04 -1.26 -1.36 117.35 123.15 3m12 s TYR 268 Ca -0.01 0.16 0.02 0.00 -2.44 0.00 0.00 57.07 54.81 3m12 s TYR 268 Cb -0.08 -2.44 -0.25 0.00 0.35 0.00 0.00 41.96 39.54 3m12 s TYR 268 CO 0.01 -0.20 0.57 1.25 -1.34 0.00 0.00 175.55 175.84 3m12 h HIS 269 N 8.34 0.26 -0.01 4.97 -0.00 -0.88 -3.38 115.15 124.44 3m12 h HIS 269 Ca -0.34 -0.19 0.00 0.00 -0.00 0.00 0.00 60.37 59.84 3m12 h HIS 269 Cb 1.18 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 3m12 h HIS 269 CO 0.75 1.38 -0.37 0.25 -0.00 0.00 0.00 177.93 179.94 3m12 n THR 270 N -3.28 0.00 -4.83 6.26 -2.24 -1.23 -4.82 114.28 104.14 3m12 n THR 270 Ca -0.23 -0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.15 3m12 n THR 270 Cb 1.05 0.67 -0.16 0.00 -2.10 0.00 0.00 70.33 69.79 3m12 n THR 270 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3m12 s PHE 271 N -2.55 1.60 0.16 4.78 5.36 -1.26 -5.02 117.98 121.05 3m12 s PHE 271 Ca 0.21 -0.36 -0.24 0.00 -0.96 0.00 0.00 56.93 55.58 3m12 s PHE 271 Cb 0.19 -1.05 0.06 0.00 -0.34 0.00 0.00 43.02 41.88 3m12 s PHE 271 CO 0.56 -0.08 0.73 0.20 -1.46 0.00 0.00 175.22 175.18 3m12 s GLY 272 N -0.24 -0.41 0.08 13.12 0.00 -1.26 -4.87 107.32 113.74 3m12 s GLY 272 Ca 0.03 0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.79 3m12 s GLY 272 CO 0.00 0.11 0.98 1.20 0.00 0.00 0.00 173.10 175.39 3m12 s GLN 273 N -3.61 4.64 0.01 2.90 1.11 -1.12 -4.78 119.66 118.82 3m12 s GLN 273 Ca 0.06 1.46 -0.30 0.00 0.01 0.00 0.00 55.36 56.59 3m12 s GLN 273 Cb -0.02 -3.40 -0.07 0.00 -1.01 0.00 0.00 33.01 28.51 3m12 s GLN 273 CO -0.05 0.12 1.60 0.15 0.01 0.00 0.00 175.29 177.12 3m12 s LYS 274 N 0.31 4.21 0.28 2.91 1.02 -1.26 -0.15 119.74 127.06 3m12 s LYS 274 Ca 0.49 2.21 0.03 0.00 0.02 0.00 0.00 55.97 58.72 3m12 s LYS 274 Cb -0.23 -3.74 -0.04 0.00 -0.52 0.00 0.00 37.83 33.30 3m12 s LYS 274 CO 0.30 -0.74 0.17 0.96 -0.92 0.00 0.00 175.35 175.11 3m12 s ILE 275 N 3.11 0.21 -0.10 2.17 -5.25 -0.74 -4.92 121.20 115.69 3m12 s ILE 275 Ca 0.72 -2.00 0.02 0.00 -0.99 0.00 0.00 60.65 58.40 3m12 s ILE 275 Cb -0.36 -2.51 -0.02 0.00 2.95 0.00 0.00 42.46 42.52 3m12 s ILE 275 CO 0.30 0.00 -0.16 -0.62 -1.79 0.00 0.00 174.94 172.67 3m12 s ASP 276 N -3.32 3.82 0.41 4.36 3.68 -1.26 -4.26 116.67 120.10 3m12 s ASP 276 Ca 0.37 -0.34 0.29 0.00 2.13 0.00 0.00 52.55 55.00 3m12 s ASP 276 Cb 0.05 -1.35 1.44 0.00 -1.45 0.00 0.00 42.92 41.61 3m12 s ASP 276 CO 0.18 0.21 1.87 1.55 0.13 0.00 0.00 175.17 179.11 3m12 h PRO 277 N 6.35 0.00 -0.00 4.34 0.13 -1.96 -0.53 132.00 140.33 3m12 h PRO 277 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3m12 h PRO 277 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3m12 h PRO 277 CO 0.53 0.00 -0.42 -0.25 -0.23 0.00 0.00 178.00 177.63 3m12 n ASP 278 N -2.54 0.75 0.00 1.44 10.43 -1.26 -4.29 116.55 121.08 3m12 n ASP 278 Ca -0.01 -0.55 0.00 0.00 2.57 0.00 0.00 54.79 56.80 3m12 n ASP 278 Cb 0.12 0.23 0.00 0.00 1.84 0.00 0.00 41.12 43.31 3m12 n ASP 278 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 3m12 n THR 279 N -1.13 0.27 -1.96 -3.53 -2.24 -0.32 -5.08 114.28 100.29 3m12 n THR 279 Ca 0.08 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 61.07 3m12 n THR 279 Cb 0.34 1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 69.66 3m12 n THR 279 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3m12 s ILE 280 N -0.27 2.38 -0.24 2.28 2.07 -0.56 -4.90 121.20 121.96 3m12 s ILE 280 Ca 0.00 0.38 -0.25 0.00 -1.41 0.00 0.00 60.65 59.37 3m12 s ILE 280 Cb 0.00 -3.24 -0.00 0.00 0.13 0.00 0.00 42.46 39.35 3m12 s ILE 280 CO 0.00 0.08 0.84 0.21 -1.91 0.00 0.00 174.94 174.16 3m12 s ASN 281 N -0.38 6.84 -0.20 4.50 2.47 -1.26 -4.95 114.94 121.95 3m12 s ASN 281 Ca 0.52 1.04 0.15 0.00 0.42 0.00 0.00 52.86 54.99 3m12 s ASN 281 Cb -0.43 -2.44 0.77 0.00 -1.45 0.00 0.00 41.25 37.70 3m12 s ASN 281 CO 0.57 -0.53 1.69 0.54 -3.72 0.00 0.00 177.10 175.65 3m12 n ARG 282 N 6.03 4.44 -3.66 0.43 1.74 -1.26 -4.90 116.66 119.48 3m12 n ARG 282 Ca 0.06 -3.07 -0.36 0.00 -0.77 0.00 0.00 57.85 53.71 3m12 n ARG 282 Cb 0.47 -2.14 -0.08 0.00 -1.02 0.00 0.00 32.46 29.70 3m12 n ARG 282 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3m12 s GLU 283 N -2.58 4.20 0.09 5.56 2.12 -1.26 -4.49 118.70 122.34 3m12 s GLU 283 Ca 0.52 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 55.43 3m12 s GLU 283 Cb 0.39 -3.44 -0.06 0.00 0.26 0.00 0.00 34.13 31.29 3m12 s GLU 283 CO 0.17 0.25 1.12 0.12 -0.54 0.00 0.00 175.26 176.38 3m12 s PHE 284 N 0.48 3.54 0.00 5.30 2.19 -1.26 -3.85 117.98 124.38 3m12 s PHE 284 Ca 0.11 1.48 0.00 0.00 0.33 0.00 0.00 56.93 58.84 3m12 s PHE 284 Cb -0.12 -3.31 0.00 0.00 -1.31 0.00 0.00 43.02 38.28 3m12 s PHE 284 CO 0.00 -0.81 0.00 0.41 1.83 0.00 0.00 175.22 176.66 3m12 n GLY 285 N 2.77 0.59 0.17 13.12 0.00 -1.26 -4.97 105.19 115.60 3m12 n GLY 285 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 3m12 n GLY 285 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3m12 h VAL 286 N 0.00 1.13 -3.24 1.61 -1.51 -2.00 -3.39 116.25 108.85 3m12 h VAL 286 Ca 0.00 -1.69 -0.60 0.00 -1.23 0.00 0.00 66.70 63.19 3m12 h VAL 286 Cb 0.00 1.96 -0.10 0.00 -2.13 0.00 0.00 31.29 31.02 3m12 h VAL 286 CO 0.00 0.45 -0.34 -0.31 -1.23 0.00 0.00 177.57 176.14 3m12 s TYR 287 N -3.70 3.48 0.54 5.19 2.02 -1.26 -4.99 117.35 118.63 3m12 s TYR 287 Ca -0.01 0.58 0.24 0.00 -0.37 0.00 0.00 57.07 57.51 3m12 s TYR 287 Cb 0.12 -2.30 1.42 0.00 -0.40 0.00 0.00 41.96 40.80 3m12 s TYR 287 CO 0.72 0.29 2.06 -1.00 -1.57 0.00 0.00 175.55 176.04 3m12 h PRO 288 N 6.48 0.00 0.00 -1.71 0.13 -2.04 -1.01 132.00 133.85 3m12 h PRO 288 Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 3m12 h PRO 288 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3m12 h PRO 288 CO 0.74 0.00 -0.16 0.93 -0.23 0.00 0.00 178.00 179.29 3m12 h GLU 289 N 0.00 0.00 -0.06 0.86 3.07 -1.94 -2.65 114.58 113.87 3m12 h GLU 289 Ca 0.15 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.05 3m12 h GLU 289 Cb 0.64 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.49 3m12 h GLU 289 CO -0.00 0.16 -0.40 -0.44 -1.40 0.00 0.00 179.01 176.92 3m12 h ASP 290 N 0.00 -1.23 0.24 1.42 3.45 -1.53 -1.35 116.42 117.43 3m12 h ASP 290 Ca -0.00 0.16 -0.34 0.00 0.43 0.00 0.00 57.03 57.27 3m12 h ASP 290 Cb 0.48 0.49 0.02 0.00 -0.56 0.00 0.00 39.33 39.76 3m12 h ASP 290 CO 0.02 -0.43 -1.63 -0.08 -1.57 0.00 0.00 179.24 175.55 3m12 h GLU 291 N -0.52 0.45 -0.52 3.56 4.81 -1.75 -3.37 114.58 117.24 3m12 h GLU 291 Ca 0.06 -0.76 -0.10 0.00 -0.13 0.00 0.00 59.36 58.43 3m12 h GLU 291 Cb 0.62 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 3m12 h GLU 291 CO -0.34 1.36 -0.06 0.66 -0.73 0.00 0.00 179.01 179.90 3m12 h SER 292 N 0.12 0.91 -0.45 1.04 4.64 -1.39 -1.69 113.55 116.74 3m12 h SER 292 Ca -0.30 -0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 60.72 3m12 h SER 292 Cb 2.13 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 63.95 3m12 h SER 292 CO 0.22 1.00 0.19 0.78 -0.87 0.00 0.00 176.83 178.16 3m12 h ASN 293 N 0.84 0.64 -0.04 4.97 -0.26 -1.44 -1.97 115.58 118.32 3m12 h ASN 293 Ca 0.15 -0.07 -0.12 0.00 -0.56 0.00 0.00 56.30 55.69 3m12 h ASN 293 Cb 0.58 -0.16 0.01 0.00 -1.06 0.00 0.00 38.32 37.68 3m12 h ASN 293 CO 0.03 0.58 -0.46 -0.07 -1.06 0.00 0.00 177.43 176.46 3m12 h LEU 294 N 0.70 0.47 -1.29 1.61 3.38 -1.63 -3.18 115.31 115.37 3m12 h LEU 294 Ca 0.17 -0.71 -0.07 0.00 0.09 0.00 0.00 57.88 57.37 3m12 h LEU 294 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3m12 h LEU 294 CO -0.02 1.11 -0.27 0.03 0.09 0.00 0.00 178.44 179.38 3m12 h ARG 295 N -0.12 0.13 -0.77 1.13 3.08 -1.24 -1.42 114.38 115.17 3m12 h ARG 295 Ca -0.05 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.97 3m12 h ARG 295 Cb 1.14 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.14 3m12 h ARG 295 CO 0.09 0.40 0.51 0.00 -1.07 0.00 0.00 179.97 179.90 3m12 h ALA 296 N 1.61 0.98 0.05 0.04 0.00 -1.41 -0.11 119.26 120.43 3m12 h ALA 296 Ca 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3m12 h ALA 296 Cb 0.55 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3m12 h ALA 296 CO 0.04 0.40 -0.03 0.35 0.00 0.00 0.00 179.25 180.02 3m12 h PHE 297 N 1.05 -0.07 -0.74 0.00 3.57 -1.43 -3.24 116.94 116.08 3m12 h PHE 297 Ca 0.28 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 3m12 h PHE 297 Cb -0.11 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3m12 h PHE 297 CO -0.02 0.27 0.36 -0.07 -2.23 0.00 0.00 178.31 176.62 3m12 h LEU 298 N -0.41 0.97 -1.64 0.59 3.38 -1.04 -0.86 115.31 116.29 3m12 h LEU 298 Ca -0.01 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3m12 h LEU 298 Cb 0.37 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3m12 h LEU 298 CO 0.01 0.83 -0.20 1.05 0.09 0.00 0.00 178.44 180.22 3m12 h GLU 299 N 1.04 0.00 0.14 1.13 4.11 -1.12 -0.51 114.58 119.37 3m12 h GLU 299 Ca 0.25 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.37 3m12 h GLU 299 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3m12 h GLU 299 CO -0.03 0.20 -1.61 1.49 0.07 0.00 0.00 179.01 179.13 3m12 h GLU 300 N 0.00 0.30 0.00 1.06 4.57 -1.48 -3.41 114.58 115.63 3m12 h GLU 300 Ca -0.00 -0.52 -0.08 0.00 -1.18 0.00 0.00 59.36 57.59 3m12 h GLU 300 Cb 0.39 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 3m12 h GLU 300 CO 0.03 1.25 -1.46 0.66 -1.18 0.00 0.00 179.01 178.31 3m12 n TYR 301 N -3.75 0.00 -3.16 0.92 4.01 -0.37 -4.73 117.16 110.08 3m12 n TYR 301 Ca -0.26 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.29 3m12 n TYR 301 Cb 0.98 -0.29 -0.03 0.00 -0.31 0.00 0.00 39.34 39.69 3m12 n TYR 301 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3m12 n MET 302 N -2.06 0.90 0.25 -0.72 2.81 -0.29 -0.48 117.12 117.53 3m12 n MET 302 Ca -0.07 -3.23 0.11 0.00 -1.81 0.00 0.00 57.70 52.69 3m12 n MET 302 Cb 0.51 -1.54 0.65 0.00 -0.71 0.00 0.00 33.22 32.13 3m12 n MET 302 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3m12 h PRO 303 N 3.29 0.00 0.00 0.03 0.13 -1.50 -0.80 132.00 133.15 3m12 h PRO 303 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3m12 h PRO 303 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3m12 h PRO 303 CO 0.47 0.16 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 3m12 n GLY 304 N -0.56 -0.99 0.83 1.56 0.00 -1.26 -2.77 105.19 101.99 3m12 n GLY 304 Ca -0.02 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.99 3m12 n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m12 n ALA 305 N -1.27 2.43 -1.31 4.61 0.00 -0.31 -1.78 120.51 122.89 3m12 n ALA 305 Ca 0.11 -0.79 -0.23 0.00 0.00 0.00 0.00 53.44 52.53 3m12 n ALA 305 Cb 0.17 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 3m12 n ALA 305 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3m12 n ASN 306 N 1.09 6.34 -0.61 0.00 4.05 -1.12 -4.62 115.26 120.39 3m12 n ASN 306 Ca 0.13 -3.10 0.00 0.00 0.45 0.00 0.00 54.58 52.06 3m12 n ASN 306 Cb 0.49 -1.21 0.00 0.00 1.23 0.00 0.00 39.78 40.28 3m12 n ASN 306 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3m12 n GLY 307 N 0.94 1.41 3.69 8.20 0.00 -1.04 -5.03 105.19 113.36 3m12 n GLY 307 Ca 0.44 -1.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.06 3m12 n GLY 307 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3m12 n GLU 308 N -0.03 2.13 -2.41 1.61 2.13 -1.26 -4.42 120.64 118.39 3m12 n GLU 308 Ca 0.00 0.75 -0.43 0.00 0.66 0.00 0.00 57.16 58.15 3m12 n GLU 308 Cb 0.00 -2.40 -0.02 0.00 0.27 0.00 0.00 31.44 29.29 3m12 n GLU 308 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3m12 s LEU 309 N -0.34 4.12 -0.09 4.31 2.96 -1.26 -0.31 118.68 128.06 3m12 s LEU 309 Ca 0.63 1.60 0.04 0.00 -0.22 0.00 0.00 54.13 56.18 3m12 s LEU 309 Cb -0.61 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.30 3m12 s LEU 309 CO 0.54 -0.84 0.47 0.29 -1.32 0.00 0.00 176.35 175.49 3m12 n LYS 310 N 6.78 0.69 -3.58 1.98 5.02 0.63 -4.96 118.16 124.72 3m12 n LYS 310 Ca 0.14 0.26 -0.08 0.00 -2.02 0.00 0.00 58.31 56.62 3m12 n LYS 310 Cb 0.45 -1.73 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 3m12 n LYS 310 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3m12 s ARG 311 N -2.57 0.50 0.06 1.97 3.52 -1.21 -5.03 118.95 116.19 3m12 s ARG 311 Ca -0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 3m12 s ARG 311 Cb 0.07 0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.66 3m12 s ARG 311 CO 0.79 -0.18 -0.05 0.20 -0.81 0.00 0.00 175.30 175.25 3m12 s GLY 312 N -1.57 0.52 0.09 8.12 0.00 -1.26 -0.79 107.32 112.42 3m12 s GLY 312 Ca 0.03 -1.10 0.06 0.00 0.00 0.00 0.00 44.72 43.71 3m12 s GLY 312 CO -0.03 -1.19 -0.15 0.00 0.00 0.00 0.00 173.10 171.73 3m12 s ALA 313 N -3.14 1.32 -0.17 3.20 0.00 -0.16 -4.79 121.76 118.02 3m12 s ALA 313 Ca 0.03 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.90 3m12 s ALA 313 Cb 0.02 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.06 3m12 s ALA 313 CO -0.06 0.17 -0.17 0.08 0.00 0.00 0.00 175.76 175.78 3m12 s VAL 314 N -1.48 1.85 0.36 0.00 1.01 -1.26 -1.37 120.40 119.51 3m12 s VAL 314 Ca 0.02 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3m12 s VAL 314 Cb -0.09 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3m12 s VAL 314 CO 0.03 0.48 0.11 0.00 0.00 0.00 0.00 175.10 175.72 3m12 s MET 316 N -3.80 1.30 0.18 0.00 -1.94 -1.22 0.02 119.30 113.84 3m12 s MET 316 Ca 0.30 -0.47 0.01 0.00 -1.71 0.00 0.00 55.69 53.83 3m12 s MET 316 Cb 0.05 -1.19 -0.04 0.00 2.01 0.00 0.00 34.83 35.66 3m12 s MET 316 CO 0.15 0.22 0.33 0.71 -0.01 0.00 0.00 175.02 176.42 3m12 s TYR 317 N -0.02 3.48 -0.26 -0.03 2.02 -0.53 -4.55 117.35 117.46 3m12 s TYR 317 Ca -0.01 0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.88 3m12 s TYR 317 Cb -0.09 -1.73 0.08 0.00 -0.40 0.00 0.00 41.96 39.82 3m12 s TYR 317 CO 0.01 0.46 0.01 0.99 -1.57 0.00 0.00 175.55 175.45 3m12 s THR 318 N -1.81 1.26 -0.08 -0.71 2.01 -1.26 -0.57 115.64 114.48 3m12 s THR 318 Ca 0.36 -1.28 -0.12 0.00 0.31 0.00 0.00 61.69 60.96 3m12 s THR 318 Cb -0.11 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 3m12 s THR 318 CO 0.29 -0.33 0.30 -0.54 -0.69 0.00 0.00 174.62 173.65 3m12 s LYS 319 N 1.48 3.89 0.63 4.92 1.02 -0.23 -0.44 119.74 131.01 3m12 s LYS 319 Ca 0.01 0.17 -0.05 0.00 0.02 0.00 0.00 55.97 56.12 3m12 s LYS 319 Cb -0.18 -3.28 0.03 0.00 -0.52 0.00 0.00 37.83 33.88 3m12 s LYS 319 CO -0.12 0.57 0.93 0.95 -0.92 0.00 0.00 175.35 176.77 3m12 s THR 320 N -0.59 3.03 0.41 2.17 -4.23 -1.26 -1.61 115.64 113.56 3m12 s THR 320 Ca 0.19 -0.18 0.21 0.00 -1.18 0.00 0.00 61.69 60.74 3m12 s THR 320 Cb -0.14 -3.23 0.22 0.00 1.34 0.00 0.00 72.50 70.69 3m12 s THR 320 CO 0.08 -0.24 2.00 -0.07 -0.54 0.00 0.00 174.62 175.85 3m12 h LEU 321 N -0.31 0.00 -1.78 4.79 3.38 -1.81 -2.84 115.31 116.74 3m12 h LEU 321 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3m12 h LEU 321 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3m12 h LEU 321 CO 0.60 0.18 0.00 -0.90 0.09 0.00 0.00 178.44 178.41 3m12 n ASP 322 N -3.92 2.57 -0.63 -0.43 5.68 -1.26 -4.98 116.55 113.59 3m12 n ASP 322 Ca -0.02 -1.77 -0.08 0.00 -0.50 0.00 0.00 54.79 52.42 3m12 n ASP 322 Cb 0.27 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.19 3m12 n ASP 322 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3m12 n GLU 323 N 1.03 -1.26 -3.82 0.11 1.02 -1.07 -5.01 120.64 111.64 3m12 n GLU 323 Ca 0.11 0.73 -0.27 0.00 -0.02 0.00 0.00 57.16 57.71 3m12 n GLU 323 Cb 0.46 -4.86 -0.03 0.00 -0.02 0.00 0.00 31.44 26.99 3m12 n GLU 323 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3m12 s HIS 324 N -1.96 3.49 0.86 -0.32 3.76 -1.26 -4.79 115.29 115.06 3m12 s HIS 324 Ca 0.00 0.23 -0.11 0.00 -0.15 0.00 0.00 55.06 55.03 3m12 s HIS 324 Cb 0.00 -1.76 0.11 0.00 1.11 0.00 0.00 32.58 32.04 3m12 s HIS 324 CO 0.00 0.45 1.09 -0.06 -0.85 0.00 0.00 174.74 175.37 3m12 s PHE 325 N -1.80 2.43 -0.27 1.40 0.08 -1.26 -4.66 117.98 113.90 3m12 s PHE 325 Ca 0.36 1.29 -0.03 0.00 0.12 0.00 0.00 56.93 58.67 3m12 s PHE 325 Cb -0.11 -3.14 0.03 0.00 -0.57 0.00 0.00 43.02 39.23 3m12 s PHE 325 CO 0.29 -2.21 -0.01 0.42 -0.10 0.00 0.00 175.22 173.60 3m12 s ILE 326 N -2.96 3.19 -0.23 0.64 1.01 0.63 -4.38 121.20 119.10 3m12 s ILE 326 Ca 0.63 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 3m12 s ILE 326 Cb -0.17 -2.67 0.08 0.00 0.01 0.00 0.00 42.46 39.71 3m12 s ILE 326 CO 0.56 0.11 0.09 -0.63 0.00 0.00 0.00 174.94 175.08 3m12 s ILE 327 N 1.36 0.14 0.06 2.92 1.01 -0.75 -0.93 121.20 125.01 3m12 s ILE 327 Ca -0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 60.65 59.82 3m12 s ILE 327 Cb -0.17 -0.91 0.09 0.00 0.01 0.00 0.00 42.46 41.48 3m12 s ILE 327 CO -0.02 -0.44 1.02 -0.62 0.00 0.00 0.00 174.94 174.88 3m12 s ASP 328 N 2.01 -0.20 0.44 3.58 3.68 -0.90 -4.51 116.67 120.77 3m12 s ASP 328 Ca 0.04 -0.22 -0.22 0.00 2.13 0.00 0.00 52.55 54.27 3m12 s ASP 328 Cb -0.16 0.38 -0.09 0.00 -1.45 0.00 0.00 42.92 41.60 3m12 s ASP 328 CO -0.19 -0.67 1.06 -0.76 0.13 0.00 0.00 175.17 174.74 3m12 s LEU 329 N -2.78 4.01 0.17 -1.34 1.43 -1.26 -0.60 118.68 118.31 3m12 s LEU 329 Ca 0.11 2.02 -0.33 0.00 -1.03 0.00 0.00 54.13 54.90 3m12 s LEU 329 Cb -0.00 -4.33 -0.13 0.00 0.03 0.00 0.00 46.19 41.76 3m12 s LEU 329 CO -0.02 -0.65 1.68 1.57 0.23 0.00 0.00 176.35 179.16 3m12 n HIS 330 N -0.46 2.51 0.11 0.29 -0.00 -0.08 -4.84 115.22 112.74 3m12 n HIS 330 Ca 0.07 0.12 0.17 0.00 -0.00 0.00 0.00 57.72 58.07 3m12 n HIS 330 Cb 0.51 -2.62 0.71 0.00 -0.00 0.00 0.00 29.99 28.58 3m12 n HIS 330 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3m12 h PRO 331 N 6.69 0.00 0.00 1.57 0.11 -1.94 -2.38 132.00 136.05 3m12 h PRO 331 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3m12 h PRO 331 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3m12 h PRO 331 CO 0.93 0.00 -1.50 0.39 -0.21 0.00 0.00 178.00 177.61 3m12 n GLU 332 N -4.27 0.43 -3.62 1.05 1.02 -1.26 -4.85 120.64 109.14 3m12 n GLU 332 Ca 0.05 -0.09 -0.29 0.00 -0.02 0.00 0.00 57.16 56.81 3m12 n GLU 332 Cb 0.43 -1.56 -0.15 0.00 -0.02 0.00 0.00 31.44 30.14 3m12 n GLU 332 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3m12 s HIS 333 N -3.33 0.71 -0.44 -0.32 3.76 -0.90 -4.99 115.29 109.79 3m12 s HIS 333 Ca -0.01 -1.01 0.22 0.00 -0.15 0.00 0.00 55.06 54.11 3m12 s HIS 333 Cb 0.14 -1.08 0.99 0.00 1.11 0.00 0.00 32.58 33.74 3m12 s HIS 333 CO 0.87 -0.78 1.68 -1.13 -0.85 0.00 0.00 174.74 174.53 3m12 n SER 334 N 5.14 0.60 -0.98 1.40 3.41 -1.26 -1.86 113.62 120.07 3m12 n SER 334 Ca -0.05 0.68 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 3m12 n SER 334 Cb 0.43 -0.80 0.23 0.00 -0.26 0.00 0.00 64.21 63.82 3m12 n SER 334 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3m12 n ASN 335 N -2.20 2.84 -4.15 4.04 6.94 -1.26 -4.84 115.26 116.63 3m12 n ASN 335 Ca 0.01 -2.03 -0.30 0.00 -0.02 0.00 0.00 54.58 52.24 3m12 n ASN 335 Cb 0.18 -0.36 -0.17 0.00 -2.36 0.00 0.00 39.78 37.07 3m12 n ASN 335 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3m12 s VAL 336 N -1.35 1.83 -0.11 3.53 1.01 -0.78 -0.91 120.40 123.62 3m12 s VAL 336 Ca 0.35 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 3m12 s VAL 336 Cb 0.18 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3m12 s VAL 336 CO 0.23 0.51 -0.08 -0.69 0.00 0.00 0.00 175.10 175.06 3m12 s VAL 337 N 0.65 3.53 -0.14 2.92 1.01 0.93 -0.91 120.40 128.39 3m12 s VAL 337 Ca -0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 3m12 s VAL 337 Cb -0.16 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3m12 s VAL 337 CO 0.03 0.55 -0.10 -0.63 0.00 0.00 0.00 175.10 174.95 3m12 s ILE 338 N -0.18 3.26 -0.23 2.22 -1.09 0.23 -0.29 121.20 125.11 3m12 s ILE 338 Ca 0.02 -0.58 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 3m12 s ILE 338 Cb -0.13 -2.39 0.06 0.00 -1.58 0.00 0.00 42.46 38.42 3m12 s ILE 338 CO 0.03 0.51 -0.02 0.00 -1.23 0.00 0.00 174.94 174.22 3m12 s ALA 339 N 0.46 1.77 0.17 9.38 0.00 -0.11 -2.11 121.76 131.33 3m12 s ALA 339 Ca -0.08 -1.27 -0.14 0.00 0.00 0.00 0.00 51.96 50.47 3m12 s ALA 339 Cb -0.15 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.57 3m12 s ALA 339 CO 0.04 -1.23 0.41 0.00 0.00 0.00 0.00 175.76 174.99 3m12 s ALA 340 N 1.48 -0.57 -0.64 0.00 0.00 -0.11 -4.30 121.76 117.62 3m12 s ALA 340 Ca -0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 3m12 s ALA 340 Cb -0.18 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.76 3m12 s ALA 340 CO -0.08 -0.72 0.55 0.41 0.00 0.00 0.00 175.76 175.92 3m12 n GLY 341 N -0.27 0.12 0.00 0.00 0.00 -1.26 -0.27 105.19 103.50 3m12 n GLY 341 Ca -0.10 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.84 3m12 n GLY 341 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m12 n PHE 342 N -3.15 0.00 -2.69 1.61 3.72 -1.09 -4.05 117.46 111.81 3m12 n PHE 342 Ca -0.07 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.13 3m12 n PHE 342 Cb 0.56 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 3m12 n PHE 342 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3m12 n SER 343 N -1.25 -5.21 0.00 4.37 7.64 0.42 -1.68 113.62 117.91 3m12 n SER 343 Ca 0.12 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3m12 n SER 343 Cb 0.17 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 59.06 3m12 n SER 343 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m12 n GLY 344 N -1.12 0.59 1.11 0.23 0.00 -1.26 -4.88 105.19 99.86 3m12 n GLY 344 Ca -0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.88 3m12 n GLY 344 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3m12 n HIS 345 N -2.72 0.00 0.11 1.61 -0.00 -0.67 -4.92 115.22 108.63 3m12 n HIS 345 Ca 0.00 -0.33 0.11 0.00 -0.00 0.00 0.00 57.72 57.51 3m12 n HIS 345 Cb 0.02 -0.05 -0.04 0.00 -0.00 0.00 0.00 29.99 29.92 3m12 n HIS 345 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3m12 n GLY 346 N 0.28 -1.32 0.28 -1.39 0.00 -1.20 -4.53 105.19 97.33 3m12 n GLY 346 Ca 0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 3m12 n GLY 346 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3m12 h PHE 347 N 0.00 0.92 -0.46 1.61 3.57 -1.91 -1.68 116.94 118.99 3m12 h PHE 347 Ca 0.00 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 3m12 h PHE 347 Cb 0.98 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3m12 h PHE 347 CO 0.00 0.62 0.35 1.57 -2.23 0.00 0.00 178.31 178.63 3m12 h LYS 348 N 0.96 0.00 -0.01 1.11 2.10 -1.79 0.47 116.57 119.41 3m12 h LYS 348 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3m12 h LYS 348 Cb -0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 3m12 h LYS 348 CO -0.05 0.00 -0.27 1.19 -2.00 0.00 0.00 179.45 178.32 3m12 n PHE 349 N -4.27 0.00 -0.18 0.07 3.72 -0.65 -4.53 117.46 111.61 3m12 n PHE 349 Ca 0.08 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.57 3m12 n PHE 349 Cb 0.56 -0.14 0.39 0.00 -0.94 0.00 0.00 39.48 39.35 3m12 n PHE 349 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3m12 h SER 350 N 1.01 0.60 -0.09 4.37 4.64 -0.71 0.30 113.55 123.66 3m12 h SER 350 Ca 0.00 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3m12 h SER 350 Cb 0.49 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3m12 h SER 350 CO 0.00 0.36 0.03 0.77 -0.87 0.00 0.00 176.83 177.12 3m12 h SER 351 N 0.67 0.14 -0.75 4.97 4.64 -1.80 0.90 113.55 122.32 3m12 h SER 351 Ca 0.34 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 3m12 h SER 351 Cb 0.43 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 3m12 h SER 351 CO -0.12 0.31 0.31 1.23 -0.87 0.00 0.00 176.83 177.68 3m12 h GLY 352 N -0.04 1.19 1.08 -0.77 0.00 -1.48 -2.66 103.07 100.39 3m12 h GLY 352 Ca 0.03 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 3m12 h GLY 352 CO -0.00 0.60 0.26 -2.08 0.00 0.00 0.00 176.54 175.32 3m12 h VAL 353 N 1.07 1.26 -0.63 4.60 2.07 -0.31 -1.12 116.25 123.19 3m12 h VAL 353 Ca 0.25 -0.87 0.10 0.00 0.82 0.00 0.00 66.70 66.99 3m12 h VAL 353 Cb 0.20 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 3m12 h VAL 353 CO -0.02 0.35 0.24 1.23 0.02 0.00 0.00 177.57 179.39 3m12 h GLY 354 N 1.13 0.89 0.93 2.17 0.00 -0.54 0.18 103.07 107.84 3m12 h GLY 354 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3m12 h GLY 354 CO -0.01 -0.03 0.13 -2.09 0.00 0.00 0.00 176.54 174.54 3m12 h GLU 355 N 0.42 0.37 -0.32 4.80 4.81 -1.10 -1.88 114.58 121.68 3m12 h GLU 355 Ca 0.32 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.53 3m12 h GLU 355 Cb 0.41 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 3m12 h GLU 355 CO -0.32 0.35 0.15 0.28 -0.73 0.00 0.00 179.01 178.75 3m12 h VAL 356 N 0.29 0.97 -0.64 0.32 2.07 -0.53 -1.28 116.25 117.45 3m12 h VAL 356 Ca 0.09 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3m12 h VAL 356 Cb 0.10 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3m12 h VAL 356 CO -0.01 0.06 0.27 -0.07 0.02 0.00 0.00 177.57 177.84 3m12 h LEU 357 N 0.32 0.86 -0.35 2.57 3.38 -0.59 0.13 115.31 121.62 3m12 h LEU 357 Ca 0.14 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3m12 h LEU 357 Cb 0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3m12 h LEU 357 CO -0.11 0.78 0.13 -1.28 0.09 0.00 0.00 178.44 178.05 3m12 h SER 358 N 0.89 0.15 -0.30 -0.43 0.87 -1.12 0.25 113.55 113.86 3m12 h SER 358 Ca 0.21 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 3m12 h SER 358 Cb 0.17 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3m12 h SER 358 CO -0.02 0.13 0.07 1.56 -0.53 0.00 0.00 176.83 178.04 3m12 h GLN 359 N 0.29 0.48 -0.65 2.24 4.20 -0.73 -1.18 115.11 119.75 3m12 h GLN 359 Ca 0.16 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3m12 h GLN 359 Cb 0.12 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3m12 h GLN 359 CO -0.15 0.55 0.41 -0.07 -0.67 0.00 0.00 178.83 178.90 3m12 h LEU 360 N 0.32 0.77 -0.57 1.46 3.38 -0.59 0.02 115.31 120.09 3m12 h LEU 360 Ca 0.09 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3m12 h LEU 360 Cb 0.29 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3m12 h LEU 360 CO 0.00 0.58 0.05 0.00 0.09 0.00 0.00 178.44 179.17 3m12 h ALA 361 N 1.21 0.76 0.07 1.53 0.00 -0.81 0.69 119.26 122.72 3m12 h ALA 361 Ca 0.23 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 3m12 h ALA 361 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3m12 h ALA 361 CO -0.05 0.54 -1.28 -0.07 0.00 0.00 0.00 179.25 178.40 3m12 h LEU 362 N 0.86 0.24 0.00 0.00 3.38 -1.05 -3.41 115.31 115.33 3m12 h LEU 362 Ca 0.17 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3m12 h LEU 362 Cb 0.47 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3m12 h LEU 362 CO 0.02 1.24 -0.29 0.35 0.09 0.00 0.00 178.44 179.85 3m12 n THR 363 N -3.41 0.00 -0.94 0.22 -2.24 -0.02 -5.01 114.28 102.87 3m12 n THR 363 Ca -0.08 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3m12 n THR 363 Cb 1.00 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 3m12 n THR 363 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m12 n GLY 364 N 1.07 0.93 3.18 3.38 0.00 0.23 -5.00 105.19 108.97 3m12 n GLY 364 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3m12 n GLY 364 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m12 s LYS 365 N -0.06 1.02 0.03 1.61 1.02 -1.25 -4.90 119.74 117.21 3m12 s LYS 365 Ca 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.49 3m12 s LYS 365 Cb 0.00 0.15 -0.02 0.00 -0.52 0.00 0.00 37.83 37.43 3m12 s LYS 365 CO 0.00 -0.26 -0.04 -0.08 -0.92 0.00 0.00 175.35 174.05 3m12 s THR 366 N -4.00 0.21 0.11 2.17 -1.32 -1.26 -2.95 115.64 108.61 3m12 s THR 366 Ca 0.27 -1.13 0.26 0.00 -1.21 0.00 0.00 61.69 59.88 3m12 s THR 366 Cb 0.07 -0.58 0.28 0.00 -1.51 0.00 0.00 72.50 70.76 3m12 s THR 366 CO 0.04 -0.59 1.86 1.05 -2.21 0.00 0.00 174.62 174.78 3m12 h GLU 367 N 4.30 0.00 -6.68 7.08 4.11 -1.97 -3.45 114.58 117.98 3m12 h GLU 367 Ca -0.33 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.60 3m12 h GLU 367 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 3m12 h GLU 367 CO 0.46 0.16 0.10 -1.01 0.07 0.00 0.00 179.01 178.80 3m12 s HIS 368 N -3.65 3.46 -0.39 2.06 3.76 -1.26 -5.02 115.29 114.25 3m12 s HIS 368 Ca 0.01 1.27 -0.29 0.00 -0.15 0.00 0.00 55.06 55.90 3m12 s HIS 368 Cb 0.10 -2.56 0.01 0.00 1.11 0.00 0.00 32.58 31.24 3m12 s HIS 368 CO 0.61 0.17 1.27 0.34 -0.85 0.00 0.00 174.74 176.28 3m12 s ASP 369 N -2.08 6.57 -0.14 1.40 -1.08 -1.26 -4.86 116.67 115.23 3m12 s ASP 369 Ca 0.51 0.86 0.18 0.00 -0.52 0.00 0.00 52.55 53.58 3m12 s ASP 369 Cb -0.12 -2.54 0.30 0.00 -1.46 0.00 0.00 42.92 39.10 3m12 s ASP 369 CO 0.18 -1.23 1.16 2.30 0.52 0.00 0.00 175.17 178.10 3m12 n ILE 370 N 6.64 1.92 -0.32 4.11 -5.35 -1.26 -4.80 119.36 120.29 3m12 n ILE 370 Ca 0.14 -2.34 0.08 0.00 -0.27 0.00 0.00 62.75 60.37 3m12 n ILE 370 Cb 0.48 -0.24 0.25 0.00 -1.74 0.00 0.00 39.64 38.38 3m12 n ILE 370 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3m12 h SER 371 N 0.09 0.68 0.55 7.28 4.64 -1.94 -0.79 113.55 124.05 3m12 h SER 371 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3m12 h SER 371 Cb 1.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3m12 h SER 371 CO 0.00 0.30 0.00 2.30 -0.87 0.00 0.00 176.83 178.56 3m12 n ILE 372 N -4.78 0.95 -0.52 0.95 -5.35 -1.26 -2.33 119.36 107.01 3m12 n ILE 372 Ca 0.19 0.32 0.08 0.00 -0.27 0.00 0.00 62.75 63.07 3m12 n ILE 372 Cb 0.44 -1.23 0.28 0.00 -1.74 0.00 0.00 39.64 37.38 3m12 n ILE 372 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3m12 n PHE 373 N -2.07 1.04 -1.73 4.28 3.72 -0.31 -4.73 117.46 117.66 3m12 n PHE 373 Ca 0.02 -0.61 -0.42 0.00 -0.05 0.00 0.00 57.45 56.39 3m12 n PHE 373 Cb 0.18 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 3m12 n PHE 373 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3m12 n SER 374 N 0.76 3.56 0.01 4.37 2.88 -0.98 -1.81 113.62 122.40 3m12 n SER 374 Ca 0.21 1.16 0.08 0.00 -1.33 0.00 0.00 58.87 58.99 3m12 n SER 374 Cb 0.72 -1.55 0.36 0.00 -0.75 0.00 0.00 64.21 62.99 3m12 n SER 374 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3m12 n ILE 375 N 1.86 0.85 1.09 2.46 3.06 -1.26 -2.99 119.36 124.42 3m12 n ILE 375 Ca 0.08 0.21 0.12 0.00 -2.50 0.00 0.00 62.75 60.66 3m12 n ILE 375 Cb 0.36 -0.94 0.14 0.00 0.54 0.00 0.00 39.64 39.74 3m12 n ILE 375 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3m12 n ASN 376 N -1.54 2.06 -4.77 9.51 5.03 -1.26 -4.76 115.26 119.53 3m12 n ASN 376 Ca 0.04 -1.53 -0.40 0.00 0.87 0.00 0.00 54.58 53.55 3m12 n ASN 376 Cb 0.20 0.25 -0.02 0.00 -1.02 0.00 0.00 39.78 39.20 3m12 n ASN 376 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3m12 s ARG 377 N -2.32 4.26 0.34 3.52 1.70 -1.16 -4.92 118.95 120.37 3m12 s ARG 377 Ca 0.24 2.19 0.04 0.00 -0.47 0.00 0.00 55.73 57.72 3m12 s ARG 377 Cb 0.19 -2.99 0.61 0.00 -0.57 0.00 0.00 34.95 32.20 3m12 s ARG 377 CO 0.47 -0.26 1.90 -1.00 -1.08 0.00 0.00 175.30 175.33 3m12 h PRO 378 N 3.20 0.58 0.00 3.89 0.13 -1.94 -2.94 132.00 134.92 3m12 h PRO 378 Ca -0.49 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3m12 h PRO 378 Cb 1.23 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3m12 h PRO 378 CO 0.65 0.55 0.00 0.00 -0.23 0.00 0.00 178.00 178.97 3m12 n ALA 379 N -2.47 1.58 0.14 -0.56 0.00 -1.26 -2.09 120.51 115.85 3m12 n ALA 379 Ca 0.02 0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.53 3m12 n ALA 379 Cb 0.21 -1.32 0.13 0.00 0.00 0.00 0.00 19.45 18.47 3m12 n ALA 379 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3m12 h LEU 380 N 0.00 0.00 -1.08 0.00 5.85 -1.90 -3.37 115.31 114.80 3m12 h LEU 380 Ca 0.00 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.36 3m12 h LEU 380 Cb 0.29 0.00 0.14 0.00 0.37 0.00 0.00 40.66 41.46 3m12 h LEU 380 CO 0.00 0.57 -0.67 0.29 -0.34 0.00 0.00 178.44 178.29 3m12 n LYS 381 N -3.43 -7.23 -3.56 1.25 5.02 -0.89 -4.38 118.16 104.93 3m12 n LYS 381 Ca 0.00 0.79 -0.34 0.00 -2.02 0.00 0.00 58.31 56.75 3m12 n LYS 381 Cb 0.68 -5.71 -0.05 0.00 -0.02 0.00 0.00 35.03 29.93 3m12 n LYS 381 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3m12 s GLU 382 N -5.98 3.75 0.35 1.97 -6.30 -1.26 -4.45 118.70 106.77 3m12 s GLU 382 Ca 0.40 0.16 -0.09 0.00 -2.50 0.00 0.00 54.97 52.94 3m12 s GLU 382 Cb -0.18 -2.94 0.02 0.00 0.00 0.00 0.00 34.13 31.04 3m12 s GLU 382 CO 0.69 0.52 0.61 -1.54 0.02 0.00 0.00 175.26 175.56 3m12 s SER 383 N -1.92 0.41 0.02 -1.70 1.04 -0.85 -5.03 113.70 105.66 3m12 s SER 383 Ca 0.36 -1.26 -0.23 0.00 0.48 0.00 0.00 55.95 55.30 3m12 s SER 383 Cb -0.13 0.73 -0.05 0.00 0.10 0.00 0.00 66.02 66.67 3m12 s SER 383 CO 0.19 -1.44 0.70 -0.76 0.98 0.00 0.00 173.24 172.91 3m12 s LEU 384 N -3.14 4.42 0.00 2.42 1.43 -1.26 -0.87 118.68 121.68 3m12 s LEU 384 Ca 0.23 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.65 3m12 s LEU 384 Cb -0.03 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.09 3m12 s LEU 384 CO 0.15 0.03 0.45 1.67 0.23 0.00 0.00 176.35 178.88