#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9x s LYS 5503N 0.00 2.84 0.38 9.51 1.02 -1.26 -5.04 119.74 127.20 1a9x s LYS 5503Ca 0.00 -1.88 -0.22 0.00 0.02 0.00 0.00 55.97 53.89 1a9x s LYS 5503Cb 0.00 -4.14 -0.10 0.00 -0.52 0.00 0.00 37.83 33.07 1a9x s LYS 5503CO 0.00 -1.26 0.93 -1.12 -0.92 0.00 0.00 175.35 172.98 1a9x s SER 5504N 2.88 7.06 0.04 2.83 0.01 -1.26 -0.78 113.70 124.48 1a9x s SER 5504Ca 0.07 1.71 -0.13 0.00 1.31 0.00 0.00 55.95 58.91 1a9x s SER 5504Cb -0.25 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.45 1a9x s SER 5504CO -0.00 -0.25 0.29 0.00 0.41 0.00 0.00 173.24 173.69 1a9x s ALA 5505N -1.97 -0.65 -0.17 1.44 0.00 -0.75 -1.25 121.76 118.41 1a9x s ALA 5505Ca 0.57 -0.00 -0.15 0.00 0.00 0.00 0.00 51.96 52.38 1a9x s ALA 5505Cb -0.12 0.29 0.04 0.00 0.00 0.00 0.00 23.12 23.33 1a9x s ALA 5505CO 0.17 -0.39 0.44 -1.17 0.00 0.00 0.00 175.76 174.81 1a9x s LEU 5506N -1.99 0.29 -0.16 0.00 2.96 0.79 -1.24 118.68 119.32 1a9x s LEU 5506Ca -0.06 0.89 -0.01 0.00 -0.22 0.00 0.00 54.13 54.73 1a9x s LEU 5506Cb -0.01 1.50 -0.01 0.00 0.50 0.00 0.00 46.19 48.17 1a9x s LEU 5506CO -0.03 -0.16 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.51 1a9x s LEU 5507N 0.32 2.68 -0.12 -0.68 2.96 -0.11 0.02 118.68 123.75 1a9x s LEU 5507Ca -0.01 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1a9x s LEU 5507Cb -0.03 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 45.04 1a9x s LEU 5507CO -0.00 0.09 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.25 1a9x s VAL 5508N 0.82 1.66 0.20 1.68 1.01 0.27 0.12 120.40 126.16 1a9x s VAL 5508Ca -0.04 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1a9x s VAL 5508Cb -0.15 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1a9x s VAL 5508CO 0.01 0.47 0.44 -0.76 0.00 0.00 0.00 175.10 175.26 1a9x s LEU 5509N 0.95 4.19 0.48 3.92 1.43 -0.82 -0.70 118.68 128.14 1a9x s LEU 5509Ca -0.06 0.61 0.26 0.00 -1.03 0.00 0.00 54.13 53.91 1a9x s LEU 5509Cb -0.15 -3.38 1.32 0.00 0.03 0.00 0.00 46.19 44.02 1a9x s LEU 5509CO -0.02 -0.05 1.85 -0.33 0.23 0.00 0.00 176.35 178.04 1a9x h GLU 5510N 2.31 0.17 0.00 1.70 5.08 -1.65 1.18 114.58 123.37 1a9x h GLU 5510Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1a9x h GLU 5510Cb 1.18 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1a9x h GLU 5510CO 0.70 0.11 0.00 -0.40 -1.00 0.00 0.00 179.01 178.41 1a9x n ASP 5511N -4.38 0.00 0.00 1.42 5.75 -1.26 -4.89 116.55 113.19 1a9x n ASP 5511Ca 0.20 0.29 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 1a9x n ASP 5511Cb 0.90 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1a9x n ASP 5511CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a9x n GLY 5512N 0.19 0.90 3.73 6.12 0.00 0.41 -5.06 105.19 111.48 1a9x n GLY 5512Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1a9x n GLY 5512CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a9x n THR 5513N -2.00 0.61 -4.33 2.61 -1.04 -1.25 -4.73 114.28 104.15 1a9x n THR 5513Ca 0.00 -0.15 -0.32 0.00 -2.04 0.00 0.00 64.05 61.53 1a9x n THR 5513Cb 0.00 -1.92 -0.09 0.00 -1.82 0.00 0.00 70.33 66.49 1a9x n THR 5513CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1a9x s GLN 5514N 0.15 2.72 -0.20 -2.82 -0.21 -1.26 -1.95 119.66 116.09 1a9x s GLN 5514Ca 0.69 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 55.43 1a9x s GLN 5514Cb -0.52 -2.62 0.05 0.00 1.00 0.00 0.00 33.01 30.92 1a9x s GLN 5514CO 0.42 0.62 -0.05 -0.06 -2.12 0.00 0.00 175.29 174.10 1a9x s PHE 5515N -1.06 2.06 -0.27 0.91 0.40 0.32 -4.98 117.98 115.37 1a9x s PHE 5515Ca 0.19 -1.44 -0.13 0.00 -0.60 0.00 0.00 56.93 54.94 1a9x s PHE 5515Cb -0.11 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1a9x s PHE 5515CO 0.09 -0.71 0.30 -1.01 0.70 0.00 0.00 175.22 174.59 1a9x s HIS 5516N 1.51 3.25 0.00 0.36 3.76 -1.26 -0.94 115.29 121.97 1a9x s HIS 5516Ca -0.03 0.30 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 1a9x s HIS 5516Cb -0.17 -2.48 0.00 0.00 1.11 0.00 0.00 32.58 31.04 1a9x s HIS 5516CO -0.07 -0.18 0.00 0.41 -0.85 0.00 0.00 174.74 174.05 1a9x n GLY 5517N 4.77 4.65 3.55 -2.22 0.00 -0.37 -4.72 105.19 110.85 1a9x n GLY 5517Ca -0.11 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 1a9x n GLY 5517CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a9x s ARG 5518N 1.69 3.53 0.22 1.61 3.52 -0.67 -1.81 118.95 127.04 1a9x s ARG 5518Ca 0.00 -0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 54.82 1a9x s ARG 5518Cb 0.00 -2.91 -0.08 0.00 -1.56 0.00 0.00 34.95 30.40 1a9x s ARG 5518CO 0.00 0.35 1.09 0.00 -0.81 0.00 0.00 175.30 175.93 1a9x s ALA 5519N 0.08 3.38 0.00 6.12 0.00 0.04 0.18 121.76 131.56 1a9x s ALA 5519Ca 0.01 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1a9x s ALA 5519Cb -0.13 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1a9x s ALA 5519CO 0.02 -0.16 0.37 0.44 0.00 0.00 0.00 175.76 176.44 1a9x n ILE 5520N 1.87 0.13 -0.24 0.00 -5.35 -0.82 -4.88 119.36 110.07 1a9x n ILE 5520Ca 0.01 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1a9x n ILE 5520Cb 0.46 1.33 0.00 0.00 -1.74 0.00 0.00 39.64 39.68 1a9x n ILE 5520CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a9x n GLY 5521N -0.07 5.40 3.82 3.28 0.00 -1.23 -4.53 105.19 111.87 1a9x n GLY 5521Ca 0.00 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 1a9x n GLY 5521CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 5522N -2.00 2.58 0.20 4.61 0.00 0.17 -4.75 121.76 122.57 1a9x s ALA 5522Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 1a9x s ALA 5522Cb 0.00 -3.13 -0.08 0.00 0.00 0.00 0.00 23.12 19.91 1a9x s ALA 5522CO 0.00 -1.35 0.72 0.99 0.00 0.00 0.00 175.76 176.12 1a9x s THR 5523N -3.12 4.55 -3.94 0.00 2.01 -1.26 -4.46 115.64 109.41 1a9x s THR 5523Ca 0.59 1.34 0.00 0.00 0.31 0.00 0.00 61.69 63.93 1a9x s THR 5523Cb -0.14 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1a9x s THR 5523CO 0.54 0.28 0.00 0.61 -0.69 0.00 0.00 174.62 175.36 1a9x n GLY 5524N 0.92 0.83 3.10 4.40 0.00 0.59 -4.96 105.19 110.08 1a9x n GLY 5524Ca -0.03 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 1a9x n GLY 5524CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a9x s SER 5525N -4.00 0.74 -0.04 1.61 1.04 -1.26 -0.74 113.70 111.05 1a9x s SER 5525Ca 0.00 -0.84 -0.06 0.00 0.48 0.00 0.00 55.95 55.53 1a9x s SER 5525Cb 0.00 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.25 1a9x s SER 5525CO 0.00 -0.44 0.15 0.00 0.98 0.00 0.00 173.24 173.93 1a9x s ALA 5526N -2.98 -0.37 -0.05 5.32 0.00 -0.62 -4.91 121.76 118.16 1a9x s ALA 5526Ca 0.02 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.28 1a9x s ALA 5526Cb 0.01 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1a9x s ALA 5526CO -0.05 -0.11 -0.05 0.08 0.00 0.00 0.00 175.76 175.63 1a9x s VAL 5527N -0.29 0.60 -0.01 0.00 1.01 -1.26 -1.61 120.40 118.84 1a9x s VAL 5527Ca -0.04 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1a9x s VAL 5527Cb -0.03 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.76 1a9x s VAL 5527CO 0.01 0.24 0.44 0.61 0.00 0.00 0.00 175.10 176.40 1a9x n GLY 5528N 4.06 0.45 3.74 4.51 0.00 -0.63 -4.77 105.19 112.55 1a9x n GLY 5528Ca -0.24 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 1a9x n GLY 5528CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a9x s GLU 5529N -2.00 4.46 -0.14 1.61 2.12 -0.50 -0.09 118.70 124.17 1a9x s GLU 5529Ca 0.10 1.00 -0.17 0.00 0.36 0.00 0.00 54.97 56.26 1a9x s GLU 5529Cb -0.00 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1a9x s GLU 5529CO -0.00 0.24 0.44 0.08 -0.54 0.00 0.00 175.26 175.47 1a9x s VAL 5530N 0.15 5.21 0.13 3.70 1.01 0.68 -1.03 120.40 130.23 1a9x s VAL 5530Ca 0.38 0.87 0.04 0.00 0.00 0.00 0.00 61.98 63.27 1a9x s VAL 5530Cb -0.20 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1a9x s VAL 5530CO 0.21 0.32 -0.10 0.68 0.00 0.00 0.00 175.10 176.22 1a9x s VAL 5531N 0.70 1.08 -0.03 2.92 -7.23 -0.87 -4.07 120.40 112.89 1a9x s VAL 5531Ca 0.24 -1.90 0.06 0.00 -1.81 0.00 0.00 61.98 58.56 1a9x s VAL 5531Cb -0.15 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 1a9x s VAL 5531CO 0.09 -0.68 -0.20 0.72 -0.31 0.00 0.00 175.10 174.72 1a9x s PHE 5532N -3.00 2.51 -0.10 2.82 -0.12 -1.26 -0.79 117.98 118.05 1a9x s PHE 5532Ca 0.12 -0.30 0.01 0.00 -0.05 0.00 0.00 56.93 56.71 1a9x s PHE 5532Cb 0.01 -1.56 0.02 0.00 -0.63 0.00 0.00 43.02 40.86 1a9x s PHE 5532CO 0.00 0.08 -0.11 1.21 -0.05 0.00 0.00 175.22 176.35 1a9x s ASN 5533N -0.71 2.11 0.00 1.98 3.84 -0.41 -4.46 114.94 117.29 1a9x s ASN 5533Ca 0.11 -0.34 0.09 0.00 0.21 0.00 0.00 52.86 52.93 1a9x s ASN 5533Cb -0.10 -0.91 0.37 0.00 -0.55 0.00 0.00 41.25 40.06 1a9x s ASN 5533CO 0.00 -0.03 1.26 0.35 -2.79 0.00 0.00 177.10 175.88 1a9x n THR 5534N 4.38 0.15 -1.77 -5.21 -2.24 -1.01 -2.48 114.28 106.10 1a9x n THR 5534Ca -0.18 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 1a9x n THR 5534Cb 0.51 0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1a9x n THR 5534CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1a9x s SER 5535N -1.17 6.51 0.25 3.42 0.01 -1.26 -4.75 113.70 116.71 1a9x s SER 5535Ca 0.15 2.57 0.26 0.00 1.31 0.00 0.00 55.95 60.23 1a9x s SER 5535Cb 0.08 -2.54 0.73 0.00 0.21 0.00 0.00 66.02 64.49 1a9x s SER 5535CO 0.11 -1.01 1.74 0.24 0.41 0.00 0.00 173.24 174.74 1a9x h MET 5536N 9.98 0.00 -4.72 12.44 2.86 -1.98 -3.42 114.93 130.09 1a9x h MET 5536Ca -0.46 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 56.91 1a9x h MET 5536Cb 1.22 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.73 1a9x h MET 5536CO 0.94 0.00 -0.66 0.95 1.06 0.00 0.00 176.91 179.20 1a9x s THR 5537N -3.12 0.57 0.00 2.22 -4.23 -1.26 -4.96 115.64 104.86 1a9x s THR 5537Ca 0.10 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1a9x s THR 5537Cb 0.11 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.88 1a9x s THR 5537CO 0.61 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1a9x n GLY 5538N -0.20 0.65 0.36 3.99 0.00 -1.26 -4.89 105.19 103.83 1a9x n GLY 5538Ca -0.07 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1a9x n GLY 5538CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1a9x h TYR 5539N 0.00 1.06 -0.47 1.61 -0.00 -1.93 -1.63 116.97 115.61 1a9x h TYR 5539Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 58.73 58.70 1a9x h TYR 5539Cb 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 36.73 36.47 1a9x h TYR 5539CO 0.00 0.25 0.05 0.37 -0.00 0.00 0.00 178.16 178.83 1a9x h GLN 5540N 0.77 0.79 -0.74 0.10 4.15 -1.91 0.14 115.11 118.41 1a9x h GLN 5540Ca 0.57 -0.23 -0.04 0.00 0.77 0.00 0.00 58.65 59.72 1a9x h GLN 5540Cb 0.88 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.45 1a9x h GLN 5540CO -0.36 0.82 0.30 0.93 -1.93 0.00 0.00 178.83 178.59 1a9x h GLU 5541N 0.65 1.09 0.02 1.69 3.07 -1.42 -2.02 114.58 117.66 1a9x h GLU 5541Ca 0.14 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1a9x h GLU 5541Cb 0.43 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1a9x h GLU 5541CO 0.01 0.87 -0.01 0.82 -1.40 0.00 0.00 179.01 179.31 1a9x h ILE 5542N 1.07 1.11 -0.96 3.13 2.04 -1.04 -2.14 117.51 120.72 1a9x h ILE 5542Ca 0.25 -0.38 0.13 0.00 1.00 0.00 0.00 64.86 65.86 1a9x h ILE 5542Cb 0.19 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 37.55 1a9x h ILE 5542CO -0.02 0.10 0.61 -0.07 0.00 0.00 0.00 178.15 178.76 1a9x h LEU 5543N -0.18 0.83 -0.87 1.44 3.38 -0.20 -2.22 115.31 117.49 1a9x h LEU 5543Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1a9x h LEU 5543Cb 0.17 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1a9x h LEU 5543CO 0.00 0.44 0.00 0.35 0.09 0.00 0.00 178.44 179.32 1a9x n THR 5544N -4.60 0.06 -2.50 0.22 -2.24 -0.81 -1.34 114.28 103.07 1a9x n THR 5544Ca 0.18 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 1a9x n THR 5544Cb 0.39 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1a9x n THR 5544CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a9x s ASP 5545N -1.87 7.11 0.54 3.42 -1.08 -0.81 -3.51 116.67 120.47 1a9x s ASP 5545Ca 0.37 1.83 0.35 0.00 -0.52 0.00 0.00 52.55 54.58 1a9x s ASP 5545Cb 0.20 -2.57 1.52 0.00 -1.46 0.00 0.00 42.92 40.62 1a9x s ASP 5545CO 0.31 -0.50 2.02 -0.65 0.52 0.00 0.00 175.17 176.87 1a9x h PRO 5546N 7.17 0.00 -0.07 4.34 0.11 -1.89 -2.70 132.00 138.97 1a9x h PRO 5546Ca -0.37 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.76 1a9x h PRO 5546Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1a9x h PRO 5546CO 0.84 0.00 0.11 0.77 -0.21 0.00 0.00 178.00 179.51 1a9x h SER 5547N 0.00 0.00 -0.18 -2.05 0.02 -1.84 -0.30 113.55 109.20 1a9x h SER 5547Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1a9x h SER 5547Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1a9x h SER 5547CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1a9x n TYR 5548N -3.57 0.24 -1.66 3.45 4.01 -1.02 -4.13 117.16 114.48 1a9x n TYR 5548Ca -0.01 -0.12 -0.47 0.00 -0.16 0.00 0.00 57.90 57.14 1a9x n TYR 5548Cb 0.20 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 1a9x n TYR 5548CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a9x n SER 5549N 0.06 2.87 -0.08 7.72 2.88 -0.12 -1.41 113.62 125.53 1a9x n SER 5549Ca 0.10 1.09 -0.01 0.00 -1.33 0.00 0.00 58.87 58.72 1a9x n SER 5549Cb 0.20 -1.39 -0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1a9x n SER 5549CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1a9x n ARG 5550N 3.22 -0.27 -4.46 -1.46 5.12 -1.26 -4.68 116.66 112.87 1a9x n ARG 5550Ca 0.17 0.25 -0.23 0.00 -1.93 0.00 0.00 57.85 56.11 1a9x n ARG 5550Cb 0.27 -3.60 -0.13 0.00 -1.16 0.00 0.00 32.46 27.84 1a9x n ARG 5550CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1a9x s GLN 5551N -0.94 1.17 -0.36 5.56 -0.21 -0.50 -1.40 119.66 122.97 1a9x s GLN 5551Ca 0.00 -0.92 -0.12 0.00 0.02 0.00 0.00 55.36 54.33 1a9x s GLN 5551Cb 0.00 -1.27 0.01 0.00 1.00 0.00 0.00 33.01 32.74 1a9x s GLN 5551CO 0.00 0.32 0.24 0.42 -2.12 0.00 0.00 175.29 174.14 1a9x s ILE 5552N -0.90 4.99 -0.13 1.08 1.01 -0.20 -0.79 121.20 126.25 1a9x s ILE 5552Ca 0.05 -0.54 -0.16 0.00 0.00 0.00 0.00 60.65 59.99 1a9x s ILE 5552Cb -0.09 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1a9x s ILE 5552CO 0.02 -0.14 0.41 -0.69 0.00 0.00 0.00 174.94 174.53 1a9x s VAL 5553N 1.65 5.22 -0.14 2.92 1.01 -0.57 -2.05 120.40 128.44 1a9x s VAL 5553Ca 0.05 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 62.79 1a9x s VAL 5553Cb -0.18 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1a9x s VAL 5553CO 0.09 0.36 -0.01 -0.89 0.00 0.00 0.00 175.10 174.65 1a9x s THR 5554N 0.47 4.20 -0.11 3.92 2.01 0.03 0.18 115.64 126.35 1a9x s THR 5554Ca 0.22 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 1a9x s THR 5554Cb -0.14 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 1a9x s THR 5554CO 0.08 0.52 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.77 1a9x s LEU 5555N -0.05 3.49 0.11 4.42 1.43 -0.61 -1.29 118.68 126.18 1a9x s LEU 5555Ca 0.03 0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.23 1a9x s LEU 5555Cb -0.13 -1.81 -0.21 0.00 0.03 0.00 0.00 46.19 44.06 1a9x s LEU 5555CO 0.02 0.30 1.26 0.71 0.23 0.00 0.00 176.35 178.87 1a9x h THR 5556N 4.50 1.68 -2.71 5.49 1.35 -1.80 -3.42 112.91 117.99 1a9x h THR 5556Ca -0.44 -3.34 -0.55 0.00 -0.55 0.00 0.00 66.41 61.53 1a9x h THR 5556Cb 1.19 2.85 -0.01 0.00 -1.73 0.00 0.00 68.15 70.45 1a9x h THR 5556CO 0.58 0.96 1.01 -0.47 -0.25 0.00 0.00 175.52 177.35 1a9x s TYR 5557N -2.72 2.29 0.29 4.73 5.04 -1.26 -4.89 117.35 120.83 1a9x s TYR 5557Ca 0.00 0.43 0.01 0.00 -2.44 0.00 0.00 57.07 55.07 1a9x s TYR 5557Cb 0.10 -3.82 0.55 0.00 0.35 0.00 0.00 41.96 39.14 1a9x s TYR 5557CO 0.83 -3.30 1.87 -1.00 -1.34 0.00 0.00 175.55 172.61 1a9x h PRO 5558N 8.95 0.97 -4.51 4.97 0.13 -1.94 -3.40 132.00 137.17 1a9x h PRO 5558Ca -0.37 -0.06 -0.72 0.00 -0.87 0.00 0.00 66.00 63.98 1a9x h PRO 5558Cb 1.17 -0.22 -0.21 0.00 0.13 0.00 0.00 31.00 31.87 1a9x h PRO 5558CO 0.95 0.64 -0.21 -1.01 -0.23 0.00 0.00 178.00 178.14 1a9x s HIS 5559N -5.92 3.18 -0.20 1.56 3.76 -1.26 -0.24 115.29 116.17 1a9x s HIS 5559Ca -0.12 -0.81 -0.02 0.00 -0.15 0.00 0.00 55.06 53.96 1a9x s HIS 5559Cb 0.21 -3.30 -0.00 0.00 1.11 0.00 0.00 32.58 30.60 1a9x s HIS 5559CO 0.80 -0.88 -0.09 0.42 -0.85 0.00 0.00 174.74 174.14 1a9x s ILE 5560N 1.96 3.00 0.00 0.60 -1.09 -0.34 -4.48 121.20 120.85 1a9x s ILE 5560Ca 0.08 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 1a9x s ILE 5560Cb -0.23 -2.34 0.00 0.00 -1.58 0.00 0.00 42.46 38.32 1a9x s ILE 5560CO 0.08 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 1a9x n GLY 5561N 4.62 0.92 0.47 6.18 0.00 -1.26 -4.12 105.19 112.00 1a9x n GLY 5561Ca -0.19 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.13 1a9x n GLY 5561CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a9x h ASN 5562N 0.00 0.25 -0.33 1.61 4.21 -1.85 -0.19 115.58 119.29 1a9x h ASN 5562Ca 0.00 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.57 1a9x h ASN 5562Cb 0.00 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1a9x h ASN 5562CO 0.00 0.01 0.00 1.33 -1.29 0.00 0.00 177.43 177.48 1a9x n VAL 5563N -4.47 1.75 -4.92 2.81 0.24 -1.26 -0.24 118.33 112.24 1a9x n VAL 5563Ca 0.28 -1.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.11 1a9x n VAL 5563Cb 1.11 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 1a9x n VAL 5563CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 5564N 0.05 2.39 3.27 7.63 0.00 -0.08 -4.13 105.19 114.32 1a9x n GLY 5564Ca 0.18 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 1a9x n GLY 5564CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a9x s THR 5565N 0.00 0.09 -0.00 2.61 -4.23 -0.51 -4.73 115.64 108.87 1a9x s THR 5565Ca 0.00 -0.74 -0.16 0.00 -1.18 0.00 0.00 61.69 59.61 1a9x s THR 5565Cb 0.00 -1.11 0.03 0.00 1.34 0.00 0.00 72.50 72.76 1a9x s THR 5565CO 0.00 -0.41 0.35 0.54 -0.54 0.00 0.00 174.62 174.56 1a9x s ASN 5566N -2.49 -0.23 0.28 3.99 2.20 -1.26 -0.19 114.94 117.24 1a9x s ASN 5566Ca -0.00 0.08 -0.03 0.00 -0.94 0.00 0.00 52.86 51.98 1a9x s ASN 5566Cb 0.01 0.35 0.40 0.00 -2.00 0.00 0.00 41.25 40.01 1a9x s ASN 5566CO -0.08 -0.51 1.92 0.44 -2.94 0.00 0.00 177.10 175.94 1a9x h ASP 5567N 3.60 1.02 -0.01 3.54 5.19 -1.99 -2.07 116.42 125.71 1a9x h ASP 5567Ca -0.30 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1a9x h ASP 5567Cb 1.18 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 40.45 1a9x h ASP 5567CO 0.41 0.70 0.05 0.00 -3.12 0.00 0.00 179.24 177.29 1a9x h ALA 5568N 1.45 1.16 -0.51 3.45 0.00 -1.98 -1.02 119.26 121.80 1a9x h ALA 5568Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1a9x h ALA 5568Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a9x h ALA 5568CO -0.11 -0.06 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 1a9x n ASP 5569N -3.20 4.71 -4.61 0.00 8.00 -0.78 -4.86 116.55 115.82 1a9x n ASP 5569Ca -0.03 -2.64 -0.40 0.00 0.71 0.00 0.00 54.79 52.43 1a9x n ASP 5569Cb 0.12 -0.61 -0.08 0.00 -0.02 0.00 0.00 41.12 40.53 1a9x n ASP 5569CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1a9x s GLU 5570N -2.24 3.99 0.00 -1.24 2.02 -0.39 -3.27 118.70 117.57 1a9x s GLU 5570Ca 0.45 0.21 0.29 0.00 0.02 0.00 0.00 54.97 55.94 1a9x s GLU 5570Cb 0.33 -3.68 1.41 0.00 0.10 0.00 0.00 34.13 32.29 1a9x s GLU 5570CO 0.16 -0.40 1.94 0.39 0.02 0.00 0.00 175.26 177.38 1a9x n GLU 5571N 5.56 1.34 -3.76 1.61 -0.58 -1.26 -4.87 120.64 118.69 1a9x n GLU 5571Ca -0.05 -0.50 -0.02 0.00 -0.42 0.00 0.00 57.16 56.18 1a9x n GLU 5571Cb 0.50 -1.47 -0.00 0.00 -0.57 0.00 0.00 31.44 29.89 1a9x n GLU 5571CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1a9x s SER 5572N -1.95 -0.09 0.49 1.62 1.04 -1.23 -1.65 113.70 111.93 1a9x s SER 5572Ca 0.41 -0.37 0.27 0.00 0.48 0.00 0.00 55.95 56.74 1a9x s SER 5572Cb 0.21 0.38 1.34 0.00 0.10 0.00 0.00 66.02 68.05 1a9x s SER 5572CO 0.34 -0.71 1.87 0.77 0.98 0.00 0.00 173.24 176.49 1a9x h SER 5573N 2.00 0.15 -5.52 7.02 4.64 -1.91 -3.45 113.55 116.48 1a9x h SER 5573Ca -0.27 0.02 -0.28 0.00 -0.47 0.00 0.00 61.79 60.79 1a9x h SER 5573Cb 1.22 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 63.22 1a9x h SER 5573CO 0.29 0.05 -0.17 0.00 -0.87 0.00 0.00 176.83 176.13 1a9x s GLN 5574N -5.14 1.95 -0.34 4.77 -2.07 -1.26 -5.12 119.66 112.45 1a9x s GLN 5574Ca -0.06 -1.78 -0.28 0.00 -1.82 0.00 0.00 55.36 51.42 1a9x s GLN 5574Cb 0.22 0.45 0.02 0.00 -1.09 0.00 0.00 33.01 32.61 1a9x s GLN 5574CO 0.78 -0.81 1.02 0.08 -1.32 0.00 0.00 175.29 175.03 1a9x s VAL 5575N -2.97 4.53 -0.11 3.63 1.01 -1.26 -4.32 120.40 120.91 1a9x s VAL 5575Ca 0.30 1.51 0.17 0.00 0.00 0.00 0.00 61.98 63.96 1a9x s VAL 5575Cb -0.01 -4.39 -0.18 0.00 0.00 0.00 0.00 36.38 31.81 1a9x s VAL 5575CO 0.21 -0.52 0.67 1.41 0.00 0.00 0.00 175.10 176.88 1a9x n HIS 5576N 6.86 0.79 -1.66 5.22 -0.00 -0.45 -4.90 115.22 121.08 1a9x n HIS 5576Ca 0.10 0.27 -0.45 0.00 -0.00 0.00 0.00 57.72 57.64 1a9x n HIS 5576Cb 0.48 -1.05 -0.02 0.00 -0.00 0.00 0.00 29.99 29.39 1a9x n HIS 5576CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1a9x n ALA 5577N -2.46 0.87 0.40 -1.41 0.00 -0.98 -3.87 120.51 113.06 1a9x n ALA 5577Ca -0.14 0.41 0.12 0.00 0.00 0.00 0.00 53.44 53.83 1a9x n ALA 5577Cb 0.90 -2.23 0.18 0.00 0.00 0.00 0.00 19.45 18.30 1a9x n ALA 5577CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1a9x h GLN 5578N 3.74 0.00 -2.30 0.00 5.75 -1.13 -3.48 115.11 117.69 1a9x h GLN 5578Ca -0.45 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.17 1a9x h GLN 5578Cb 1.29 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.70 1a9x h GLN 5578CO 0.72 0.00 0.49 0.20 -2.65 0.00 0.00 178.83 177.59 1a9x s GLY 5579N -3.92 -0.44 -0.02 2.39 0.00 -1.24 -4.42 107.32 99.68 1a9x s GLY 5579Ca 0.06 0.88 0.04 0.00 0.00 0.00 0.00 44.72 45.70 1a9x s GLY 5579CO 0.70 0.29 -0.12 -2.27 0.00 0.00 0.00 173.10 171.69 1a9x s LEU 5580N -2.55 1.97 -0.18 0.66 2.96 -1.08 -1.51 118.68 118.95 1a9x s LEU 5580Ca 0.06 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1a9x s LEU 5580Cb -0.01 -0.66 0.04 0.00 0.50 0.00 0.00 46.19 46.06 1a9x s LEU 5580CO -0.08 0.14 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.32 1a9x s VAL 5581N -0.17 1.37 0.12 1.68 1.01 0.13 -1.18 120.40 123.37 1a9x s VAL 5581Ca 0.02 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1a9x s VAL 5581Cb -0.06 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1a9x s VAL 5581CO -0.00 0.18 -0.04 0.27 0.00 0.00 0.00 175.10 175.50 1a9x s ILE 5582N 1.52 0.69 -0.13 2.22 -4.36 -0.84 -1.57 121.20 118.73 1a9x s ILE 5582Ca 0.00 -1.96 -0.23 0.00 -0.26 0.00 0.00 60.65 58.20 1a9x s ILE 5582Cb -0.15 -1.84 -0.26 0.00 1.25 0.00 0.00 42.46 41.46 1a9x s ILE 5582CO -0.08 -0.73 0.62 -0.09 0.24 0.00 0.00 174.94 174.90 1a9x h ARG 5583N 2.87 0.10 -3.50 0.37 9.65 -1.74 -2.08 114.38 120.05 1a9x h ARG 5583Ca -0.36 -0.17 -0.28 0.00 -1.10 0.00 0.00 59.98 58.07 1a9x h ARG 5583Cb 1.18 0.06 -0.33 0.00 -1.39 0.00 0.00 29.97 29.50 1a9x h ARG 5583CO 0.64 1.08 -0.71 0.34 2.80 0.00 0.00 179.97 184.12 1a9x s ASP 5584N -6.66 0.03 -0.39 -3.80 2.15 0.67 -0.31 116.67 108.36 1a9x s ASP 5584Ca -0.21 0.08 -0.14 0.00 0.43 0.00 0.00 52.55 52.71 1a9x s ASP 5584Cb 0.01 -0.02 0.02 0.00 -0.30 0.00 0.00 42.92 42.63 1a9x s ASP 5584CO 0.71 -0.12 0.27 -0.22 -0.17 0.00 0.00 175.17 175.64 1a9x s LEU 5585N 0.95 4.94 0.91 -1.34 2.96 -1.26 -1.20 118.68 124.64 1a9x s LEU 5585Ca -0.08 -0.86 -0.10 0.00 -0.22 0.00 0.00 54.13 52.87 1a9x s LEU 5585Cb -0.11 -2.12 0.14 0.00 0.50 0.00 0.00 46.19 44.60 1a9x s LEU 5585CO -0.03 -0.41 1.12 -2.16 -1.32 0.00 0.00 176.35 173.55 1a9x s PRO 5586N 1.65 1.10 0.17 0.98 0.04 -1.26 -4.95 135.00 132.74 1a9x s PRO 5586Ca 0.04 1.35 -0.15 0.00 0.04 0.00 0.00 61.00 62.29 1a9x s PRO 5586Cb -0.19 -1.75 0.12 0.00 0.04 0.00 0.00 34.50 32.72 1a9x s PRO 5586CO 0.09 -2.51 1.74 -0.07 0.04 0.00 0.00 177.00 176.29 1a9x h LEU 5587N -1.77 0.10 -8.56 -3.56 4.07 -1.98 -3.44 115.31 100.18 1a9x h LEU 5587Ca -0.45 0.06 -0.24 0.00 0.08 0.00 0.00 57.88 57.32 1a9x h LEU 5587Cb 1.27 0.06 -0.15 0.00 1.08 0.00 0.00 40.66 42.92 1a9x h LEU 5587CO 0.45 0.09 -0.66 0.27 -1.08 0.00 0.00 178.44 177.52 1a9x s ILE 5588N -6.15 0.42 0.07 1.22 -4.36 -1.26 -5.14 121.20 106.00 1a9x s ILE 5588Ca -0.13 -1.95 -0.08 0.00 -0.26 0.00 0.00 60.65 58.23 1a9x s ILE 5588Cb 0.13 -2.09 -0.05 0.00 1.25 0.00 0.00 42.46 41.70 1a9x s ILE 5588CO 0.72 -0.47 0.36 0.00 0.24 0.00 0.00 174.94 175.79 1a9x s ALA 5589N -3.83 3.77 -0.42 2.27 0.00 -1.26 -4.72 121.76 117.57 1a9x s ALA 5589Ca 0.24 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.80 1a9x s ALA 5589Cb 0.07 -2.19 0.20 0.00 0.00 0.00 0.00 23.12 21.19 1a9x s ALA 5589CO 0.03 0.60 0.42 0.45 0.00 0.00 0.00 175.76 177.26 1a9x n SER 5590N 0.87 -0.07 -3.65 0.00 2.88 0.67 -4.88 113.62 109.44 1a9x n SER 5590Ca -0.08 -2.53 -0.14 0.00 -1.33 0.00 0.00 58.87 54.79 1a9x n SER 5590Cb 0.52 -0.59 -0.08 0.00 -0.75 0.00 0.00 64.21 63.32 1a9x n SER 5590CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1a9x s ASN 5591N -0.48 -0.70 0.51 -3.46 3.84 -1.26 -4.78 114.94 108.62 1a9x s ASN 5591Ca 0.34 1.34 0.26 0.00 0.21 0.00 0.00 52.86 55.01 1a9x s ASN 5591Cb 0.09 1.35 1.36 0.00 -0.55 0.00 0.00 41.25 43.50 1a9x s ASN 5591CO -0.16 -0.23 1.93 2.19 -2.79 0.00 0.00 177.10 178.03 1a9x h PHE 5592N 5.13 0.11 0.00 0.43 -0.00 -1.98 0.10 116.94 120.73 1a9x h PHE 5592Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.69 1a9x h PHE 5592Cb 1.17 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 37.08 1a9x h PHE 5592CO 0.38 0.03 -0.02 0.54 -0.00 0.00 0.00 178.31 179.25 1a9x n ARG 5593N -4.36 0.19 -1.98 6.09 1.74 -1.26 -4.89 116.66 112.19 1a9x n ARG 5593Ca 0.15 0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.97 1a9x n ARG 5593Cb 0.76 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 1a9x n ARG 5593CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a9x s ASN 5594N -4.10 6.60 0.00 0.55 2.47 0.35 -4.55 114.94 116.25 1a9x s ASN 5594Ca 0.11 2.77 0.00 0.00 0.42 0.00 0.00 52.86 56.17 1a9x s ASN 5594Cb 0.14 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 1a9x s ASN 5594CO 0.58 -0.71 0.11 0.35 -3.72 0.00 0.00 177.10 173.71 1a9x n THR 5595N 1.57 0.00 -3.65 -5.21 -2.24 0.74 -4.93 114.28 100.57 1a9x n THR 5595Ca 0.04 -0.41 -0.02 0.00 -2.27 0.00 0.00 64.05 61.39 1a9x n THR 5595Cb 0.40 1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 69.61 1a9x n THR 5595CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1a9x s GLU 5596N -0.61 0.28 0.65 -0.78 2.12 -1.13 -4.98 118.70 114.26 1a9x s GLU 5596Ca 0.00 0.46 -0.17 0.00 0.36 0.00 0.00 54.97 55.62 1a9x s GLU 5596Cb 0.00 0.07 -0.00 0.00 0.26 0.00 0.00 34.13 34.46 1a9x s GLU 5596CO 0.00 -0.05 1.21 0.16 -0.54 0.00 0.00 175.26 176.03 1a9x s ASP 5597N 1.06 4.78 0.15 -1.70 1.47 -1.26 -1.43 116.67 119.74 1a9x s ASP 5597Ca -0.06 2.37 -0.26 0.00 1.18 0.00 0.00 52.55 55.77 1a9x s ASP 5597Cb -0.03 -2.59 0.00 0.00 -0.34 0.00 0.00 42.92 39.95 1a9x s ASP 5597CO -0.13 -1.87 1.59 0.25 0.68 0.00 0.00 175.17 175.70 1a9x h LEU 5598N 0.37 -1.17 -0.33 2.11 5.85 -1.84 0.84 115.31 121.13 1a9x h LEU 5598Ca -0.49 0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.48 1a9x h LEU 5598Cb 1.30 0.51 -0.07 0.00 0.37 0.00 0.00 40.66 42.77 1a9x h LEU 5598CO 0.53 -0.36 -0.10 -1.28 -0.34 0.00 0.00 178.44 176.88 1a9x h SER 5599N -0.36 -0.37 -0.42 1.25 0.87 -1.92 0.67 113.55 113.27 1a9x h SER 5599Ca 0.12 0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.85 1a9x h SER 5599Cb 0.57 0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 62.71 1a9x h SER 5599CO -0.46 -0.14 0.13 0.28 -0.53 0.00 0.00 176.83 176.11 1a9x h SER 5600N -0.03 0.12 -0.70 6.23 0.02 -1.71 -0.52 113.55 116.96 1a9x h SER 5600Ca 0.16 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1a9x h SER 5600Cb 0.28 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1a9x h SER 5600CO -0.36 0.10 0.45 0.22 -1.14 0.00 0.00 176.83 176.10 1a9x h TYR 5601N 0.29 0.85 -0.30 3.45 3.20 0.11 0.15 116.97 124.72 1a9x h TYR 5601Ca 0.20 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1a9x h TYR 5601Cb 0.20 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1a9x h TYR 5601CO -0.16 0.51 0.10 -0.07 -1.64 0.00 0.00 178.16 176.90 1a9x h LEU 5602N 0.90 0.43 -0.37 2.82 3.38 -0.15 -0.80 115.31 121.52 1a9x h LEU 5602Ca 0.27 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1a9x h LEU 5602Cb -0.05 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1a9x h LEU 5602CO -0.08 0.51 0.10 0.11 0.09 0.00 0.00 178.44 179.17 1a9x h LYS 5603N 0.32 0.24 -0.57 1.13 1.57 -0.89 -0.67 116.57 117.71 1a9x h LYS 5603Ca 0.10 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.98 1a9x h LYS 5603Cb 0.23 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.39 1a9x h LYS 5603CO -0.00 0.16 -0.02 -0.09 -0.57 0.00 0.00 179.45 178.92 1a9x h ARG 5604N 0.24 0.10 -0.20 3.15 2.43 -0.22 -0.82 114.38 119.06 1a9x h ARG 5604Ca 0.17 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1a9x h ARG 5604Cb 0.17 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1a9x h ARG 5604CO -0.20 0.06 0.00 0.72 -1.51 0.00 0.00 179.97 179.05 1a9x n HIS 5605N -5.28 0.26 -3.93 2.20 8.25 -0.35 -4.93 115.22 111.44 1a9x n HIS 5605Ca 0.07 -0.13 -0.27 0.00 -0.26 0.00 0.00 57.72 57.13 1a9x n HIS 5605Cb 0.32 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.43 1a9x n HIS 5605CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a9x n ASN 5606N 0.12 -1.80 -4.75 0.41 5.03 -0.31 -4.96 115.26 108.99 1a9x n ASN 5606Ca 0.10 -0.92 -0.35 0.00 0.87 0.00 0.00 54.58 54.27 1a9x n ASN 5606Cb 0.21 -3.39 -0.08 0.00 -1.02 0.00 0.00 39.78 35.50 1a9x n ASN 5606CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a9x s ILE 5607N -3.67 5.33 -0.03 2.41 -1.09 -0.52 -4.81 121.20 118.82 1a9x s ILE 5607Ca 0.24 0.16 -0.26 0.00 -2.23 0.00 0.00 60.65 58.56 1a9x s ILE 5607Cb -0.13 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1a9x s ILE 5607CO 0.87 0.49 0.79 -0.69 -1.23 0.00 0.00 174.94 175.17 1a9x s VAL 5608N 0.00 4.94 -0.01 2.92 1.01 -1.26 0.41 120.40 128.42 1a9x s VAL 5608Ca 0.09 1.66 -0.10 0.00 0.00 0.00 0.00 61.98 63.63 1a9x s VAL 5608Cb -0.11 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1a9x s VAL 5608CO -0.00 0.24 0.20 0.00 0.00 0.00 0.00 175.10 175.54 1a9x s ALA 5609N 0.72 -0.49 0.05 5.51 0.00 -1.26 -2.62 121.76 123.67 1a9x s ALA 5609Ca 0.42 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.49 1a9x s ALA 5609Cb -0.19 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1a9x s ALA 5609CO 0.22 -0.22 -0.14 -1.50 0.00 0.00 0.00 175.76 174.12 1a9x s ILE 5610N -1.28 1.06 0.41 0.00 2.07 -0.32 -1.95 121.20 121.20 1a9x s ILE 5610Ca -0.13 -1.14 0.03 0.00 -1.41 0.00 0.00 60.65 58.00 1a9x s ILE 5610Cb -0.06 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.49 1a9x s ILE 5610CO 0.02 -0.13 0.10 0.00 -1.91 0.00 0.00 174.94 173.02 1a9x s ALA 5611N -1.08 3.05 -1.03 1.50 0.00 0.13 -1.99 121.76 122.33 1a9x s ALA 5611Ca -0.01 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 50.72 1a9x s ALA 5611Cb -0.09 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1a9x s ALA 5611CO 0.02 -0.28 0.02 -0.25 0.00 0.00 0.00 175.76 175.27 1a9x n ASP 5612N -1.21 -3.87 -4.56 0.00 8.00 0.57 -1.68 116.55 113.80 1a9x n ASP 5612Ca -0.08 -0.02 -0.24 0.00 0.71 0.00 0.00 54.79 55.17 1a9x n ASP 5612Cb 0.66 -3.07 -0.09 0.00 -0.02 0.00 0.00 41.12 38.60 1a9x n ASP 5612CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1a9x s ILE 5613N -2.62 2.99 -1.18 0.53 -5.25 -1.21 -4.70 121.20 109.76 1a9x s ILE 5613Ca 0.01 -2.13 -0.21 0.00 -0.99 0.00 0.00 60.65 57.33 1a9x s ILE 5613Cb -0.00 -2.58 0.00 0.00 2.95 0.00 0.00 42.46 42.83 1a9x s ILE 5613CO 0.01 -0.37 1.78 -0.62 -1.79 0.00 0.00 174.94 173.95 1a9x s ASP 5614N -3.55 6.03 0.52 4.36 -1.08 -1.26 -4.24 116.67 117.44 1a9x s ASP 5614Ca 0.30 -1.87 0.16 0.00 -0.52 0.00 0.00 52.55 50.62 1a9x s ASP 5614Cb -0.06 -2.58 1.26 0.00 -1.46 0.00 0.00 42.92 40.08 1a9x s ASP 5614CO 0.17 -2.00 2.14 0.71 0.52 0.00 0.00 175.17 176.72 1a9x h THR 5615N 6.12 1.00 -0.51 1.71 1.35 -1.92 -2.33 112.91 118.33 1a9x h THR 5615Ca 0.30 -0.01 -0.10 0.00 -0.55 0.00 0.00 66.41 66.06 1a9x h THR 5615Cb 0.93 0.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 1a9x h THR 5615CO 1.35 0.00 -0.05 -0.09 -0.25 0.00 0.00 175.52 176.48 1a9x h ARG 5616N 0.02 0.94 -0.90 4.72 2.43 -1.90 -0.78 114.38 118.92 1a9x h ARG 5616Ca 0.01 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 1a9x h ARG 5616Cb 0.01 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1a9x h ARG 5616CO -0.00 0.99 0.49 -0.22 -1.51 0.00 0.00 179.97 179.72 1a9x h LYS 5617N 0.81 1.25 -0.41 0.20 3.64 -1.83 -1.09 116.57 119.14 1a9x h LYS 5617Ca 0.14 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1a9x h LYS 5617Cb 0.60 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1a9x h LYS 5617CO 0.04 0.92 -0.15 1.25 -2.27 0.00 0.00 179.45 179.23 1a9x h LEU 5618N 1.26 0.84 -0.40 5.20 5.85 -1.13 -2.69 115.31 124.23 1a9x h LEU 5618Ca 0.32 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1a9x h LEU 5618Cb 0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1a9x h LEU 5618CO -0.05 1.03 0.15 0.74 -0.34 0.00 0.00 178.44 179.98 1a9x h THR 5619N 0.64 1.20 -0.82 1.05 2.02 -0.88 -1.17 112.91 114.94 1a9x h THR 5619Ca 0.10 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.68 1a9x h THR 5619Cb 0.70 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1a9x h THR 5619CO 0.05 0.22 0.54 0.03 0.37 0.00 0.00 175.52 176.74 1a9x h ARG 5620N 0.50 1.03 -0.25 6.66 3.08 -1.18 -0.48 114.38 123.74 1a9x h ARG 5620Ca 0.13 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 59.93 1a9x h ARG 5620Cb 0.20 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1a9x h ARG 5620CO -0.01 0.68 -0.59 1.25 -1.07 0.00 0.00 179.97 180.23 1a9x h LEU 5621N 1.07 0.95 -0.59 3.04 5.85 -1.10 -0.55 115.31 123.98 1a9x h LEU 5621Ca 0.31 -0.56 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1a9x h LEU 5621Cb -0.04 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 1a9x h LEU 5621CO -0.08 1.34 0.24 -0.07 -0.34 0.00 0.00 178.44 179.53 1a9x h LEU 5622N 0.60 0.81 0.08 2.25 3.38 -0.89 0.18 115.31 121.72 1a9x h LEU 5622Ca -0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1a9x h LEU 5622Cb 1.21 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1a9x h LEU 5622CO 0.13 0.76 -0.04 -0.09 0.09 0.00 0.00 178.44 179.29 1a9x h ARG 5623N 0.82 -0.11 -0.26 1.13 2.43 -1.03 0.40 114.38 117.76 1a9x h ARG 5623Ca 0.20 0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.19 1a9x h ARG 5623Cb 0.20 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1a9x h ARG 5623CO -0.02 0.13 -0.58 0.93 -1.51 0.00 0.00 179.97 178.93 1a9x h GLU 5624N -0.34 0.83 -0.01 0.20 4.39 -0.98 -3.34 114.58 115.33 1a9x h GLU 5624Ca -0.01 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.14 1a9x h GLU 5624Cb 0.29 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1a9x h GLU 5624CO 0.02 1.17 -0.61 1.63 -1.16 0.00 0.00 179.01 180.06 1a9x n LYS 5625N -3.99 1.24 0.00 2.33 5.02 0.61 -5.09 118.16 118.28 1a9x n LYS 5625Ca -0.05 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.75 1a9x n LYS 5625Cb 0.64 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 1a9x n LYS 5625CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a9x n GLY 5626N 1.35 -1.02 3.45 0.72 0.00 0.14 -4.95 105.19 104.88 1a9x n GLY 5626Ca 0.06 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 1a9x n GLY 5626CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x n ALA 5627N -1.24 -1.68 -3.15 4.61 0.00 0.52 -4.62 120.51 114.95 1a9x n ALA 5627Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 1a9x n ALA 5627Cb 0.00 -1.82 -0.08 0.00 0.00 0.00 0.00 19.45 17.55 1a9x n ALA 5627CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1a9x s GLN 5628N -2.68 0.68 0.49 0.00 -0.21 -1.26 -5.04 119.66 111.64 1a9x s GLN 5628Ca 0.64 -0.31 -0.08 0.00 0.02 0.00 0.00 55.36 55.64 1a9x s GLN 5628Cb -0.35 0.30 -0.04 0.00 1.00 0.00 0.00 33.01 33.92 1a9x s GLN 5628CO 0.59 -0.19 0.83 -0.80 -2.12 0.00 0.00 175.29 173.60 1a9x s ASN 5629N -1.54 6.33 0.33 5.90 0.01 -1.26 -0.23 114.94 124.47 1a9x s ASN 5629Ca -0.11 1.08 -0.16 0.00 -0.71 0.00 0.00 52.86 52.96 1a9x s ASN 5629Cb -0.04 -2.31 0.03 0.00 0.41 0.00 0.00 41.25 39.34 1a9x s ASN 5629CO 0.02 -0.59 0.71 -0.83 -1.51 0.00 0.00 177.10 174.89 1a9x s GLY 5630N -3.88 0.30 -0.04 0.66 0.00 0.87 -1.75 107.32 103.48 1a9x s GLY 5630Ca 0.50 -0.66 -0.02 0.00 0.00 0.00 0.00 44.72 44.54 1a9x s GLY 5630CO 0.43 -0.31 0.08 0.00 0.00 0.00 0.00 173.10 173.30 1a9x s ILE 5632N 0.54 3.87 -0.14 0.00 1.01 -0.63 -0.57 121.20 125.28 1a9x s ILE 5632Ca -0.04 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1a9x s ILE 5632Cb -0.06 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.71 1a9x s ILE 5632CO -0.02 0.47 -0.20 -0.63 0.00 0.00 0.00 174.94 174.56 1a9x s ILE 5633N 0.56 1.95 -0.14 2.92 1.01 0.10 -1.58 121.20 126.02 1a9x s ILE 5633Ca -0.02 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1a9x s ILE 5633Cb -0.14 -1.74 0.02 0.00 0.01 0.00 0.00 42.46 40.61 1a9x s ILE 5633CO 0.02 0.53 -0.18 0.00 0.00 0.00 0.00 174.94 175.31 1a9x s ALA 5634N 0.90 2.03 0.00 9.38 0.00 0.08 -0.15 121.76 133.99 1a9x s ALA 5634Ca -0.06 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1a9x s ALA 5634Cb -0.15 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1a9x s ALA 5634CO -0.03 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1a9x n GLY 5635N 4.39 -1.45 0.44 0.00 0.00 -0.38 -0.30 105.19 107.89 1a9x n GLY 5635Ca -0.19 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.67 1a9x n GLY 5635CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a9x h ASP 5636N 0.00 -1.56 -3.02 1.61 3.32 -1.96 -3.36 116.42 111.44 1a9x h ASP 5636Ca 0.00 0.18 -0.58 0.00 0.02 0.00 0.00 57.03 56.65 1a9x h ASP 5636Cb 0.00 0.60 -0.40 0.00 0.22 0.00 0.00 39.33 39.75 1a9x h ASP 5636CO 0.00 -0.48 -0.78 0.20 -1.72 0.00 0.00 179.24 176.46 1a9x s ASN 5637N -4.61 3.54 0.10 6.45 0.02 -1.26 -4.72 114.94 114.45 1a9x s ASN 5637Ca -0.15 -2.00 -0.31 0.00 -1.02 0.00 0.00 52.86 49.38 1a9x s ASN 5637Cb 0.06 -0.69 -0.08 0.00 0.02 0.00 0.00 41.25 40.56 1a9x s ASN 5637CO 0.57 -0.35 1.52 -2.84 0.02 0.00 0.00 177.10 176.02 1a9x s PRO 5638N 1.21 4.25 -0.62 -0.60 0.02 -1.26 -4.96 135.00 133.04 1a9x s PRO 5638Ca 0.14 2.22 -0.24 0.00 0.02 0.00 0.00 61.00 63.13 1a9x s PRO 5638Cb -0.21 -3.38 0.05 0.00 0.02 0.00 0.00 34.50 30.98 1a9x s PRO 5638CO -0.13 -0.60 1.03 0.34 -0.33 0.00 0.00 177.00 177.31 1a9x s ASP 5639N 1.63 6.27 0.21 2.53 2.15 -1.26 -4.93 116.67 123.27 1a9x s ASP 5639Ca 0.69 -0.51 -0.10 0.00 0.43 0.00 0.00 52.55 53.06 1a9x s ASP 5639Cb -0.39 -2.46 0.22 0.00 -0.30 0.00 0.00 42.92 39.99 1a9x s ASP 5639CO 0.31 -1.41 1.82 0.00 -0.17 0.00 0.00 175.17 175.71 1a9x h ALA 5640N 9.52 0.88 -0.53 3.66 0.00 -1.99 0.21 119.26 131.01 1a9x h ALA 5640Ca -0.27 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1a9x h ALA 5640Cb 1.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1a9x h ALA 5640CO 1.16 0.08 0.25 0.00 0.00 0.00 0.00 179.25 180.74 1a9x h ALA 5641N 1.33 1.45 -0.31 0.00 0.00 -1.99 0.26 119.26 120.00 1a9x h ALA 5641Ca 0.29 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1a9x h ALA 5641Cb 0.13 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1a9x h ALA 5641CO -0.16 0.44 -0.50 1.25 0.00 0.00 0.00 179.25 180.27 1a9x h LEU 5642N 0.74 0.95 -0.49 0.00 5.85 -1.55 -1.79 115.31 119.02 1a9x h LEU 5642Ca 0.19 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1a9x h LEU 5642Cb 0.08 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1a9x h LEU 5642CO -0.02 1.28 0.24 0.00 -0.34 0.00 0.00 178.44 179.59 1a9x h ALA 5643N 0.74 0.63 -0.55 1.25 0.00 0.10 -1.84 119.26 119.60 1a9x h ALA 5643Ca 0.03 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1a9x h ALA 5643Cb 1.10 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1a9x h ALA 5643CO 0.11 0.20 0.28 1.25 0.00 0.00 0.00 179.25 181.09 1a9x h LEU 5644N 0.65 0.41 -0.81 0.00 5.85 -0.31 -0.62 115.31 120.47 1a9x h LEU 5644Ca 0.17 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 1a9x h LEU 5644Cb 0.12 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1a9x h LEU 5644CO -0.02 0.28 0.11 1.05 -0.34 0.00 0.00 178.44 179.51 1a9x h GLU 5645N 0.54 1.00 -0.59 1.25 4.11 -1.01 -0.49 114.58 119.40 1a9x h GLU 5645Ca 0.24 -0.25 -0.08 0.00 0.07 0.00 0.00 59.36 59.34 1a9x h GLU 5645Cb 0.15 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1a9x h GLU 5645CO -0.17 0.92 0.04 0.87 0.07 0.00 0.00 179.01 180.74 1a9x h LYS 5646N 0.94 1.01 -0.58 1.06 1.57 -0.78 -0.96 116.57 118.83 1a9x h LYS 5646Ca 0.19 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1a9x h LYS 5646Cb 0.40 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1a9x h LYS 5646CO 0.01 0.98 0.10 0.00 -0.57 0.00 0.00 179.45 179.97 1a9x h ALA 5647N 0.99 1.08 -0.04 3.86 0.00 -0.72 -2.54 119.26 121.88 1a9x h ALA 5647Ca 0.17 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1a9x h ALA 5647Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1a9x h ALA 5647CO 0.02 0.60 -0.50 0.00 0.00 0.00 0.00 179.25 179.37 1a9x h ARG 5648N 0.88 0.11 0.00 0.00 3.08 -0.56 -3.03 114.38 114.86 1a9x h ARG 5648Ca 0.18 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1a9x h ARG 5648Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1a9x h ARG 5648CO 0.01 0.59 -0.26 0.00 -1.07 0.00 0.00 179.97 179.23 1a9x n ALA 5649N -2.46 2.70 -1.83 0.04 0.00 -0.41 -4.81 120.51 113.74 1a9x n ALA 5649Ca -0.02 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 1a9x n ALA 5649Cb 0.53 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 1a9x n ALA 5649CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1a9x s PHE 5650N -3.07 2.95 0.11 0.00 5.36 -0.97 -4.90 117.98 117.45 1a9x s PHE 5650Ca 0.10 0.60 0.34 0.00 -0.96 0.00 0.00 56.93 57.02 1a9x s PHE 5650Cb 0.15 -4.01 1.47 0.00 -0.34 0.00 0.00 43.02 40.29 1a9x s PHE 5650CO 0.63 -3.67 2.00 -1.00 -1.46 0.00 0.00 175.22 171.73 1a9x h PRO 5651N 6.25 0.00 0.00 10.12 0.13 -1.90 -3.49 132.00 143.11 1a9x h PRO 5651Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1a9x h PRO 5651Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1a9x h PRO 5651CO 0.89 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 1a9x n GLY 5652N -0.14 1.15 0.16 1.56 0.00 -1.26 -4.81 105.19 101.86 1a9x n GLY 5652Ca 0.00 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.48 1a9x n GLY 5652CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a9x h LEU 5653N 0.00 0.00 -9.40 0.99 4.07 -1.95 -3.42 115.31 105.61 1a9x h LEU 5653Ca 0.00 -0.02 -0.54 0.00 0.08 0.00 0.00 57.88 57.40 1a9x h LEU 5653Cb 0.00 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.75 1a9x h LEU 5653CO 0.00 0.01 0.92 0.21 -1.08 0.00 0.00 178.44 178.50 1a9x s ASN 5654N -5.56 6.74 0.00 -0.43 3.04 -1.26 -0.77 114.94 116.71 1a9x s ASN 5654Ca 0.05 2.27 0.00 0.00 0.04 0.00 0.00 52.86 55.22 1a9x s ASN 5654Cb 0.08 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 37.23 1a9x s ASN 5654CO 0.70 -0.80 0.00 0.61 -3.04 0.00 0.00 177.10 174.56 1a9x n GLY 5655N 3.82 0.78 3.47 1.21 0.00 -1.26 -5.01 105.19 108.19 1a9x n GLY 5655Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1a9x n GLY 5655CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1a9x s MET 5656N -0.43 3.17 -0.57 1.61 0.00 0.06 -4.84 119.30 118.29 1a9x s MET 5656Ca 0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 55.69 54.55 1a9x s MET 5656Cb 0.00 -3.83 0.03 0.00 0.00 0.00 0.00 34.83 31.03 1a9x s MET 5656CO 0.00 -0.60 1.11 0.34 0.00 0.00 0.00 175.02 175.88 1a9x s ASP 5657N 1.67 6.41 -0.00 1.11 -1.08 -1.26 0.15 116.67 123.67 1a9x s ASP 5657Ca 0.05 -0.04 0.14 0.00 -0.52 0.00 0.00 52.55 52.18 1a9x s ASP 5657Cb -0.18 -2.52 -0.17 0.00 -1.46 0.00 0.00 42.92 38.60 1a9x s ASP 5657CO 0.09 -1.40 0.57 0.18 0.52 0.00 0.00 175.17 175.13 1a9x n LEU 5658N 8.14 0.58 -0.26 -1.34 4.77 -1.26 -4.45 117.00 123.18 1a9x n LEU 5658Ca 0.06 -0.43 -0.01 0.00 -0.03 0.00 0.00 56.01 55.61 1a9x n LEU 5658Cb 0.49 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.69 1a9x n LEU 5658CO 0.69 0.14 1.13 0.00 -1.33 0.00 0.00 177.39 178.03 1a9x h ALA 5659N 1.93 1.00 0.00 -1.18 0.00 -1.78 0.26 119.26 119.50 1a9x h ALA 5659Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1a9x h ALA 5659Cb 0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a9x h ALA 5659CO 0.00 0.14 -0.09 1.57 0.00 0.00 0.00 179.25 180.87 1a9x h LYS 5660N 0.80 0.00 0.00 0.00 2.10 -1.88 -1.40 116.57 116.18 1a9x h LYS 5660Ca 0.33 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1a9x h LYS 5660Cb 0.18 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.51 1a9x h LYS 5660CO -0.18 0.09 -0.23 0.93 -2.00 0.00 0.00 179.45 178.07 1a9x h GLU 5661N 0.00 0.00 -0.05 0.07 4.39 -0.72 -3.36 114.58 114.91 1a9x h GLU 5661Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1a9x h GLU 5661Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1a9x h GLU 5661CO 0.01 0.01 0.00 1.33 -1.16 0.00 0.00 179.01 179.20 1a9x n VAL 5662N -3.01 0.25 -1.81 3.13 0.24 -0.75 -5.05 118.33 111.33 1a9x n VAL 5662Ca 0.03 -0.62 -0.31 0.00 -2.04 0.00 0.00 64.34 61.39 1a9x n VAL 5662Cb 0.54 0.96 0.02 0.00 -1.47 0.00 0.00 33.84 33.89 1a9x n VAL 5662CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1a9x s THR 5663N -0.58 4.35 0.58 3.34 -1.32 -0.60 -4.55 115.64 116.86 1a9x s THR 5663Ca 0.07 0.82 -0.20 0.00 -1.21 0.00 0.00 61.69 61.18 1a9x s THR 5663Cb 0.05 -3.63 -0.04 0.00 -1.51 0.00 0.00 72.50 67.37 1a9x s THR 5663CO 0.07 -0.94 1.26 0.28 -2.21 0.00 0.00 174.62 173.07 1a9x s THR 5664N -3.02 2.42 0.05 5.08 -1.32 -1.26 -4.93 115.64 112.67 1a9x s THR 5664Ca 0.57 0.28 -0.17 0.00 -1.21 0.00 0.00 61.69 61.16 1a9x s THR 5664Cb -0.13 -3.12 -0.16 0.00 -1.51 0.00 0.00 72.50 67.58 1a9x s THR 5664CO 0.51 -0.04 1.28 0.00 -2.21 0.00 0.00 174.62 174.16 1a9x h ALA 5665N 1.05 0.24 -2.65 11.08 0.00 -1.98 -3.40 119.26 123.60 1a9x h ALA 5665Ca -0.51 -0.47 -0.40 0.00 0.00 0.00 0.00 54.91 53.53 1a9x h ALA 5665Cb 1.30 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.90 1a9x h ALA 5665CO 0.56 0.37 -0.74 -1.83 0.00 0.00 0.00 179.25 177.60 1a9x s GLU 5666N -3.86 1.07 0.61 0.00 -1.05 -1.26 -4.86 118.70 109.35 1a9x s GLU 5666Ca -0.13 -1.33 -0.18 0.00 -0.15 0.00 0.00 54.97 53.18 1a9x s GLU 5666Cb 0.06 -0.86 -0.03 0.00 -0.44 0.00 0.00 34.13 32.86 1a9x s GLU 5666CO 0.82 0.15 1.21 0.00 0.95 0.00 0.00 175.26 178.39 1a9x s ALA 5667N -2.52 2.49 0.02 -0.84 0.00 -1.26 -4.72 121.76 114.92 1a9x s ALA 5667Ca 0.12 1.00 -0.21 0.00 0.00 0.00 0.00 51.96 52.87 1a9x s ALA 5667Cb -0.03 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.68 1a9x s ALA 5667CO 0.03 -1.27 0.47 1.52 0.00 0.00 0.00 175.76 176.51 1a9x s TYR 5668N -1.64 -0.37 0.07 0.00 1.13 0.35 -4.96 117.35 111.93 1a9x s TYR 5668Ca 0.77 0.48 -0.20 0.00 -1.41 0.00 0.00 57.07 56.71 1a9x s TYR 5668Cb -0.31 0.27 -0.07 0.00 -1.10 0.00 0.00 41.96 40.76 1a9x s TYR 5668CO 0.35 -0.56 0.60 0.45 -2.51 0.00 0.00 175.55 173.87 1a9x s SER 5669N -1.71 7.09 -0.17 -0.18 0.15 -1.25 0.15 113.70 117.78 1a9x s SER 5669Ca -0.08 1.29 -0.01 0.00 0.70 0.00 0.00 55.95 57.85 1a9x s SER 5669Cb -0.01 -2.38 0.05 0.00 -1.71 0.00 0.00 66.02 61.97 1a9x s SER 5669CO 0.01 0.24 -0.02 0.86 1.20 0.00 0.00 173.24 175.53 1a9x s TRP 5670N -0.95 1.49 -0.05 3.44 -0.11 0.20 -4.91 118.94 118.04 1a9x s TRP 5670Ca 0.30 -1.01 0.07 0.00 1.22 0.00 0.00 56.10 56.68 1a9x s TRP 5670Cb -0.20 -1.21 0.11 0.00 -1.50 0.00 0.00 33.47 30.67 1a9x s TRP 5670CO 0.20 -0.61 0.99 0.25 -4.62 0.00 0.00 176.95 173.16 1a9x n THR 5671N 4.93 0.82 -3.34 5.86 -2.24 -1.26 0.44 114.28 119.48 1a9x n THR 5671Ca -0.11 -0.96 -0.38 0.00 -2.27 0.00 0.00 64.05 60.33 1a9x n THR 5671Cb 0.47 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 1a9x n THR 5671CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1a9x s GLN 5672N -1.18 4.20 0.59 -0.78 0.74 -1.26 -1.15 119.66 120.81 1a9x s GLN 5672Ca 0.12 0.53 0.01 0.00 0.05 0.00 0.00 55.36 56.07 1a9x s GLN 5672Cb 0.10 -3.33 0.11 0.00 1.10 0.00 0.00 33.01 31.00 1a9x s GLN 5672CO 0.01 0.42 0.81 0.41 -0.55 0.00 0.00 175.29 176.39 1a9x n GLY 5673N 2.48 0.89 3.77 2.59 0.00 -1.26 -4.00 105.19 109.66 1a9x n GLY 5673Ca -0.09 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 1a9x n GLY 5673CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a9x s SER 5674N -4.34 5.12 0.57 1.61 0.01 -1.25 -4.41 113.70 111.00 1a9x s SER 5674Ca 0.55 1.96 -0.16 0.00 1.31 0.00 0.00 55.95 59.61 1a9x s SER 5674Cb -0.03 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 1a9x s SER 5674CO 0.36 -1.62 1.04 0.86 0.41 0.00 0.00 173.24 174.29 1a9x s TRP 5675N -2.41 3.09 0.04 2.43 -0.00 -1.26 -4.24 118.94 116.60 1a9x s TRP 5675Ca 0.66 1.51 -0.01 0.00 -0.00 0.00 0.00 56.10 58.26 1a9x s TRP 5675Cb -0.20 -2.96 -0.03 0.00 -0.00 0.00 0.00 33.47 30.28 1a9x s TRP 5675CO 0.42 -0.92 -0.02 0.95 -0.00 0.00 0.00 176.95 177.38 1a9x s THR 5676N -2.45 0.17 0.13 5.86 -4.23 -0.38 -4.89 115.64 109.84 1a9x s THR 5676Ca 0.63 -1.41 -0.19 0.00 -1.18 0.00 0.00 61.69 59.54 1a9x s THR 5676Cb -0.15 -0.98 -0.05 0.00 1.34 0.00 0.00 72.50 72.66 1a9x s THR 5676CO 0.34 -0.78 1.76 0.25 -0.54 0.00 0.00 174.62 175.66 1a9x h LEU 5677N 3.79 0.16 -0.22 4.79 5.85 -1.99 0.89 115.31 128.59 1a9x h LEU 5677Ca -0.33 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.30 1a9x h LEU 5677Cb 1.17 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1a9x h LEU 5677CO 0.55 0.13 -0.26 0.74 -0.34 0.00 0.00 178.44 179.25 1a9x h THR 5678N 0.23 1.33 0.00 1.05 2.02 -2.04 -3.37 112.91 112.13 1a9x h THR 5678Ca 0.09 -1.45 -0.36 0.00 0.77 0.00 0.00 66.41 65.46 1a9x h THR 5678Cb 0.02 1.76 -0.07 0.00 -1.74 0.00 0.00 68.15 68.13 1a9x h THR 5678CO -0.06 0.45 -2.34 0.61 0.37 0.00 0.00 175.52 174.55 1a9x n GLY 5679N 0.24 -0.95 3.17 2.16 0.00 -1.22 -5.10 105.19 103.50 1a9x n GLY 5679Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1a9x n GLY 5679CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 5680N 1.81 -0.78 3.71 -0.02 0.00 0.31 -4.79 105.19 105.43 1a9x n GLY 5680Ca -0.32 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1a9x n GLY 5680CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 5681N 0.00 4.36 1.02 0.99 1.43 -1.26 -1.25 118.68 123.97 1a9x s LEU 5681Ca 0.00 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 1a9x s LEU 5681Cb 0.00 -3.57 0.20 0.00 0.03 0.00 0.00 46.19 42.85 1a9x s LEU 5681CO 0.00 -0.29 1.08 -2.16 0.23 0.00 0.00 176.35 175.21 1a9x s PRO 5682N 1.06 0.27 0.16 1.29 0.04 -1.26 -5.01 135.00 131.56 1a9x s PRO 5682Ca 0.52 0.88 -0.19 0.00 0.04 0.00 0.00 61.00 62.26 1a9x s PRO 5682Cb -0.22 -1.69 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 1a9x s PRO 5682CO 0.28 -2.94 0.65 -1.14 0.04 0.00 0.00 177.00 173.89 1a9x s GLN 5683N -4.72 4.20 0.24 4.56 0.74 -1.26 -4.77 119.66 118.65 1a9x s GLN 5683Ca 0.66 0.77 -0.31 0.00 0.05 0.00 0.00 55.36 56.53 1a9x s GLN 5683Cb -0.21 -3.02 -0.14 0.00 1.10 0.00 0.00 33.01 30.74 1a9x s GLN 5683CO 0.60 0.49 1.25 0.00 -0.55 0.00 0.00 175.29 177.09 1a9x n ALA 5684N 1.06 0.32 -1.06 1.58 0.00 -1.26 -4.75 120.51 116.40 1a9x n ALA 5684Ca -0.05 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.51 1a9x n ALA 5684Cb 0.51 -2.15 0.24 0.00 0.00 0.00 0.00 19.45 18.05 1a9x n ALA 5684CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a9x s LYS 5685N -0.72 -1.32 -0.06 0.00 1.02 -0.30 -4.94 119.74 113.42 1a9x s LYS 5685Ca 0.67 -0.08 -0.09 0.00 0.02 0.00 0.00 55.97 56.49 1a9x s LYS 5685Cb -0.71 -1.59 -0.05 0.00 -0.52 0.00 0.00 37.83 34.96 1a9x s LYS 5685CO 0.53 -3.77 0.24 0.15 -0.92 0.00 0.00 175.35 171.58 1a9x s LYS 5686N -5.41 3.61 0.51 1.68 3.01 -1.26 -4.86 119.74 117.02 1a9x s LYS 5686Ca 0.71 0.04 0.31 0.00 -1.01 0.00 0.00 55.97 56.02 1a9x s LYS 5686Cb -0.10 -3.18 1.43 0.00 -1.01 0.00 0.00 37.83 34.98 1a9x s LYS 5686CO 0.56 0.73 1.84 0.93 0.51 0.00 0.00 175.35 179.91 1a9x h GLU 5687N 4.71 0.08 0.00 1.68 5.08 -1.95 0.36 114.58 124.54 1a9x h GLU 5687Ca -0.53 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1a9x h GLU 5687Cb 1.22 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1a9x h GLU 5687CO 0.61 0.06 0.00 -0.40 -1.00 0.00 0.00 179.01 178.27 1a9x n ASP 5688N -4.30 0.00 -0.73 1.42 5.75 -1.26 -2.69 116.55 114.74 1a9x n ASP 5688Ca 0.22 0.23 0.13 0.00 -0.01 0.00 0.00 54.79 55.36 1a9x n ASP 5688Cb 1.05 -0.39 0.32 0.00 -1.03 0.00 0.00 41.12 41.06 1a9x n ASP 5688CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1a9x n GLU 5689N -1.39 2.00 -4.06 0.11 1.02 0.13 -4.80 120.64 113.64 1a9x n GLU 5689Ca 0.08 -1.46 -0.33 0.00 -0.02 0.00 0.00 57.16 55.44 1a9x n GLU 5689Cb 0.23 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 30.03 1a9x n GLU 5689CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1a9x s LEU 5690N -1.96 3.06 0.11 -4.62 1.43 -1.09 -4.98 118.68 110.63 1a9x s LEU 5690Ca 0.33 -1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 1a9x s LEU 5690Cb 0.20 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 1a9x s LEU 5690CO 0.32 -0.13 1.50 -0.65 0.23 0.00 0.00 176.35 177.61 1a9x h PRO 5691N 7.87 0.70 -6.27 1.29 0.10 -1.80 -3.44 132.00 130.46 1a9x h PRO 5691Ca -0.29 -0.29 -0.49 0.00 0.10 0.00 0.00 66.00 65.03 1a9x h PRO 5691Cb 1.08 -0.03 -0.01 0.00 0.10 0.00 0.00 31.00 32.14 1a9x h PRO 5691CO 0.53 0.88 -0.35 -0.06 0.10 0.00 0.00 178.00 179.11 1a9x s PHE 5692N -4.70 3.48 -0.17 0.65 0.08 -1.09 -5.00 117.98 111.23 1a9x s PHE 5692Ca -0.13 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.11 1a9x s PHE 5692Cb 0.09 -1.74 0.04 0.00 -0.57 0.00 0.00 43.02 40.84 1a9x s PHE 5692CO 0.81 0.35 -0.08 -1.58 -0.10 0.00 0.00 175.22 174.61 1a9x s HIS 5693N -2.01 1.96 -0.07 0.36 5.65 -1.26 -0.93 115.29 118.99 1a9x s HIS 5693Ca 0.37 -1.21 0.05 0.00 0.25 0.00 0.00 55.06 54.52 1a9x s HIS 5693Cb -0.10 -1.45 -0.01 0.00 -1.18 0.00 0.00 32.58 29.85 1a9x s HIS 5693CO 0.31 -0.65 -0.24 0.08 -0.65 0.00 0.00 174.74 173.59 1a9x s VAL 5694N 1.55 2.11 -0.26 0.89 1.01 -0.79 0.21 120.40 125.12 1a9x s VAL 5694Ca 0.01 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 1a9x s VAL 5694Cb -0.15 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1a9x s VAL 5694CO -0.08 0.57 0.38 -0.69 0.00 0.00 0.00 175.10 175.27 1a9x s VAL 5695N -0.06 5.18 -0.25 2.92 1.01 -0.15 -2.82 120.40 126.23 1a9x s VAL 5695Ca -0.07 0.60 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 1a9x s VAL 5695Cb -0.15 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1a9x s VAL 5695CO 0.05 0.17 0.05 0.00 0.00 0.00 0.00 175.10 175.37 1a9x s ALA 5696N 1.94 3.08 -0.10 5.51 0.00 -0.11 0.59 121.76 132.67 1a9x s ALA 5696Ca 0.16 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 1a9x s ALA 5696Cb -0.16 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 1a9x s ALA 5696CO 0.09 -0.55 1.07 0.71 0.00 0.00 0.00 175.76 177.08 1a9x s TYR 5697N 1.57 3.41 -0.64 0.00 1.51 0.15 -1.68 117.35 121.67 1a9x s TYR 5697Ca 0.06 1.48 -0.20 0.00 -1.01 0.00 0.00 57.07 57.40 1a9x s TYR 5697Cb -0.15 -3.26 0.10 0.00 -0.11 0.00 0.00 41.96 38.54 1a9x s TYR 5697CO 0.02 -0.55 0.80 0.34 -1.11 0.00 0.00 175.55 175.04 1a9x s ASP 5698N 1.21 6.23 0.00 2.29 2.15 -0.77 -1.93 116.67 125.86 1a9x s ASP 5698Ca 0.50 -1.42 0.23 0.00 0.43 0.00 0.00 52.55 52.29 1a9x s ASP 5698Cb -0.20 -2.33 0.61 0.00 -0.30 0.00 0.00 42.92 40.70 1a9x s ASP 5698CO 0.19 -1.17 1.52 0.49 -0.17 0.00 0.00 175.17 176.02 1a9x n PHE 5699N 6.59 0.90 0.00 -5.34 3.72 -1.26 -3.38 117.46 118.69 1a9x n PHE 5699Ca -0.05 -0.46 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 1a9x n PHE 5699Cb 0.44 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1a9x n PHE 5699CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a9x n GLY 5700N 1.63 0.57 3.75 1.37 0.00 -1.18 -4.00 105.19 107.33 1a9x n GLY 5700Ca 0.24 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 1a9x n GLY 5700CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 5701N -0.71 3.38 -0.02 4.61 0.00 -1.23 -3.93 121.76 123.85 1a9x s ALA 5701Ca 0.00 0.79 -0.22 0.00 0.00 0.00 0.00 51.96 52.53 1a9x s ALA 5701Cb 0.00 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1a9x s ALA 5701CO 0.00 -0.03 0.64 0.15 0.00 0.00 0.00 175.76 176.52 1a9x s LYS 5702N -1.25 4.38 0.45 0.00 1.02 -1.26 -4.85 119.74 118.22 1a9x s LYS 5702Ca 0.44 0.80 0.27 0.00 0.02 0.00 0.00 55.97 57.50 1a9x s LYS 5702Cb -0.30 -3.38 1.32 0.00 -0.52 0.00 0.00 37.83 34.96 1a9x s LYS 5702CO 0.37 0.26 1.73 0.00 -0.92 0.00 0.00 175.35 176.79 1a9x h ARG 5703N 6.03 0.20 -0.67 1.68 3.08 -1.65 -0.28 114.38 122.76 1a9x h ARG 5703Ca -0.44 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 1a9x h ARG 5703Cb 1.20 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 1a9x h ARG 5703CO 0.72 0.13 0.33 -0.97 -1.07 0.00 0.00 179.97 179.11 1a9x h ASN 5704N 0.20 0.86 -0.06 7.04 -1.24 -1.92 0.88 115.58 121.34 1a9x h ASN 5704Ca 0.67 -0.09 0.02 0.00 0.71 0.00 0.00 56.30 57.61 1a9x h ASN 5704Cb 2.08 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 40.88 1a9x h ASN 5704CO -0.25 0.72 -0.09 0.40 -1.29 0.00 0.00 177.43 176.92 1a9x h ILE 5705N 0.95 0.77 0.21 2.57 2.04 -1.37 0.91 117.51 123.59 1a9x h ILE 5705Ca 0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.10 1a9x h ILE 5705Cb 0.09 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1a9x h ILE 5705CO -0.03 0.00 -0.23 -0.07 0.00 0.00 0.00 178.15 177.82 1a9x h LEU 5706N -0.12 -0.61 -0.90 1.44 3.38 -1.52 -1.60 115.31 115.37 1a9x h LEU 5706Ca 0.05 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.19 1a9x h LEU 5706Cb 0.19 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 1a9x h LEU 5706CO -0.13 -0.33 0.54 0.03 0.09 0.00 0.00 178.44 178.64 1a9x h ARG 5707N -0.48 0.84 -0.05 1.13 3.08 -0.65 -0.38 114.38 117.89 1a9x h ARG 5707Ca 0.00 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1a9x h ARG 5707Cb 0.45 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1a9x h ARG 5707CO -0.06 0.56 -0.39 0.52 -1.07 0.00 0.00 179.97 179.53 1a9x h MET 5708N 0.87 0.09 -0.18 0.04 2.86 -0.41 -0.84 114.93 117.36 1a9x h MET 5708Ca 0.44 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.87 1a9x h MET 5708Cb 0.43 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1a9x h MET 5708CO -0.26 0.47 -0.56 -0.07 1.06 0.00 0.00 176.91 177.55 1a9x h LEU 5709N 0.08 0.81 -1.54 1.22 3.38 -0.32 -2.93 115.31 116.01 1a9x h LEU 5709Ca 0.01 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 1a9x h LEU 5709Cb 0.73 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1a9x h LEU 5709CO 0.05 1.26 0.18 0.58 0.09 0.00 0.00 178.44 180.60 1a9x h VAL 5710N 0.40 1.12 0.00 1.22 2.07 -0.76 0.20 116.25 120.50 1a9x h VAL 5710Ca -0.02 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1a9x h VAL 5710Cb 1.18 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1a9x h VAL 5710CO 0.12 0.14 0.00 0.44 0.02 0.00 0.00 177.57 178.29 1a9x h ASP 5711N 0.49 0.00 -0.34 0.57 3.32 -0.98 -2.38 116.42 117.11 1a9x h ASP 5711Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1a9x h ASP 5711Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1a9x h ASP 5711CO -0.02 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.04 1a9x n ARG 5712N -2.38 2.45 0.00 3.56 1.74 0.61 -4.92 116.66 117.72 1a9x n ARG 5712Ca 0.01 -2.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.87 1a9x n ARG 5712Cb 0.21 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1a9x n ARG 5712CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a9x n GLY 5713N 1.44 0.62 3.67 -0.13 0.00 -0.89 -4.95 105.19 104.94 1a9x n GLY 5713Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1a9x n GLY 5713CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ARG 5715N 2.69 4.41 0.15 0.00 3.52 -0.10 -3.52 118.95 126.10 1a9x s ARG 5715Ca 0.43 0.81 0.08 0.00 -0.13 0.00 0.00 55.73 56.92 1a9x s ARG 5715Cb -0.16 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1a9x s ARG 5715CO 0.10 0.06 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.03 1a9x s LEU 5716N 0.83 2.92 -0.24 -0.88 1.43 0.17 -1.89 118.68 121.02 1a9x s LEU 5716Ca 0.35 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1a9x s LEU 5716Cb -0.17 -1.67 0.07 0.00 0.03 0.00 0.00 46.19 44.45 1a9x s LEU 5716CO 0.17 0.14 0.04 -0.89 0.23 0.00 0.00 176.35 176.03 1a9x s THR 5717N -1.45 0.87 -0.25 5.49 2.01 -1.13 0.62 115.64 121.79 1a9x s THR 5717Ca 0.22 -0.98 -0.17 0.00 0.31 0.00 0.00 61.69 61.07 1a9x s THR 5717Cb -0.10 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 1a9x s THR 5717CO 0.14 -0.33 0.48 -0.63 -0.69 0.00 0.00 174.62 173.58 1a9x s ILE 5718N 1.68 5.10 0.16 1.82 -1.09 0.39 -0.93 121.20 128.32 1a9x s ILE 5718Ca 0.01 0.81 0.07 0.00 -2.23 0.00 0.00 60.65 59.32 1a9x s ILE 5718Cb -0.18 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 1a9x s ILE 5718CO -0.13 0.12 -0.03 0.68 -1.23 0.00 0.00 174.94 174.35 1a9x s VAL 5719N 2.14 3.63 0.43 2.92 -7.23 -0.67 -0.50 120.40 121.12 1a9x s VAL 5719Ca 0.20 -1.39 -0.26 0.00 -1.81 0.00 0.00 61.98 58.72 1a9x s VAL 5719Cb -0.16 -2.79 -0.09 0.00 0.56 0.00 0.00 36.38 33.90 1a9x s VAL 5719CO 0.09 -0.06 1.35 -2.65 -0.31 0.00 0.00 175.10 173.53 1a9x n PRO 5720N 0.09 2.12 -0.33 4.82 -0.02 -1.26 -1.84 135.00 138.58 1a9x n PRO 5720Ca -0.10 0.75 0.19 0.00 -2.02 0.00 0.00 63.50 62.32 1a9x n PRO 5720Cb 0.54 -2.50 0.36 0.00 -0.02 0.00 0.00 33.50 31.89 1a9x n PRO 5720CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a9x h ALA 5721N 2.25 1.44 -0.04 3.55 0.00 -1.81 0.44 119.26 125.09 1a9x h ALA 5721Ca -0.49 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1a9x h ALA 5721Cb 1.28 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1a9x h ALA 5721CO 0.61 -0.64 0.00 1.04 0.00 0.00 0.00 179.25 180.25 1a9x n GLN 5722N -5.38 1.23 -1.62 0.00 6.02 -1.26 -4.67 117.38 111.70 1a9x n GLN 5722Ca 0.26 -0.34 -0.49 0.00 -0.01 0.00 0.00 57.00 56.42 1a9x n GLN 5722Cb 0.87 -1.35 -0.05 0.00 1.02 0.00 0.00 30.24 30.74 1a9x n GLN 5722CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1a9x n THR 5723N -0.47 0.19 -1.45 5.09 -1.04 0.15 -4.93 114.28 111.83 1a9x n THR 5723Ca 0.16 -0.05 -0.32 0.00 -2.04 0.00 0.00 64.05 61.80 1a9x n THR 5723Cb 0.15 -1.07 0.08 0.00 -1.82 0.00 0.00 70.33 67.68 1a9x n THR 5723CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1a9x s SER 5724N 0.52 4.54 0.26 8.00 1.04 -1.26 -4.90 113.70 121.89 1a9x s SER 5724Ca 0.80 2.04 -0.01 0.00 0.48 0.00 0.00 55.95 59.26 1a9x s SER 5724Cb -0.84 -2.55 0.35 0.00 0.10 0.00 0.00 66.02 63.07 1a9x s SER 5724CO 0.45 -2.02 1.74 0.00 0.98 0.00 0.00 173.24 174.40 1a9x h ALA 5725N -0.55 1.09 0.32 5.32 0.00 -1.91 -1.74 119.26 121.79 1a9x h ALA 5725Ca -0.46 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 1a9x h ALA 5725Cb 1.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1a9x h ALA 5725CO 0.51 0.57 -0.15 0.93 0.00 0.00 0.00 179.25 181.10 1a9x h GLU 5726N 0.65 -0.41 -0.21 0.00 3.07 -1.95 0.53 114.58 116.25 1a9x h GLU 5726Ca 0.12 0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.07 1a9x h GLU 5726Cb 0.52 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1a9x h GLU 5726CO 0.03 -0.17 0.19 -0.44 -1.40 0.00 0.00 179.01 177.23 1a9x h ASP 5727N -0.61 0.00 0.03 1.42 3.32 -1.90 -2.20 116.42 116.48 1a9x h ASP 5727Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1a9x h ASP 5727Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1a9x h ASP 5727CO 0.07 0.00 -0.01 0.58 -1.72 0.00 0.00 179.24 178.16 1a9x h VAL 5728N 0.00 1.41 -0.70 -1.35 2.07 -0.75 -3.33 116.25 113.60 1a9x h VAL 5728Ca 0.10 -1.59 0.14 0.00 0.82 0.00 0.00 66.70 66.18 1a9x h VAL 5728Cb 0.48 2.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.64 1a9x h VAL 5728CO -0.00 0.39 0.47 -0.07 0.02 0.00 0.00 177.57 178.38 1a9x h LEU 5729N -0.76 0.34 0.00 2.57 3.38 -0.31 0.12 115.31 120.65 1a9x h LEU 5729Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1a9x h LEU 5729Cb 0.67 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1a9x h LEU 5729CO 0.01 0.18 0.00 0.29 0.09 0.00 0.00 178.44 179.01 1a9x n LYS 5730N -4.46 0.52 0.00 1.13 5.02 -0.96 -1.22 118.16 118.19 1a9x n LYS 5730Ca 0.13 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.52 1a9x n LYS 5730Cb 0.52 -1.33 -0.11 0.00 -0.02 0.00 0.00 35.03 34.09 1a9x n LYS 5730CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1a9x n MET 5731N -0.83 0.10 -3.92 1.97 2.81 0.41 -4.99 117.12 112.67 1a9x n MET 5731Ca 0.08 -0.08 -0.36 0.00 -1.81 0.00 0.00 57.70 55.53 1a9x n MET 5731Cb 0.04 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.06 1a9x n MET 5731CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1a9x n ASN 5732N -1.38 -3.54 -4.77 7.83 4.13 -0.36 -4.91 115.26 112.26 1a9x n ASN 5732Ca 0.04 -1.14 -0.38 0.00 1.68 0.00 0.00 54.58 54.78 1a9x n ASN 5732Cb 0.34 -2.57 -0.03 0.00 -1.54 0.00 0.00 39.78 35.99 1a9x n ASN 5732CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1a9x s PRO 5733N -6.71 4.13 0.45 3.52 0.05 -1.26 -4.92 135.00 130.26 1a9x s PRO 5733Ca 0.37 1.76 0.29 0.00 0.05 0.00 0.00 61.00 63.47 1a9x s PRO 5733Cb -0.16 -2.69 0.99 0.00 0.05 0.00 0.00 34.50 32.68 1a9x s PRO 5733CO 0.92 -0.23 1.83 -0.44 0.05 0.00 0.00 177.00 179.13 1a9x h ASP 5734N 2.72 0.00 -4.12 6.66 3.32 0.22 -3.46 116.42 121.75 1a9x h ASP 5734Ca -0.48 0.00 0.32 0.00 0.02 0.00 0.00 57.03 56.88 1a9x h ASP 5734Cb 1.23 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.58 1a9x h ASP 5734CO 0.63 0.00 0.95 -0.83 -1.72 0.00 0.00 179.24 178.26 1a9x s GLY 5735N -4.05 -0.23 -0.11 2.75 0.00 -1.09 -4.26 107.32 100.32 1a9x s GLY 5735Ca 0.04 1.83 0.02 0.00 0.00 0.00 0.00 44.72 46.61 1a9x s GLY 5735CO 0.56 0.60 -0.19 -0.42 0.00 0.00 0.00 173.10 173.66 1a9x s ILE 5736N -2.12 2.53 -0.14 0.90 1.01 0.26 -0.97 121.20 122.66 1a9x s ILE 5736Ca 0.11 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 1a9x s ILE 5736Cb -0.01 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1a9x s ILE 5736CO -0.03 0.54 -0.05 0.12 0.00 0.00 0.00 174.94 175.53 1a9x s PHE 5737N 0.35 3.00 -0.31 3.97 5.36 0.20 -1.51 117.98 129.04 1a9x s PHE 5737Ca -0.15 -0.28 -0.08 0.00 -0.96 0.00 0.00 56.93 55.46 1a9x s PHE 5737Cb -0.17 -1.92 0.00 0.00 -0.34 0.00 0.00 43.02 40.60 1a9x s PHE 5737CO 0.07 0.00 0.12 -0.51 -1.46 0.00 0.00 175.22 173.45 1a9x s LEU 5738N 0.20 4.05 1.11 6.12 1.43 0.41 0.32 118.68 132.32 1a9x s LEU 5738Ca -0.03 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.24 1a9x s LEU 5738Cb -0.14 -1.95 0.25 0.00 0.03 0.00 0.00 46.19 44.39 1a9x s LEU 5738CO 0.03 -0.21 1.18 -0.94 0.23 0.00 0.00 176.35 176.64 1a9x s SER 5739N 1.56 1.72 0.72 2.29 1.04 -0.81 -1.71 113.70 118.50 1a9x s SER 5739Ca 0.03 0.53 -0.06 0.00 0.48 0.00 0.00 55.95 56.93 1a9x s SER 5739Cb -0.17 -0.72 0.09 0.00 0.10 0.00 0.00 66.02 65.31 1a9x s SER 5739CO 0.05 -3.62 1.02 0.54 0.98 0.00 0.00 173.24 172.21 1a9x s ASN 5740N -4.22 4.58 0.00 7.02 4.22 -1.20 -1.27 114.94 124.08 1a9x s ASN 5740Ca 0.72 0.25 0.00 0.00 -2.14 0.00 0.00 52.86 51.68 1a9x s ASN 5740Cb -0.08 -0.81 0.00 0.00 1.28 0.00 0.00 41.25 41.64 1a9x s ASN 5740CO 0.55 -1.73 0.00 0.61 -2.04 0.00 0.00 177.10 174.49 1a9x n GLY 5741N -2.95 0.68 3.82 0.45 0.00 -1.25 -3.09 105.19 102.84 1a9x n GLY 5741Ca 0.10 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 1a9x n GLY 5741CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a9x s PRO 5742N -2.00 0.73 2.71 1.61 0.04 -1.26 -4.67 135.00 132.15 1a9x s PRO 5742Ca 0.00 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.04 1a9x s PRO 5742Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1a9x s PRO 5742CO 0.00 -2.42 0.00 0.41 0.04 0.00 0.00 177.00 175.03 1a9x n GLY 5743N -2.64 0.34 3.70 0.56 0.00 -1.26 -3.92 105.19 101.97 1a9x n GLY 5743Ca 0.10 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 1a9x n GLY 5743CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a9x s ASP 5744N -4.00 6.81 0.22 1.61 -1.08 0.12 -4.90 116.67 115.45 1a9x s ASP 5744Ca 0.00 0.97 0.09 0.00 -0.52 0.00 0.00 52.55 53.10 1a9x s ASP 5744Cb 0.00 -2.35 0.17 0.00 -1.46 0.00 0.00 42.92 39.28 1a9x s ASP 5744CO 0.00 -0.11 1.50 1.55 0.52 0.00 0.00 175.17 178.63 1a9x h PRO 5745N 6.92 0.00 -0.88 4.34 0.13 -1.86 -3.36 132.00 137.29 1a9x h PRO 5745Ca -0.39 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.92 1a9x h PRO 5745Cb 1.18 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1a9x h PRO 5745CO 0.76 0.74 0.43 0.00 -0.23 0.00 0.00 178.00 179.70 1a9x h ALA 5746N 1.26 1.37 -0.03 -0.56 0.00 -1.95 -2.37 119.26 116.98 1a9x h ALA 5746Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1a9x h ALA 5746Cb 1.32 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1a9x h ALA 5746CO 0.10 -0.20 0.00 -0.35 0.00 0.00 0.00 179.25 178.80 1a9x n PRO 5747N -4.94 1.09 -2.72 0.00 -0.04 -1.26 -4.44 135.00 122.69 1a9x n PRO 5747Ca 0.20 -0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 63.09 1a9x n PRO 5747Cb 0.54 -1.22 0.01 0.00 -0.04 0.00 0.00 33.50 32.78 1a9x n PRO 5747CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a9x h ASP 5749N 5.75 -0.11 -0.76 0.00 3.04 -1.85 -1.13 116.42 121.36 1a9x h ASP 5749Ca 0.30 0.10 0.14 0.00 -3.24 0.00 0.00 57.03 54.32 1a9x h ASP 5749Cb 0.65 0.16 -0.05 0.00 -1.04 0.00 0.00 39.33 39.05 1a9x h ASP 5749CO 1.44 -0.02 0.50 0.10 -2.04 0.00 0.00 179.24 179.22 1a9x h TYR 5750N 0.15 0.55 0.17 4.15 -0.00 -1.96 -1.69 116.97 118.34 1a9x h TYR 5750Ca 0.22 0.02 -0.30 0.00 0.00 0.00 0.00 58.73 58.67 1a9x h TYR 5750Cb 0.31 -0.17 0.01 0.00 0.00 0.00 0.00 36.73 36.88 1a9x h TYR 5750CO -0.26 0.22 -1.39 0.00 -0.00 0.00 0.00 178.16 176.73 1a9x h ALA 5751N 1.64 0.04 -0.49 0.10 0.00 -1.58 -2.54 119.26 116.44 1a9x h ALA 5751Ca 0.37 -0.93 0.01 0.00 0.00 0.00 0.00 54.91 54.37 1a9x h ALA 5751Cb 0.76 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1a9x h ALA 5751CO -0.13 0.91 0.31 0.82 0.00 0.00 0.00 179.25 181.16 1a9x h ILE 5752N 0.10 1.09 0.53 0.00 2.04 -0.42 0.10 117.51 120.95 1a9x h ILE 5752Ca -0.20 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1a9x h ILE 5752Cb 2.05 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1a9x h ILE 5752CO 0.22 0.11 -0.32 0.74 0.00 0.00 0.00 178.15 178.91 1a9x h THR 5753N 0.62 0.35 -0.72 -0.27 2.02 -1.42 -0.48 112.91 113.00 1a9x h THR 5753Ca 0.19 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.46 1a9x h THR 5753Cb -0.03 0.35 -0.07 0.00 -1.74 0.00 0.00 68.15 66.66 1a9x h THR 5753CO -0.06 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.19 1a9x h ALA 5754N -0.38 1.00 -0.72 6.16 0.00 -1.34 -0.38 119.26 123.61 1a9x h ALA 5754Ca -0.06 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1a9x h ALA 5754Cb 0.65 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1a9x h ALA 5754CO 0.07 -0.04 0.43 0.82 0.00 0.00 0.00 179.25 180.54 1a9x h ILE 5755N 0.62 1.04 -0.90 0.00 2.04 -0.70 -1.30 117.51 118.31 1a9x h ILE 5755Ca 0.36 -0.28 0.15 0.00 1.00 0.00 0.00 64.86 66.09 1a9x h ILE 5755Cb 0.38 0.15 -0.09 0.00 -0.74 0.00 0.00 36.82 36.51 1a9x h ILE 5755CO -0.27 0.15 0.50 1.56 0.00 0.00 0.00 178.15 180.09 1a9x h GLN 5756N 0.82 0.69 -0.34 2.37 4.20 0.59 0.13 115.11 123.57 1a9x h GLN 5756Ca 0.30 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.91 1a9x h GLN 5756Cb 0.10 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1a9x h GLN 5756CO -0.14 0.46 -0.03 0.87 -0.67 0.00 0.00 178.83 179.31 1a9x h LYS 5757N 0.71 0.63 -0.83 1.46 6.56 -0.51 -2.94 116.57 121.64 1a9x h LYS 5757Ca 0.49 -0.22 0.03 0.00 -1.06 0.00 0.00 60.65 59.89 1a9x h LYS 5757Cb 0.68 -0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 32.24 1a9x h LYS 5757CO -0.35 0.77 0.54 0.74 -2.06 0.00 0.00 179.45 179.08 1a9x h PHE 5758N 0.42 1.01 0.00 -1.35 0.04 0.22 -0.96 116.94 116.32 1a9x h PHE 5758Ca 0.09 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1a9x h PHE 5758Cb 0.51 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1a9x h PHE 5758CO 0.04 0.59 0.00 1.28 -0.60 0.00 0.00 178.31 179.63 1a9x n LEU 5759N -4.55 0.51 0.12 1.54 4.77 0.18 -0.74 117.00 118.82 1a9x n LEU 5759Ca 0.10 0.68 0.01 0.00 -0.03 0.00 0.00 56.01 56.78 1a9x n LEU 5759Cb 0.07 -0.68 -0.00 0.00 -2.33 0.00 0.00 43.42 40.48 1a9x n LEU 5759CO 0.34 -0.71 0.33 -0.33 -1.33 0.00 0.00 177.39 175.69 1a9x h GLU 5760N 0.00 0.00 0.00 3.23 5.08 -1.02 -3.46 114.58 118.41 1a9x h GLU 5760Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1a9x h GLU 5760Cb 0.15 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.47 1a9x h GLU 5760CO 0.00 0.50 0.15 0.25 -1.00 0.00 0.00 179.01 178.91 1a9x n THR 5761N -3.18 0.00 0.01 1.13 -2.24 0.08 -5.02 114.28 105.06 1a9x n THR 5761Ca 0.00 -0.62 0.04 0.00 -2.27 0.00 0.00 64.05 61.20 1a9x n THR 5761Cb 0.76 -1.49 0.09 0.00 -2.10 0.00 0.00 70.33 67.59 1a9x n THR 5761CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1a9x n ASP 5762N -3.23 2.38 -4.77 3.42 8.00 -1.26 -4.95 116.55 116.14 1a9x n ASP 5762Ca 0.08 -1.80 -0.36 0.00 0.71 0.00 0.00 54.79 53.42 1a9x n ASP 5762Cb 0.30 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1a9x n ASP 5762CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a9x s ILE 5763N -0.90 3.00 0.21 0.53 1.01 -1.26 -4.78 121.20 119.00 1a9x s ILE 5763Ca 0.15 0.70 -0.30 0.00 0.00 0.00 0.00 60.65 61.20 1a9x s ILE 5763Cb 0.08 -3.33 -0.08 0.00 0.01 0.00 0.00 42.46 39.14 1a9x s ILE 5763CO 0.11 -0.06 1.11 -2.84 0.00 0.00 0.00 174.94 173.26 1a9x s PRO 5764N -2.96 4.59 -0.09 2.79 0.02 -1.26 -4.72 135.00 133.38 1a9x s PRO 5764Ca 0.68 1.76 0.03 0.00 0.02 0.00 0.00 61.00 63.49 1a9x s PRO 5764Cb -0.28 -3.25 0.01 0.00 0.02 0.00 0.00 34.50 31.00 1a9x s PRO 5764CO 0.33 0.09 -0.16 0.08 -0.33 0.00 0.00 177.00 177.01 1a9x s VAL 5765N -0.45 1.48 -0.03 3.83 1.01 -0.05 -0.57 120.40 125.61 1a9x s VAL 5765Ca 0.49 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1a9x s VAL 5765Cb -0.31 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1a9x s VAL 5765CO 0.37 0.43 -0.03 0.12 0.00 0.00 0.00 175.10 175.99 1a9x s PHE 5766N 0.68 0.57 0.06 5.22 5.36 -0.57 -1.44 117.98 127.87 1a9x s PHE 5766Ca -0.13 -0.12 0.06 0.00 -0.96 0.00 0.00 56.93 55.78 1a9x s PHE 5766Cb -0.16 -0.54 -0.03 0.00 -0.34 0.00 0.00 43.02 41.95 1a9x s PHE 5766CO 0.03 -0.15 -0.17 0.20 -1.46 0.00 0.00 175.22 173.68 1a9x s GLY 5767N 0.82 0.98 0.00 13.12 0.00 -0.87 0.15 107.32 121.53 1a9x s GLY 5767Ca -0.10 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1a9x s GLY 5767CO -0.00 -0.99 0.50 1.39 0.00 0.00 0.00 173.10 173.99 1a9x n ILE 5768N 1.56 0.17 0.00 0.90 5.41 -0.70 -1.84 119.36 124.87 1a9x n ILE 5768Ca -0.19 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.08 1a9x n ILE 5768Cb 0.54 1.08 0.00 0.00 -0.71 0.00 0.00 39.64 40.55 1a9x n ILE 5768CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1a9x n LEU 5770N -0.09 0.00 0.25 1.39 7.94 -1.26 -3.24 117.00 121.99 1a9x n LEU 5770Ca 0.00 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.98 1a9x n LEU 5770Cb 0.11 0.00 0.62 0.00 0.53 0.00 0.00 43.42 44.68 1a9x n LEU 5770CO 0.00 0.00 1.02 1.23 -1.11 0.00 0.00 177.39 178.53 1a9x h GLY 5771N 0.00 0.00 0.97 -3.96 0.00 -1.35 0.49 103.07 99.22 1a9x h GLY 5771Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1a9x h GLY 5771CO 0.00 0.00 -0.60 0.84 0.00 0.00 0.00 176.54 176.78 1a9x h HIS 5772N 0.00 0.82 -0.55 5.60 -0.00 -1.72 -2.05 115.15 117.25 1a9x h HIS 5772Ca -0.00 -0.37 -0.05 0.00 -0.00 0.00 0.00 60.37 59.95 1a9x h HIS 5772Cb 0.10 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.37 1a9x h HIS 5772CO 0.00 1.17 0.15 1.96 -0.00 0.00 0.00 177.93 181.20 1a9x h GLN 5773N 0.24 0.87 -0.71 5.26 4.20 -1.60 -2.23 115.11 121.15 1a9x h GLN 5773Ca -0.04 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.39 1a9x h GLN 5773Cb 1.24 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 1a9x h GLN 5773CO 0.12 0.81 0.17 -0.07 -0.67 0.00 0.00 178.83 179.20 1a9x h LEU 5774N 0.77 1.08 -0.07 1.46 3.38 -0.95 -0.97 115.31 120.01 1a9x h LEU 5774Ca 0.17 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1a9x h LEU 5774Cb 0.32 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1a9x h LEU 5774CO -0.00 1.03 -0.21 0.25 0.09 0.00 0.00 178.44 179.60 1a9x h LEU 5775N 1.08 -0.64 -1.62 1.67 5.85 -1.18 0.21 115.31 120.69 1a9x h LEU 5775Ca 0.22 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1a9x h LEU 5775Cb 0.37 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1a9x h LEU 5775CO 0.00 -0.27 0.12 0.00 -0.34 0.00 0.00 178.44 177.95 1a9x h ALA 5776N 0.64 1.71 -0.07 1.25 0.00 -1.13 -0.89 119.26 120.77 1a9x h ALA 5776Ca 0.08 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1a9x h ALA 5776Cb 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1a9x h ALA 5776CO -0.24 0.24 -0.33 -0.07 0.00 0.00 0.00 179.25 178.85 1a9x h LEU 5777N 0.37 0.41 -2.22 0.00 3.38 -0.13 0.43 115.31 117.55 1a9x h LEU 5777Ca 0.10 -0.65 0.04 0.00 0.09 0.00 0.00 57.88 57.46 1a9x h LEU 5777Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1a9x h LEU 5777CO -0.01 0.99 0.12 0.00 0.09 0.00 0.00 178.44 179.63 1a9x h ALA 5778N 0.43 1.84 -0.09 1.53 0.00 -0.18 0.38 119.26 123.17 1a9x h ALA 5778Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a9x h ALA 5778Cb 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1a9x h ALA 5778CO 0.07 -0.19 0.00 0.43 0.00 0.00 0.00 179.25 179.56 1a9x n SER 5779N -4.03 1.31 0.00 0.00 7.64 -0.38 -4.77 113.62 113.40 1a9x n SER 5779Ca 0.00 -1.57 0.00 0.00 1.01 0.00 0.00 58.87 58.31 1a9x n SER 5779Cb 0.24 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1a9x n SER 5779CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a9x n GLY 5780N 1.09 0.59 3.97 0.23 0.00 0.13 -4.73 105.19 106.47 1a9x n GLY 5780Ca 0.17 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1a9x n GLY 5780CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 5781N -2.00 3.40 0.07 4.61 0.00 0.15 -4.72 121.76 123.27 1a9x s ALA 5781Ca 0.00 -1.48 0.10 0.00 0.00 0.00 0.00 51.96 50.57 1a9x s ALA 5781Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 1a9x s ALA 5781CO 0.00 -1.53 -0.26 0.15 0.00 0.00 0.00 175.76 174.13 1a9x s LYS 5782N -5.24 1.70 0.24 0.00 1.02 -1.26 -4.40 119.74 111.79 1a9x s LYS 5782Ca 0.66 -1.18 0.08 0.00 0.02 0.00 0.00 55.97 55.55 1a9x s LYS 5782Cb -0.06 -1.98 -0.04 0.00 -0.52 0.00 0.00 37.83 35.23 1a9x s LYS 5782CO 0.45 0.49 0.07 0.95 -0.92 0.00 0.00 175.35 176.40 1a9x s THR 5783N -0.91 3.88 0.04 2.17 -4.23 -1.26 -0.42 115.64 114.90 1a9x s THR 5783Ca 0.13 -1.61 -0.06 0.00 -1.18 0.00 0.00 61.69 58.97 1a9x s THR 5783Cb -0.10 -3.06 -0.01 0.00 1.34 0.00 0.00 72.50 70.67 1a9x s THR 5783CO 0.04 -0.31 0.10 0.68 -0.54 0.00 0.00 174.62 174.60 1a9x s VAL 5784N -2.12 0.13 -0.01 2.29 -7.23 0.24 -4.86 120.40 108.84 1a9x s VAL 5784Ca 0.31 -1.06 -0.21 0.00 -1.81 0.00 0.00 61.98 59.21 1a9x s VAL 5784Cb -0.08 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.94 1a9x s VAL 5784CO 0.21 -0.58 0.61 -0.75 -0.31 0.00 0.00 175.10 174.28 1a9x s LYS 5785N -2.55 4.34 0.79 4.82 2.20 -1.26 0.18 119.74 128.26 1a9x s LYS 5785Ca -0.05 0.76 -0.12 0.00 -0.36 0.00 0.00 55.97 56.20 1a9x s LYS 5785Cb -0.01 -3.35 0.07 0.00 -1.51 0.00 0.00 37.83 33.02 1a9x s LYS 5785CO -0.04 0.33 1.15 -1.64 -0.36 0.00 0.00 175.35 174.79 1a9x s MET 5786N -0.08 2.14 0.09 4.03 -1.94 0.73 -4.89 119.30 119.39 1a9x s MET 5786Ca 0.32 0.22 -0.31 0.00 -1.71 0.00 0.00 55.69 54.21 1a9x s MET 5786Cb -0.18 -1.96 -0.14 0.00 2.01 0.00 0.00 34.83 34.56 1a9x s MET 5786CO 0.17 -1.49 1.62 -0.22 -0.01 0.00 0.00 175.02 175.09 1a9x h LYS 5787N -0.98 -0.70 0.00 2.03 3.64 -1.96 -3.38 116.57 115.21 1a9x h LYS 5787Ca -0.46 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1a9x h LYS 5787Cb 1.31 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1a9x h LYS 5787CO 0.65 -0.46 -0.06 1.97 -2.27 0.00 0.00 179.45 179.27 1a9x n PHE 5788N -5.45 0.00 -0.69 1.91 1.16 -1.26 -0.35 117.46 112.77 1a9x n PHE 5788Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.48 1a9x n PHE 5788Cb 0.35 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.22 1a9x n PHE 5788CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1a9x n GLY 5789N 0.43 -2.68 3.11 4.97 0.00 -1.26 -4.81 105.19 104.96 1a9x n GLY 5789Ca 0.00 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 1a9x n GLY 5789CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a9x s HIS 5790N -0.75 2.78 -0.24 1.61 0.09 0.28 -5.00 115.29 114.06 1a9x s HIS 5790Ca 0.00 -1.67 -0.03 0.00 -0.00 0.00 0.00 55.06 53.36 1a9x s HIS 5790Cb 0.00 -1.91 0.10 0.00 -0.00 0.00 0.00 32.58 30.78 1a9x s HIS 5790CO 0.00 -0.81 0.21 -1.01 -0.00 0.00 0.00 174.74 173.14 1a9x s HIS 5791N 1.29 -0.18 -2.04 1.40 3.76 -1.24 -0.38 115.29 117.90 1a9x s HIS 5791Ca 0.04 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 1a9x s HIS 5791Cb -0.13 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 33.05 1a9x s HIS 5791CO -0.12 -0.71 0.00 0.41 -0.85 0.00 0.00 174.74 173.46 1a9x n GLY 5792N 5.30 -1.77 0.37 -2.22 0.00 -0.11 -2.40 105.19 104.36 1a9x n GLY 5792Ca -0.05 -1.12 0.05 0.00 0.00 0.00 0.00 46.02 44.91 1a9x n GLY 5792CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 5793N -0.35 2.88 0.44 -0.02 0.00 -1.26 -0.59 105.19 106.29 1a9x n GLY 5793Ca 0.00 -0.67 0.06 0.00 0.00 0.00 0.00 46.02 45.41 1a9x n GLY 5793CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a9x n ASN 5794N -0.71 1.42 -4.62 1.61 6.94 -1.20 -4.45 115.26 114.24 1a9x n ASN 5794Ca 0.09 -2.79 -0.43 0.00 -0.02 0.00 0.00 54.58 51.43 1a9x n ASN 5794Cb 0.70 -0.37 -0.02 0.00 -2.36 0.00 0.00 39.78 37.73 1a9x n ASN 5794CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1a9x s HIS 5795N -1.79 2.93 -0.09 -2.53 2.46 -0.89 -4.68 115.29 110.70 1a9x s HIS 5795Ca 0.24 0.92 -0.30 0.00 0.47 0.00 0.00 55.06 56.39 1a9x s HIS 5795Cb 0.23 -4.10 -0.02 0.00 -0.13 0.00 0.00 32.58 28.55 1a9x s HIS 5795CO -0.02 -1.12 1.16 -1.25 -2.47 0.00 0.00 174.74 171.05 1a9x s PRO 5796N 4.13 4.34 -0.05 2.88 0.04 -1.26 0.16 135.00 145.24 1a9x s PRO 5796Ca 0.48 1.60 0.05 0.00 0.04 0.00 0.00 61.00 63.17 1a9x s PRO 5796Cb -0.10 -3.59 -0.01 0.00 0.04 0.00 0.00 34.50 30.85 1a9x s PRO 5796CO 0.25 -0.47 -0.20 0.08 0.04 0.00 0.00 177.00 176.69 1a9x s VAL 5797N 2.41 1.70 -0.18 -0.36 1.01 0.21 -0.97 120.40 124.22 1a9x s VAL 5797Ca 0.54 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 1a9x s VAL 5797Cb -0.22 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1a9x s VAL 5797CO 0.19 0.48 0.10 -0.75 0.00 0.00 0.00 175.10 175.12 1a9x s LYS 5798N -0.00 3.95 -0.61 2.72 2.20 0.24 -0.47 119.74 127.76 1a9x s LYS 5798Ca -0.05 -0.27 -0.23 0.00 -0.36 0.00 0.00 55.97 55.06 1a9x s LYS 5798Cb -0.13 -3.27 0.06 0.00 -1.51 0.00 0.00 37.83 32.97 1a9x s LYS 5798CO 0.03 0.37 0.96 0.34 -0.36 0.00 0.00 175.35 176.69 1a9x s ASP 5799N 0.13 6.24 0.28 1.43 -1.08 -0.73 -1.87 116.67 121.07 1a9x s ASP 5799Ca 0.07 -0.69 -0.00 0.00 -0.52 0.00 0.00 52.55 51.40 1a9x s ASP 5799Cb -0.12 -2.43 0.41 0.00 -1.46 0.00 0.00 42.92 39.33 1a9x s ASP 5799CO -0.00 -1.35 1.81 -0.37 0.52 0.00 0.00 175.17 175.77 1a9x h VAL 5800N 5.99 1.23 0.68 1.11 -1.51 -1.74 1.67 116.25 123.68 1a9x h VAL 5800Ca -0.28 -0.89 -0.03 0.00 -1.23 0.00 0.00 66.70 64.27 1a9x h VAL 5800Cb 1.07 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1a9x h VAL 5800CO 1.14 0.32 -0.37 -0.33 -1.23 0.00 0.00 177.57 177.09 1a9x h GLU 5801N 0.71 -0.94 0.00 5.19 5.08 -1.89 -3.14 114.58 119.59 1a9x h GLU 5801Ca 0.15 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1a9x h GLU 5801Cb 0.37 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1a9x h GLU 5801CO 0.01 -0.63 -0.35 0.87 -1.00 0.00 0.00 179.01 177.91 1a9x h LYS 5802N -0.98 0.00 -4.97 2.33 1.57 -1.87 -3.48 116.57 109.18 1a9x h LYS 5802Ca -0.09 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.39 1a9x h LYS 5802Cb 0.77 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.21 1a9x h LYS 5802CO 0.12 0.00 -0.59 -1.71 -0.57 0.00 0.00 179.45 176.69 1a9x n ASN 5803N -2.27 -3.77 -4.38 0.86 5.15 0.57 -5.02 115.26 106.40 1a9x n ASN 5803Ca 0.04 -0.48 -0.20 0.00 -0.60 0.00 0.00 54.58 53.35 1a9x n ASN 5803Cb 0.45 -4.25 -0.10 0.00 -0.53 0.00 0.00 39.78 35.35 1a9x n ASN 5803CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1a9x s VAL 5804N -3.28 1.84 -0.08 3.44 -7.23 -1.10 -4.97 120.40 109.01 1a9x s VAL 5804Ca 0.23 -2.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1a9x s VAL 5804Cb -0.10 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 1a9x s VAL 5804CO 0.60 -0.51 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.06 1a9x s VAL 5805N -2.91 3.13 -0.01 1.32 1.01 -1.26 -1.77 120.40 119.91 1a9x s VAL 5805Ca 0.25 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.63 1a9x s VAL 5805Cb -0.01 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1a9x s VAL 5805CO 0.09 0.57 -0.26 -0.04 0.00 0.00 0.00 175.10 175.46 1a9x s MET 5806N -0.37 2.08 -0.16 2.72 -1.94 0.38 -4.93 119.30 117.09 1a9x s MET 5806Ca 0.04 -0.94 -0.20 0.00 -1.71 0.00 0.00 55.69 52.88 1a9x s MET 5806Cb -0.12 -2.03 -0.03 0.00 2.01 0.00 0.00 34.83 34.65 1a9x s MET 5806CO 0.02 0.55 0.56 0.42 -0.01 0.00 0.00 175.02 176.56 1a9x s ILE 5807N -0.62 5.10 0.34 2.53 -1.09 -1.26 0.66 121.20 126.86 1a9x s ILE 5807Ca 0.10 1.07 0.03 0.00 -2.23 0.00 0.00 60.65 59.63 1a9x s ILE 5807Cb -0.10 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 1a9x s ILE 5807CO -0.01 0.22 0.10 0.42 -1.23 0.00 0.00 174.94 174.44 1a9x s THR 5808N 1.26 0.75 -0.12 2.92 -4.23 0.42 -4.37 115.64 112.28 1a9x s THR 5808Ca 0.28 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.67 1a9x s THR 5808Cb -0.16 -2.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.05 1a9x s THR 5808CO 0.11 0.00 0.26 0.00 -0.54 0.00 0.00 174.62 174.45 1a9x s ALA 5809N -3.40 3.70 0.01 3.99 0.00 -1.26 -2.08 121.76 122.71 1a9x s ALA 5809Ca 0.33 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1a9x s ALA 5809Cb 0.06 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 1a9x s ALA 5809CO 0.15 0.32 -0.03 -0.65 0.00 0.00 0.00 175.76 175.56 1a9x s GLN 5810N -0.28 0.22 -0.48 0.00 -1.52 0.24 -1.46 119.66 116.38 1a9x s GLN 5810Ca 0.17 -0.23 0.06 0.00 -1.95 0.00 0.00 55.36 53.41 1a9x s GLN 5810Cb -0.13 -0.13 0.19 0.00 -0.22 0.00 0.00 33.01 32.72 1a9x s GLN 5810CO 0.05 0.03 0.61 -1.71 -0.25 0.00 0.00 175.29 174.03 1a9x n ASN 5811N 2.65 -2.43 -3.72 5.90 5.15 -1.08 -0.93 115.26 120.79 1a9x n ASN 5811Ca -0.15 -2.77 -0.12 0.00 -0.60 0.00 0.00 54.58 50.94 1a9x n ASN 5811Cb 0.58 0.99 -0.10 0.00 -0.53 0.00 0.00 39.78 40.72 1a9x n ASN 5811CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1a9x s HIS 5812N 0.56 -0.50 -0.59 1.20 -3.43 0.49 -4.99 115.29 108.03 1a9x s HIS 5812Ca 0.31 1.16 0.16 0.00 -0.80 0.00 0.00 55.06 55.89 1a9x s HIS 5812Cb 0.03 0.19 -0.19 0.00 -1.43 0.00 0.00 32.58 31.18 1a9x s HIS 5812CO -0.11 -0.26 0.60 0.41 -2.00 0.00 0.00 174.74 173.39 1a9x n GLY 5813N 3.30 -0.56 3.60 -1.38 0.00 -1.26 -0.56 105.19 108.34 1a9x n GLY 5813Ca -0.16 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 1a9x n GLY 5813CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 5814N -2.64 2.49 0.10 1.61 0.40 -1.26 -0.20 117.98 118.48 1a9x s PHE 5814Ca 0.03 -0.54 -0.14 0.00 -0.60 0.00 0.00 56.93 55.69 1a9x s PHE 5814Cb 0.12 -1.57 0.02 0.00 0.51 0.00 0.00 43.02 42.10 1a9x s PHE 5814CO 0.66 0.49 0.33 0.00 0.70 0.00 0.00 175.22 177.39 1a9x s ALA 5815N -2.61 -0.69 -0.22 5.36 0.00 0.13 -4.79 121.76 118.93 1a9x s ALA 5815Ca 0.34 -0.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.90 1a9x s ALA 5815Cb 0.04 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1a9x s ALA 5815CO 0.18 -0.57 0.65 0.08 0.00 0.00 0.00 175.76 176.10 1a9x s VAL 5816N -3.63 4.99 0.04 0.00 1.01 -1.26 0.82 120.40 122.36 1a9x s VAL 5816Ca 0.02 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1a9x s VAL 5816Cb 0.02 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 1a9x s VAL 5816CO -0.10 0.06 1.44 -0.62 0.00 0.00 0.00 175.10 175.88 1a9x s ASP 5817N 1.32 6.80 0.24 3.32 2.15 0.43 -4.46 116.67 126.48 1a9x s ASP 5817Ca 0.28 2.22 0.06 0.00 0.43 0.00 0.00 52.55 55.54 1a9x s ASP 5817Cb -0.16 -2.57 0.25 0.00 -0.30 0.00 0.00 42.92 40.15 1a9x s ASP 5817CO 0.09 -0.73 1.55 -0.08 -0.17 0.00 0.00 175.17 175.83 1a9x h GLU 5818N 7.69 0.17 0.00 4.34 4.81 -1.95 -3.17 114.58 126.47 1a9x h GLU 5818Ca -0.40 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 1a9x h GLU 5818Cb 1.19 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1a9x h GLU 5818CO 0.90 0.75 -0.10 0.00 -0.73 0.00 0.00 179.01 179.83 1a9x h ALA 5819N 1.22 1.16 -0.42 2.92 0.00 -1.97 -2.44 119.26 119.73 1a9x h ALA 5819Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1a9x h ALA 5819Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1a9x h ALA 5819CO 0.09 0.12 0.00 0.25 0.00 0.00 0.00 179.25 179.72 1a9x n THR 5820N -3.44 0.55 -1.92 0.00 -2.24 -1.20 -4.96 114.28 101.07 1a9x n THR 5820Ca -0.01 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.65 1a9x n THR 5820Cb 0.25 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 1a9x n THR 5820CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1a9x s LEU 5821N -1.35 4.17 0.34 3.22 2.96 -0.92 -4.43 118.68 122.67 1a9x s LEU 5821Ca 0.38 2.16 -0.29 0.00 -0.22 0.00 0.00 54.13 56.17 1a9x s LEU 5821Cb 0.21 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 43.27 1a9x s LEU 5821CO 0.29 -1.12 1.42 -2.16 -1.32 0.00 0.00 176.35 173.46 1a9x s PRO 5822N 4.49 4.22 0.36 0.98 0.04 -1.26 -4.89 135.00 138.94 1a9x s PRO 5822Ca 0.79 2.41 0.18 0.00 0.04 0.00 0.00 61.00 64.42 1a9x s PRO 5822Cb -0.33 -3.02 1.01 0.00 0.04 0.00 0.00 34.50 32.19 1a9x s PRO 5822CO 0.33 -0.39 1.51 0.00 0.04 0.00 0.00 177.00 178.48 1a9x h ALA 5823N 3.45 1.13 -0.24 8.56 0.00 -1.95 -0.67 119.26 129.54 1a9x h ALA 5823Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1a9x h ALA 5823Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1a9x h ALA 5823CO 0.67 -0.13 0.00 0.27 0.00 0.00 0.00 179.25 180.06 1a9x n ASN 5824N -2.22 1.48 -4.08 0.00 2.04 -1.26 -4.60 115.26 106.62 1a9x n ASN 5824Ca -0.01 -1.89 -0.32 0.00 -0.44 0.00 0.00 54.58 51.92 1a9x n ASN 5824Cb 0.21 -0.16 -0.16 0.00 -2.53 0.00 0.00 39.78 37.15 1a9x n ASN 5824CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1a9x s LEU 5825N -1.18 2.37 -0.00 -4.53 1.43 -0.26 0.43 118.68 116.93 1a9x s LEU 5825Ca 0.23 -0.82 -0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1a9x s LEU 5825Cb 0.12 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 1a9x s LEU 5825CO 0.17 -0.07 0.08 0.00 0.23 0.00 0.00 176.35 176.76 1a9x s ARG 5826N 1.29 3.05 -0.19 1.70 1.70 0.94 -4.77 118.95 122.66 1a9x s ARG 5826Ca 0.01 -0.49 -0.29 0.00 -0.47 0.00 0.00 55.73 54.49 1a9x s ARG 5826Cb -0.15 -2.85 -0.02 0.00 -0.57 0.00 0.00 34.95 31.37 1a9x s ARG 5826CO -0.10 0.64 1.35 0.08 -1.08 0.00 0.00 175.30 176.19 1a9x s VAL 5827N -1.19 4.11 -0.06 4.99 1.01 -1.26 -1.32 120.40 126.68 1a9x s VAL 5827Ca 0.23 1.31 0.16 0.00 0.00 0.00 0.00 61.98 63.69 1a9x s VAL 5827Cb -0.12 -3.94 -0.25 0.00 0.00 0.00 0.00 36.38 32.07 1a9x s VAL 5827CO 0.14 -0.22 0.29 0.35 0.00 0.00 0.00 175.10 175.66 1a9x n THR 5828N 5.68 0.30 -3.67 3.92 -2.24 -0.48 -4.83 114.28 112.96 1a9x n THR 5828Ca 0.15 -0.47 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 1a9x n THR 5828Cb 0.45 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 1a9x n THR 5828CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1a9x s HIS 5829N -2.97 -0.72 0.12 4.78 3.76 -1.21 -2.19 115.29 116.85 1a9x s HIS 5829Ca -0.07 1.67 0.07 0.00 -0.15 0.00 0.00 55.06 56.58 1a9x s HIS 5829Cb 0.09 0.30 -0.04 0.00 1.11 0.00 0.00 32.58 34.04 1a9x s HIS 5829CO 0.70 -0.36 -0.16 0.15 -0.85 0.00 0.00 174.74 174.22 1a9x s LYS 5830N 0.65 1.06 0.19 1.40 1.02 -0.78 0.86 119.74 124.13 1a9x s LYS 5830Ca -0.03 -1.22 -0.30 0.00 0.02 0.00 0.00 55.97 54.44 1a9x s LYS 5830Cb -0.05 -1.05 -0.08 0.00 -0.52 0.00 0.00 37.83 36.14 1a9x s LYS 5830CO -0.04 0.22 1.00 0.45 -0.92 0.00 0.00 175.35 176.06 1a9x s SER 5831N -2.32 7.47 0.05 2.83 0.15 -0.54 -0.59 113.70 120.75 1a9x s SER 5831Ca 0.08 1.96 0.25 0.00 0.70 0.00 0.00 55.95 58.95 1a9x s SER 5831Cb -0.06 -2.60 0.56 0.00 -1.71 0.00 0.00 66.02 62.20 1a9x s SER 5831CO 0.04 -0.04 1.46 0.18 1.20 0.00 0.00 173.24 176.08 1a9x n LEU 5832N 2.10 0.51 0.08 3.45 4.32 -0.14 0.86 117.00 128.18 1a9x n LEU 5832Ca 0.01 0.17 -0.21 0.00 -0.02 0.00 0.00 56.01 55.95 1a9x n LEU 5832Cb 0.47 -0.26 -0.14 0.00 -1.62 0.00 0.00 43.42 41.87 1a9x n LEU 5832CO 0.52 0.03 -0.02 -0.26 -1.22 0.00 0.00 177.39 176.44 1a9x h PHE 5833N 0.00 0.78 0.00 -1.77 0.04 -1.92 -3.41 116.94 110.65 1a9x h PHE 5833Ca 0.00 -0.53 0.00 0.00 2.80 0.00 0.00 57.97 60.24 1a9x h PHE 5833Cb 0.60 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1a9x h PHE 5833CO 0.00 1.39 -0.14 -0.40 -0.60 0.00 0.00 178.31 178.56 1a9x n ASP 5834N -3.96 0.00 0.00 2.17 5.68 -1.24 -5.01 116.55 114.18 1a9x n ASP 5834Ca -0.14 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 1a9x n ASP 5834Cb 0.91 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 1a9x n ASP 5834CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a9x n GLY 5835N 0.00 0.53 3.78 6.12 0.00 0.25 -4.94 105.19 110.92 1a9x n GLY 5835Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1a9x n GLY 5835CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a9x s THR 5836N -2.53 3.44 0.15 2.61 -4.23 -1.26 -4.51 115.64 109.30 1a9x s THR 5836Ca 0.00 0.52 -0.31 0.00 -1.18 0.00 0.00 61.69 60.72 1a9x s THR 5836Cb 0.00 -3.05 -0.10 0.00 1.34 0.00 0.00 72.50 70.68 1a9x s THR 5836CO 0.00 -0.56 1.71 -0.22 -0.54 0.00 0.00 174.62 175.02 1a9x s LEU 5837N -5.55 4.38 -0.04 4.79 2.96 -1.26 -1.47 118.68 122.49 1a9x s LEU 5837Ca 0.62 2.71 0.06 0.00 -0.22 0.00 0.00 54.13 57.30 1a9x s LEU 5837Cb -0.17 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.85 1a9x s LEU 5837CO 0.51 -0.94 0.07 0.00 -1.32 0.00 0.00 176.35 174.68 1a9x n GLN 5838N 4.83 1.80 -3.62 1.98 1.13 0.25 -4.74 117.38 119.01 1a9x n GLN 5838Ca 0.16 -0.03 -0.16 0.00 -1.94 0.00 0.00 57.00 55.03 1a9x n GLN 5838Cb 0.38 -1.15 -0.07 0.00 0.11 0.00 0.00 30.24 29.51 1a9x n GLN 5838CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1a9x s GLY 5839N -3.27 -0.42 0.05 1.08 0.00 -0.56 0.20 107.32 104.39 1a9x s GLY 5839Ca -0.03 1.03 0.01 0.00 0.00 0.00 0.00 44.72 45.73 1a9x s GLY 5839CO 0.25 0.73 -0.05 -0.26 0.00 0.00 0.00 173.10 173.77 1a9x s ILE 5840N -1.05 0.37 -0.02 0.90 -4.36 -0.55 -1.39 121.20 115.10 1a9x s ILE 5840Ca -0.11 -1.35 -0.00 0.00 -0.26 0.00 0.00 60.65 58.93 1a9x s ILE 5840Cb -0.02 -0.91 0.02 0.00 1.25 0.00 0.00 42.46 42.80 1a9x s ILE 5840CO 0.07 -0.65 0.03 -2.28 0.24 0.00 0.00 174.94 172.36 1a9x s HIS 5841N -2.39 0.00 -0.05 1.37 2.46 -0.43 -1.37 115.29 114.87 1a9x s HIS 5841Ca -0.04 0.13 -0.30 0.00 0.47 0.00 0.00 55.06 55.32 1a9x s HIS 5841Cb -0.03 -0.16 -0.03 0.00 -0.13 0.00 0.00 32.58 32.23 1a9x s HIS 5841CO -0.03 -0.07 1.17 1.03 -2.47 0.00 0.00 174.74 174.36 1a9x s ARG 5842N 0.78 4.37 0.44 2.88 1.81 0.36 -0.04 118.95 129.55 1a9x s ARG 5842Ca -0.06 1.64 0.23 0.00 -1.72 0.00 0.00 55.73 55.81 1a9x s ARG 5842Cb -0.09 -3.53 0.98 0.00 -0.45 0.00 0.00 34.95 31.86 1a9x s ARG 5842CO -0.02 -0.40 1.86 1.79 -0.68 0.00 0.00 175.30 177.85 1a9x h THR 5843N 4.98 0.65 0.00 0.02 1.35 -0.36 -3.15 112.91 116.40 1a9x h THR 5843Ca -0.35 -1.08 -0.01 0.00 -0.55 0.00 0.00 66.41 64.43 1a9x h THR 5843Cb 1.17 1.70 -0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1a9x h THR 5843CO 0.87 0.23 -1.75 -0.90 -0.25 0.00 0.00 175.52 173.71 1a9x n ASP 5844N -3.50 1.26 -4.51 5.36 5.75 -1.26 -5.02 116.55 114.64 1a9x n ASP 5844Ca -0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 54.79 54.53 1a9x n ASP 5844Cb 0.40 1.72 -0.11 0.00 -1.03 0.00 0.00 41.12 42.11 1a9x n ASP 5844CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1a9x s LYS 5845N -3.12 1.74 -1.46 0.11 -0.14 -1.19 -5.02 119.74 110.67 1a9x s LYS 5845Ca -0.06 -1.92 -0.09 0.00 -1.36 0.00 0.00 55.97 52.54 1a9x s LYS 5845Cb 0.10 -1.42 0.03 0.00 -1.68 0.00 0.00 37.83 34.86 1a9x s LYS 5845CO 0.68 0.03 2.54 -0.35 -0.76 0.00 0.00 175.35 177.49 1a9x n PRO 5846N -0.75 3.88 -3.88 -1.68 -0.04 -1.26 -4.34 135.00 126.93 1a9x n PRO 5846Ca -0.05 -2.84 -0.19 0.00 -0.04 0.00 0.00 63.50 60.38 1a9x n PRO 5846Cb 0.64 -2.83 -0.17 0.00 -0.04 0.00 0.00 33.50 31.11 1a9x n PRO 5846CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a9x s ALA 5847N 0.98 0.41 0.26 0.55 0.00 -1.26 -0.87 121.76 121.83 1a9x s ALA 5847Ca 0.58 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.61 1a9x s ALA 5847Cb 0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1a9x s ALA 5847CO -0.07 -0.20 0.31 -0.59 0.00 0.00 0.00 175.76 175.21 1a9x s PHE 5848N 1.35 1.08 -0.12 0.00 -0.71 -0.52 -0.49 117.98 118.58 1a9x s PHE 5848Ca -0.05 -1.27 -0.31 0.00 -1.04 0.00 0.00 56.93 54.25 1a9x s PHE 5848Cb -0.13 -0.32 0.12 0.00 -1.21 0.00 0.00 43.02 41.48 1a9x s PHE 5848CO -0.02 -0.87 1.05 -1.54 -1.34 0.00 0.00 175.22 172.50 1a9x s SER 5849N -3.18 -0.27 -0.01 1.98 1.04 -0.47 -2.04 113.70 110.74 1a9x s SER 5849Ca 0.34 0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.89 1a9x s SER 5849Cb 0.03 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 1a9x s SER 5849CO 0.16 -0.40 -0.12 0.12 0.98 0.00 0.00 173.24 173.98 1a9x s PHE 5850N -2.37 1.07 0.10 5.02 5.36 -0.77 -1.48 117.98 124.92 1a9x s PHE 5850Ca 0.05 -0.20 -0.11 0.00 -0.96 0.00 0.00 56.93 55.71 1a9x s PHE 5850Cb -0.01 -0.69 -0.16 0.00 -0.34 0.00 0.00 43.02 41.82 1a9x s PHE 5850CO -0.05 -0.02 1.28 0.37 -1.46 0.00 0.00 175.22 175.34 1a9x h GLN 5851N 5.85 0.70 0.00 10.12 5.75 0.19 -3.39 115.11 134.33 1a9x h GLN 5851Ca -0.33 -0.65 -0.16 0.00 -0.15 0.00 0.00 58.65 57.36 1a9x h GLN 5851Cb 1.17 0.16 0.09 0.00 1.07 0.00 0.00 27.48 29.96 1a9x h GLN 5851CO 0.49 1.25 -0.00 0.41 -2.65 0.00 0.00 178.83 178.32 1a9x n GLY 5852N 0.84 -3.13 3.01 2.39 0.00 -1.26 -4.80 105.19 102.24 1a9x n GLY 5852Ca -0.08 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 1a9x n GLY 5852CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a9x s ASN 5853N -2.63 4.71 0.50 1.61 -0.87 -0.54 -4.93 114.94 112.79 1a9x s ASN 5853Ca 0.29 -2.25 0.26 0.00 -1.57 0.00 0.00 52.86 49.59 1a9x s ASN 5853Cb -0.04 -1.62 1.28 0.00 -0.02 0.00 0.00 41.25 40.85 1a9x s ASN 5853CO 0.23 -0.36 1.99 -0.65 -2.57 0.00 0.00 177.10 175.74 1a9x h PRO 5854N 7.49 0.00 0.00 -0.60 0.11 -1.86 -1.84 132.00 135.30 1a9x h PRO 5854Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1a9x h PRO 5854Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1a9x h PRO 5854CO 0.54 0.16 0.00 -0.85 -0.21 0.00 0.00 178.00 177.64 1a9x n GLU 5855N -3.56 0.03 0.00 1.05 0.00 -1.26 -3.62 120.64 113.28 1a9x n GLU 5855Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1a9x n GLU 5855Cb 0.30 -1.54 0.00 0.00 0.00 0.00 0.00 31.44 30.20 1a9x n GLU 5855CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a9x n ALA 5856N -1.53 0.00 -3.27 -1.84 0.00 -0.69 -4.84 120.51 108.33 1a9x n ALA 5856Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.43 1a9x n ALA 5856Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1a9x n ALA 5856CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1a9x n SER 5857N 3.85 -6.94 -4.96 0.00 2.88 -1.26 -4.74 113.62 102.45 1a9x n SER 5857Ca 0.00 -0.34 -0.22 0.00 -1.33 0.00 0.00 58.87 56.98 1a9x n SER 5857Cb 0.00 -4.28 0.04 0.00 -0.75 0.00 0.00 64.21 59.21 1a9x n SER 5857CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1a9x s PRO 5858N -3.61 2.56 0.00 -1.46 0.04 -1.26 -4.73 135.00 126.55 1a9x s PRO 5858Ca 0.02 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.39 1a9x s PRO 5858Cb -0.00 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1a9x s PRO 5858CO 0.79 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 177.51 1a9x n GLY 5859N -2.40 2.92 3.68 0.56 0.00 -1.26 -4.80 105.19 103.89 1a9x n GLY 5859Ca 0.07 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 1a9x n GLY 5859CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a9x n PRO 5860N -1.45 0.42 -0.14 1.61 -0.04 -1.26 -4.86 135.00 129.27 1a9x n PRO 5860Ca 0.00 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 1a9x n PRO 5860Cb 0.00 -2.41 0.28 0.00 -0.04 0.00 0.00 33.50 31.33 1a9x n PRO 5860CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1a9x n HIS 5861N -2.89 0.37 -0.34 0.54 8.25 -1.26 -4.63 115.22 115.26 1a9x n HIS 5861Ca 0.14 -0.19 0.17 0.00 -0.26 0.00 0.00 57.72 57.58 1a9x n HIS 5861Cb 0.50 0.00 0.38 0.00 1.12 0.00 0.00 29.99 31.99 1a9x n HIS 5861CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1a9x h ASP 5862N 3.42 0.68 -0.39 0.41 5.19 -1.91 -2.16 116.42 121.65 1a9x h ASP 5862Ca 0.00 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1a9x h ASP 5862Cb 0.75 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1a9x h ASP 5862CO 0.00 0.17 0.00 0.00 -3.12 0.00 0.00 179.24 176.29 1a9x n ALA 5863N -2.35 2.44 0.30 3.45 0.00 -1.26 -4.28 120.51 118.82 1a9x n ALA 5863Ca 0.25 -0.73 0.17 0.00 0.00 0.00 0.00 53.44 53.13 1a9x n ALA 5863Cb 0.70 -0.98 0.95 0.00 0.00 0.00 0.00 19.45 20.12 1a9x n ALA 5863CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x h ALA 5864N 3.87 1.33 0.00 0.00 0.00 -1.45 -1.97 119.26 121.04 1a9x h ALA 5864Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a9x h ALA 5864Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1a9x h ALA 5864CO 0.00 0.03 0.00 -2.30 0.00 0.00 0.00 179.25 176.98 1a9x n PRO 5865N -3.59 0.11 0.30 0.00 -0.02 -1.26 -1.48 135.00 129.05 1a9x n PRO 5865Ca -0.03 0.41 0.17 0.00 -2.02 0.00 0.00 63.50 62.03 1a9x n PRO 5865Cb 0.12 -1.74 0.94 0.00 -0.02 0.00 0.00 33.50 32.79 1a9x n PRO 5865CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1a9x h LEU 5866N 0.00 0.00 -0.90 2.45 4.07 -1.70 0.31 115.31 119.54 1a9x h LEU 5866Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 1a9x h LEU 5866Cb 0.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1a9x h LEU 5866CO 0.00 0.04 -0.23 -0.26 -1.08 0.00 0.00 178.44 176.91 1a9x h PHE 5867N 0.00 0.61 -0.09 1.13 0.04 -1.47 -3.17 116.94 113.99 1a9x h PHE 5867Ca -0.00 -0.13 0.02 0.00 2.80 0.00 0.00 57.97 60.66 1a9x h PHE 5867Cb 0.14 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1a9x h PHE 5867CO 0.00 0.73 -0.01 -0.44 -0.60 0.00 0.00 178.31 177.99 1a9x h ASP 5868N 0.49 -0.06 -1.03 2.17 3.32 -1.06 -2.56 116.42 117.68 1a9x h ASP 5868Ca 0.07 0.02 0.27 0.00 0.02 0.00 0.00 57.03 57.41 1a9x h ASP 5868Cb 0.66 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 40.18 1a9x h ASP 5868CO 0.05 -0.02 0.68 -0.74 -1.72 0.00 0.00 179.24 177.49 1a9x h HIS 5869N 0.01 0.49 0.03 4.55 2.76 -1.55 0.36 115.15 121.81 1a9x h HIS 5869Ca 0.04 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1a9x h HIS 5869Cb 0.06 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 28.87 1a9x h HIS 5869CO -0.13 0.06 -0.01 0.35 -1.30 0.00 0.00 177.93 176.90 1a9x h PHE 5870N 0.31 -0.03 -0.77 5.26 3.57 -1.51 -2.89 116.94 120.87 1a9x h PHE 5870Ca 0.56 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.17 1a9x h PHE 5870Cb 1.57 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 40.24 1a9x h PHE 5870CO -0.00 0.42 0.39 0.82 -2.23 0.00 0.00 178.31 177.71 1a9x h ILE 5871N -0.49 0.81 -0.42 1.41 1.08 -0.01 -1.24 117.51 118.65 1a9x h ILE 5871Ca -0.00 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 1a9x h ILE 5871Cb 0.47 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 1a9x h ILE 5871CO 0.01 0.11 0.26 -0.33 -0.69 0.00 0.00 178.15 177.51 1a9x h GLU 5872N 0.63 0.57 -0.51 2.37 5.08 -1.31 -0.70 114.58 120.71 1a9x h GLU 5872Ca 0.39 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.76 1a9x h GLU 5872Cb 0.46 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1a9x h GLU 5872CO -0.30 0.41 0.22 -0.07 -1.00 0.00 0.00 179.01 178.28 1a9x h LEU 5873N 0.56 0.28 -0.60 1.33 3.38 -1.11 0.38 115.31 119.53 1a9x h LEU 5873Ca 0.15 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1a9x h LEU 5873Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1a9x h LEU 5873CO -0.03 0.19 -0.11 0.40 0.09 0.00 0.00 178.44 178.98 1a9x h ILE 5874N 0.43 1.27 -0.27 1.22 2.04 -0.98 0.04 117.51 121.26 1a9x h ILE 5874Ca 0.24 -1.26 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 1a9x h ILE 5874Cb 0.21 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1a9x h ILE 5874CO -0.21 0.44 0.06 -0.33 0.00 0.00 0.00 178.15 178.12 1a9x h GLU 5875N 0.88 0.44 0.00 2.37 5.08 -0.29 0.04 114.58 123.10 1a9x h GLU 5875Ca 0.14 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1a9x h GLU 5875Cb 0.67 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1a9x h GLU 5875CO 0.05 0.54 -0.15 0.37 -1.00 0.00 0.00 179.01 178.81 1a9x h GLN 5876N 0.27 0.00 0.00 2.33 4.15 -0.10 0.38 115.11 122.14 1a9x h GLN 5876Ca 0.08 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.40 1a9x h GLN 5876Cb 0.30 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1a9x h GLN 5876CO 0.00 0.15 -0.48 -0.92 -1.93 0.00 0.00 178.83 175.66 1a9x h TYR 5877N 0.00 0.00 0.04 3.99 3.20 -0.63 -2.97 116.97 120.59 1a9x h TYR 5877Ca -0.00 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 1a9x h TYR 5877Cb 0.41 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1a9x h TYR 5877CO 0.00 0.48 -1.06 0.00 -1.64 0.00 0.00 178.16 175.94 1a9x h ARG 5878N 0.00 0.09 -0.76 1.82 3.08 0.11 -2.88 114.38 115.84 1a9x h ARG 5878Ca -0.00 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 59.97 1a9x h ARG 5878Cb 1.26 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.31 1a9x h ARG 5878CO 0.06 1.05 0.50 0.87 -1.07 0.00 0.00 179.97 181.38 1a9x h LYS 5879N 0.03 0.75 -0.02 0.04 1.57 -0.21 -3.51 116.57 115.22 1a9x h LYS 5879Ca -0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1a9x h LYS 5879Cb 1.80 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.95 1a9x h LYS 5879CO 0.15 0.50 0.00 2.41 -0.57 0.00 0.00 179.45 181.94