#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1js8 s ILE 2504N 0.00 4.86 -0.06 0.00 2.07 -0.60 -4.85 121.20 122.62 1js8 s ILE 2504Ca 0.00 1.70 -0.17 0.00 -1.41 0.00 0.00 60.65 60.77 1js8 s ILE 2504Cb 0.00 -4.15 -0.05 0.00 0.13 0.00 0.00 42.46 38.39 1js8 s ILE 2504CO 0.00 0.27 0.46 -0.63 -1.91 0.00 0.00 174.94 173.13 1js8 s ILE 2505N 0.50 5.10 -0.21 2.00 -1.09 -1.26 -1.25 121.20 124.99 1js8 s ILE 2505Ca 0.42 0.93 -0.07 0.00 -2.23 0.00 0.00 60.65 59.70 1js8 s ILE 2505Cb -0.20 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 1js8 s ILE 2505CO 0.23 0.43 0.06 -0.13 -1.23 0.00 0.00 174.94 174.29 1js8 s ARG 2506N -0.07 3.79 0.28 2.79 0.52 0.70 -0.78 118.95 126.18 1js8 s ARG 2506Ca 0.25 -0.42 0.06 0.00 -0.52 0.00 0.00 55.73 55.09 1js8 s ARG 2506Cb -0.16 -3.23 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 1js8 s ARG 2506CO 0.12 0.06 -0.03 -1.59 0.02 0.00 0.00 175.30 173.87 1js8 s LYS 2507N 0.95 1.55 0.09 3.54 -2.85 -1.26 -0.62 119.74 121.14 1js8 s LYS 2507Ca 0.03 -1.80 -0.32 0.00 -1.00 0.00 0.00 55.97 52.88 1js8 s LYS 2507Cb -0.14 -1.06 -0.11 0.00 -2.06 0.00 0.00 37.83 34.46 1js8 s LYS 2507CO 0.03 -0.02 1.81 -1.71 0.10 0.00 0.00 175.35 175.56 1js8 n ASN 2508N -0.59 3.79 -0.34 0.03 4.05 -1.26 -1.53 115.26 119.40 1js8 n ASN 2508Ca -0.05 1.00 0.23 0.00 0.45 0.00 0.00 54.58 56.21 1js8 n ASN 2508Cb 0.64 -1.50 0.50 0.00 1.23 0.00 0.00 39.78 40.66 1js8 n ASN 2508CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 177.26 173.84 1js8 h VAL 2509N 4.65 0.47 -0.14 3.44 -1.51 -1.70 0.13 116.25 121.59 1js8 h VAL 2509Ca -0.47 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1js8 h VAL 2509Cb 1.24 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1js8 h VAL 2509CO 0.94 0.07 0.00 -0.46 -1.23 0.00 0.00 177.57 176.89 1js8 n ASN 2510N -4.70 0.90 -0.16 4.19 0.23 -1.26 -2.69 115.26 111.76 1js8 n ASN 2510Ca 0.27 -2.02 0.05 0.00 -0.53 0.00 0.00 54.58 52.35 1js8 n ASN 2510Cb 0.92 -0.14 0.09 0.00 -2.08 0.00 0.00 39.78 38.56 1js8 n ASN 2510CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1js8 n SER 2511N -0.06 2.37 -4.74 0.53 3.41 0.47 -5.03 113.62 110.58 1js8 n SER 2511Ca 0.05 -2.46 -0.41 0.00 -0.26 0.00 0.00 58.87 55.79 1js8 n SER 2511Cb 0.16 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 1js8 n SER 2511CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1js8 s LEU 2512N -1.81 4.51 0.40 1.04 1.43 -1.09 -4.96 118.68 118.20 1js8 s LEU 2512Ca 0.17 2.01 -0.14 0.00 -1.03 0.00 0.00 54.13 55.14 1js8 s LEU 2512Cb 0.14 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 1js8 s LEU 2512CO 0.03 -0.14 0.82 0.42 0.23 0.00 0.00 176.35 177.72 1js8 s THR 2513N -0.33 4.66 0.54 5.49 -4.23 -1.26 -4.88 115.64 115.63 1js8 s THR 2513Ca 0.48 0.94 0.33 0.00 -1.18 0.00 0.00 61.69 62.25 1js8 s THR 2513Cb -0.28 -3.68 0.49 0.00 1.34 0.00 0.00 72.50 70.38 1js8 s THR 2513CO 0.34 -0.42 1.86 -0.65 -0.54 0.00 0.00 174.62 175.20 1js8 h PRO 2514N 1.58 0.00 -0.02 3.99 0.11 -1.99 0.32 132.00 135.99 1js8 h PRO 2514Ca -0.48 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.37 1js8 h PRO 2514Cb 1.18 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.31 1js8 h PRO 2514CO 0.64 0.00 -1.01 0.66 -0.21 0.00 0.00 178.00 178.08 1js8 h SER 2515N 0.00 0.92 -0.06 -2.05 4.64 -1.99 -1.82 113.55 113.20 1js8 h SER 2515Ca 0.45 -0.72 0.03 0.00 -0.47 0.00 0.00 61.79 61.08 1js8 h SER 2515Cb 1.83 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 63.60 1js8 h SER 2515CO -0.00 1.52 -0.18 0.44 -0.87 0.00 0.00 176.83 177.73 1js8 h ASP 2516N 0.42 -0.55 -0.43 4.97 3.32 -0.79 0.49 116.42 123.85 1js8 h ASP 2516Ca -0.12 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.06 1js8 h ASP 2516Cb 1.66 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 41.41 1js8 h ASP 2516CO 0.20 -0.24 0.19 0.40 -1.72 0.00 0.00 179.24 178.07 1js8 h ILE 2517N -0.27 0.93 -0.11 0.35 2.04 -1.19 -0.65 117.51 118.60 1js8 h ILE 2517Ca 0.08 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1js8 h ILE 2517Cb 0.37 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1js8 h ILE 2517CO -0.22 0.07 0.05 0.50 0.00 0.00 0.00 178.15 178.55 1js8 h LYS 2518N 0.38 0.16 -0.56 2.37 3.11 -0.91 -0.15 116.57 120.98 1js8 h LYS 2518Ca 0.19 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.00 1js8 h LYS 2518Cb 0.14 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.31 1js8 h LYS 2518CO -0.16 0.24 0.32 0.93 -2.81 0.00 0.00 179.45 177.97 1js8 h GLU 2519N 0.05 0.76 -0.15 1.90 4.39 -0.53 -0.19 114.58 120.80 1js8 h GLU 2519Ca 0.04 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1js8 h GLU 2519Cb 0.13 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1js8 h GLU 2519CO -0.00 0.54 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.19 1js8 h LEU 2520N 0.77 0.38 -0.95 1.33 3.38 -0.87 0.21 115.31 119.56 1js8 h LEU 2520Ca 0.20 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1js8 h LEU 2520Cb -0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1js8 h LEU 2520CO -0.04 0.77 0.32 0.03 0.09 0.00 0.00 178.44 179.61 1js8 h ARG 2521N -0.01 1.08 0.43 1.13 3.08 -0.65 0.52 114.38 119.96 1js8 h ARG 2521Ca 0.03 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1js8 h ARG 2521Cb 0.66 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1js8 h ARG 2521CO 0.03 0.86 -0.21 -0.44 -1.07 0.00 0.00 179.97 179.14 1js8 h ASP 2522N 1.06 -0.49 -0.89 7.04 3.32 -0.96 -0.58 116.42 124.92 1js8 h ASP 2522Ca 0.25 -0.09 0.16 0.00 0.02 0.00 0.00 57.03 57.38 1js8 h ASP 2522Cb 0.16 0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 1js8 h ASP 2522CO -0.03 -0.08 0.58 0.00 -1.72 0.00 0.00 179.24 177.99 1js8 h ALA 2523N -0.78 1.94 -0.21 3.45 0.00 -0.52 -0.50 119.26 122.63 1js8 h ALA 2523Ca -0.06 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1js8 h ALA 2523Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1js8 h ALA 2523CO 0.10 -0.21 -0.44 1.98 0.00 0.00 0.00 179.25 180.68 1js8 h MET 2524N 0.60 0.53 -0.37 0.00 1.85 -0.75 -1.31 114.93 115.48 1js8 h MET 2524Ca 0.46 -0.28 -0.07 0.00 -0.61 0.00 0.00 59.70 59.19 1js8 h MET 2524Cb 0.87 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.89 1js8 h MET 2524CO -0.20 0.87 -0.08 0.00 -0.40 0.00 0.00 176.91 177.09 1js8 h ALA 2525N 1.09 1.17 -0.04 0.39 0.00 0.50 -1.17 119.26 121.20 1js8 h ALA 2525Ca 0.03 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 1js8 h ALA 2525Cb 0.94 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1js8 h ALA 2525CO 0.08 0.53 -0.80 0.87 0.00 0.00 0.00 179.25 179.94 1js8 h LYS 2526N 0.58 0.36 -0.25 0.00 1.57 -1.04 -2.21 116.57 115.58 1js8 h LYS 2526Ca 0.11 -0.33 -0.13 0.00 -1.87 0.00 0.00 60.65 58.43 1js8 h LYS 2526Cb 0.49 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1js8 h LYS 2526CO 0.03 0.99 -0.40 0.28 -0.57 0.00 0.00 179.45 179.77 1js8 h VAL 2527N 0.23 1.30 0.00 0.50 2.07 -1.02 -1.93 116.25 117.40 1js8 h VAL 2527Ca -0.04 -1.56 -0.07 0.00 0.82 0.00 0.00 66.70 65.84 1js8 h VAL 2527Cb 1.39 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1js8 h VAL 2527CO 0.13 0.49 -0.34 1.56 0.02 0.00 0.00 177.57 179.43 1js8 h GLN 2528N 0.48 0.00 0.00 1.57 4.20 -1.03 -1.48 115.11 118.85 1js8 h GLN 2528Ca 0.04 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1js8 h GLN 2528Cb 0.90 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1js8 h GLN 2528CO 0.08 0.34 -0.96 0.00 -0.67 0.00 0.00 178.83 177.62 1js8 h ALA 2529N 1.66 0.59 -2.28 3.87 0.00 -1.29 -3.44 119.26 118.36 1js8 h ALA 2529Ca -0.00 -0.20 -0.55 0.00 0.00 0.00 0.00 54.91 54.16 1js8 h ALA 2529Cb 0.74 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1js8 h ALA 2529CO 0.04 0.22 1.08 0.34 0.00 0.00 0.00 179.25 180.93 1js8 s ASP 2530N -5.58 6.67 0.00 0.00 -1.08 -0.74 -4.92 116.67 111.02 1js8 s ASP 2530Ca -0.00 2.25 0.23 0.00 -0.52 0.00 0.00 52.55 54.51 1js8 s ASP 2530Cb 0.09 -2.54 0.72 0.00 -1.46 0.00 0.00 42.92 39.73 1js8 s ASP 2530CO 0.78 -0.92 1.54 0.35 0.52 0.00 0.00 175.17 177.45 1js8 n THR 2531N 5.41 0.19 -1.47 1.71 -2.24 -1.26 -4.06 114.28 112.57 1js8 n THR 2531Ca 0.17 -0.40 -0.26 0.00 -2.27 0.00 0.00 64.05 61.29 1js8 n THR 2531Cb 0.43 0.58 0.20 0.00 -2.10 0.00 0.00 70.33 69.43 1js8 n THR 2531CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1js8 n SER 2532N 0.55 -0.74 0.00 3.42 3.41 -1.26 -4.87 113.62 114.13 1js8 n SER 2532Ca 0.17 -1.28 0.08 0.00 -0.26 0.00 0.00 58.87 57.58 1js8 n SER 2532Cb 0.40 -0.88 0.42 0.00 -0.26 0.00 0.00 64.21 63.89 1js8 n SER 2532CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1js8 n ASP 2533N -4.11 0.00 -0.47 4.04 8.00 -1.26 -1.55 116.55 121.20 1js8 n ASP 2533Ca 0.14 -0.12 0.06 0.00 0.71 0.00 0.00 54.79 55.58 1js8 n ASP 2533Cb 0.51 -0.20 0.14 0.00 -0.02 0.00 0.00 41.12 41.55 1js8 n ASP 2533CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1js8 n ASN 2534N -1.20 2.87 -4.84 -2.24 2.85 -1.26 -4.59 115.26 106.85 1js8 n ASN 2534Ca 0.09 -2.41 -0.23 0.00 -0.11 0.00 0.00 54.58 51.91 1js8 n ASN 2534Cb 0.10 -0.29 0.07 0.00 1.24 0.00 0.00 39.78 40.91 1js8 n ASN 2534CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1js8 s GLY 2535N -1.50 1.77 0.10 8.20 0.00 -0.59 -4.85 107.32 110.45 1js8 s GLY 2535Ca 0.24 -1.35 -0.29 0.00 0.00 0.00 0.00 44.72 43.33 1js8 s GLY 2535CO 0.09 -0.93 1.63 -1.82 0.00 0.00 0.00 173.10 172.06 1js8 h TYR 2536N -0.33 -0.80 -0.56 1.90 3.20 -1.41 -2.39 116.97 116.58 1js8 h TYR 2536Ca -0.41 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.56 1js8 h TYR 2536Cb 1.29 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.85 1js8 h TYR 2536CO 0.14 -0.42 0.38 1.96 -1.64 0.00 0.00 178.16 178.58 1js8 h GLN 2537N -0.58 0.37 -0.03 1.82 1.08 -1.86 0.19 115.11 116.11 1js8 h GLN 2537Ca 0.01 -0.02 -0.16 0.00 -1.45 0.00 0.00 58.65 57.02 1js8 h GLN 2537Cb 0.56 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1js8 h GLN 2537CO -0.11 0.25 -0.60 -0.22 -0.95 0.00 0.00 178.83 177.20 1js8 h LYS 2538N 0.38 0.46 -0.04 1.46 1.63 -1.79 -2.75 116.57 115.92 1js8 h LYS 2538Ca 0.26 -0.45 -0.01 0.00 -0.85 0.00 0.00 60.65 59.59 1js8 h LYS 2538Cb 0.51 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1js8 h LYS 2538CO -0.07 1.10 -0.03 0.82 -3.45 0.00 0.00 179.45 177.83 1js8 h ILE 2539N -0.01 1.35 -0.66 2.00 2.04 -0.89 -3.05 117.51 118.29 1js8 h ILE 2539Ca -0.07 -1.08 0.17 0.00 1.00 0.00 0.00 64.86 64.88 1js8 h ILE 2539Cb 1.29 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 39.32 1js8 h ILE 2539CO 0.12 0.29 0.46 0.00 0.00 0.00 0.00 178.15 179.02 1js8 h ALA 2540N 0.58 2.46 0.00 1.87 0.00 -0.73 -0.17 119.26 123.26 1js8 h ALA 2540Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1js8 h ALA 2540Cb 0.49 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1js8 h ALA 2540CO 0.01 -0.64 -0.09 0.77 0.00 0.00 0.00 179.25 179.30 1js8 h SER 2541N 0.11 0.00 -0.10 0.00 0.02 -1.37 -2.67 113.55 109.55 1js8 h SER 2541Ca 0.32 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.29 1js8 h SER 2541Cb 1.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1js8 h SER 2541CO -0.04 0.09 0.07 1.88 -1.14 0.00 0.00 176.83 177.69 1js8 h TYR 2542N 0.00 0.00 0.02 3.45 -1.99 -1.07 -3.34 116.97 114.04 1js8 h TYR 2542Ca -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1js8 h TYR 2542Cb 0.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.00 1js8 h TYR 2542CO 0.00 0.00 -0.01 1.25 -0.00 0.00 0.00 178.16 179.40 1js8 h HIS 2543N 0.00 -0.02 0.00 4.88 2.76 -1.65 -3.31 115.15 117.81 1js8 h HIS 2543Ca 0.05 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1js8 h HIS 2543Cb 0.19 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1js8 h HIS 2543CO 0.00 -0.01 0.00 0.41 -1.30 0.00 0.00 177.93 177.03 1js8 n GLY 2544N 1.65 1.33 3.87 5.26 0.00 -1.25 -2.01 105.19 114.03 1js8 n GLY 2544Ca -0.00 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1js8 n GLY 2544CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1js8 s ILE 2545N 1.51 5.24 0.22 -0.61 -5.25 -1.08 -2.89 121.20 118.34 1js8 s ILE 2545Ca 0.00 -0.20 -0.30 0.00 -0.99 0.00 0.00 60.65 59.16 1js8 s ILE 2545Cb 0.00 -3.43 -0.09 0.00 2.95 0.00 0.00 42.46 41.89 1js8 s ILE 2545CO 0.00 0.35 1.38 -2.16 -1.79 0.00 0.00 174.94 172.72 1js8 s PRO 2546N -1.82 4.32 -0.27 0.37 0.04 -1.26 -4.60 135.00 131.79 1js8 s PRO 2546Ca 0.25 2.18 -0.40 0.00 0.04 0.00 0.00 61.00 63.08 1js8 s PRO 2546Cb -0.12 -3.15 -0.15 0.00 0.04 0.00 0.00 34.50 31.11 1js8 s PRO 2546CO 0.16 -0.35 1.77 1.28 0.04 0.00 0.00 177.00 179.91 1js8 n LEU 2547N 2.57 2.50 -0.57 -3.56 4.77 -1.14 -4.79 117.00 116.78 1js8 n LEU 2547Ca 0.07 1.06 0.05 0.00 -0.03 0.00 0.00 56.01 57.16 1js8 n LEU 2547Cb 0.41 -1.16 0.13 0.00 -2.33 0.00 0.00 43.42 40.47 1js8 n LEU 2547CO 0.59 -0.39 0.59 -1.20 -1.33 0.00 0.00 177.39 175.66 1js8 n SER 2548N 5.59 2.72 -4.33 -1.43 7.64 -1.24 -4.85 113.62 117.72 1js8 n SER 2548Ca 0.26 -1.92 -0.23 0.00 1.01 0.00 0.00 58.87 57.99 1js8 n SER 2548Cb 0.15 -0.19 -0.12 0.00 -1.01 0.00 0.00 64.21 63.04 1js8 n SER 2548CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1js8 s HIS 2550N -1.67 0.51 0.69 0.00 0.09 -1.26 -1.08 115.29 112.57 1js8 s HIS 2550Ca 0.13 -0.18 -0.11 0.00 -0.00 0.00 0.00 55.06 54.90 1js8 s HIS 2550Cb -0.08 -0.32 0.00 0.00 -0.00 0.00 0.00 32.58 32.19 1js8 s HIS 2550CO 0.06 -0.02 1.07 0.71 -0.00 0.00 0.00 174.74 176.56 1js8 s TYR 2551N -0.39 3.32 0.59 1.40 2.02 0.16 -4.90 117.35 119.55 1js8 s TYR 2551Ca -0.01 1.17 0.29 0.00 -0.37 0.00 0.00 57.07 58.16 1js8 s TYR 2551Cb -0.04 -2.95 1.46 0.00 -0.40 0.00 0.00 41.96 40.03 1js8 s TYR 2551CO -0.00 -1.12 1.87 0.93 -1.57 0.00 0.00 175.55 175.66 1js8 h GLU 2552N -0.62 0.00 -0.61 -0.62 3.07 -2.01 0.61 114.58 114.40 1js8 h GLU 2552Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 1js8 h GLU 2552Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1js8 h GLU 2552CO 0.62 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 178.50 1js8 n ASN 2553N -3.68 3.43 0.00 1.42 6.94 -1.26 -4.93 115.26 117.18 1js8 n ASN 2553Ca 0.09 -2.10 0.00 0.00 -0.02 0.00 0.00 54.58 52.55 1js8 n ASN 2553Cb 0.71 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 1js8 n ASN 2553CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1js8 n GLY 2554N 1.33 1.79 3.73 4.83 0.00 0.21 -5.02 105.19 112.06 1js8 n GLY 2554Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1js8 n GLY 2554CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1js8 s THR 2555N -2.78 4.50 0.41 2.61 2.01 -1.26 -4.72 115.64 116.40 1js8 s THR 2555Ca 0.00 2.03 -0.09 0.00 0.31 0.00 0.00 61.69 63.94 1js8 s THR 2555Cb 0.00 -4.30 -0.06 0.00 0.01 0.00 0.00 72.50 68.15 1js8 s THR 2555CO 0.00 0.29 0.75 0.00 -0.69 0.00 0.00 174.62 174.97 1js8 s ALA 2556N 0.13 3.39 0.09 7.40 0.00 -1.26 0.39 121.76 131.90 1js8 s ALA 2556Ca 0.48 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 1js8 s ALA 2556Cb -0.24 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.26 1js8 s ALA 2556CO 0.30 -0.05 0.27 1.52 0.00 0.00 0.00 175.76 177.79 1js8 s TYR 2557N -2.42 0.01 0.21 0.00 1.13 -0.24 -4.93 117.35 111.12 1js8 s TYR 2557Ca 0.50 -0.37 -0.30 0.00 -1.41 0.00 0.00 57.07 55.48 1js8 s TYR 2557Cb -0.10 0.05 -0.09 0.00 -1.10 0.00 0.00 41.96 40.72 1js8 s TYR 2557CO 0.34 -0.58 1.34 0.00 -2.51 0.00 0.00 175.55 174.13 1js8 s ALA 2558N -3.67 3.55 -0.02 9.51 0.00 -0.92 -2.60 121.76 127.61 1js8 s ALA 2558Ca 0.03 1.16 0.23 0.00 0.00 0.00 0.00 51.96 53.38 1js8 s ALA 2558Cb 0.03 -3.50 0.72 0.00 0.00 0.00 0.00 23.12 20.37 1js8 s ALA 2558CO -0.10 -0.58 1.74 0.00 0.00 0.00 0.00 175.76 176.81 1js8 s GLN 2561N 0.61 3.69 0.12 0.00 -0.21 -1.26 -4.82 119.66 117.80 1js8 s GLN 2561Ca 0.68 0.10 0.04 0.00 0.02 0.00 0.00 55.36 56.21 1js8 s GLN 2561Cb -0.46 -3.81 -0.04 0.00 1.00 0.00 0.00 33.01 29.71 1js8 s GLN 2561CO 0.36 -0.75 -0.10 -1.01 -2.12 0.00 0.00 175.29 171.67 1js8 s HIS 2562N 2.77 1.18 -1.26 0.91 3.76 -1.26 -4.25 115.29 117.14 1js8 s HIS 2562Ca 0.26 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 1js8 s HIS 2562Cb -0.14 -0.62 0.00 0.00 1.11 0.00 0.00 32.58 32.93 1js8 s HIS 2562CO 0.15 0.04 0.00 0.41 -0.85 0.00 0.00 174.74 174.49 1js8 n GLY 2563N 0.19 0.85 3.24 -2.22 0.00 -1.26 -4.84 105.19 101.15 1js8 n GLY 2563Ca -0.13 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 1js8 n GLY 2563CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1js8 s MET 2564N -3.59 0.91 0.65 1.61 0.00 -1.26 -3.94 119.30 113.68 1js8 s MET 2564Ca 0.00 -0.85 0.42 0.00 0.00 0.00 0.00 55.69 55.25 1js8 s MET 2564Cb 0.00 0.38 2.29 0.00 0.00 0.00 0.00 34.83 37.50 1js8 s MET 2564CO 0.00 -0.31 2.34 -0.24 0.00 0.00 0.00 175.02 176.81 1js8 h VAL 2565N 2.67 0.11 -0.34 5.16 3.04 -1.97 -2.46 116.25 122.45 1js8 h VAL 2565Ca -0.34 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1js8 h VAL 2565Cb 1.22 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 1js8 h VAL 2565CO 0.53 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.44 1js8 n THR 2566N -3.23 0.45 -0.15 3.17 -2.24 -1.26 -4.30 114.28 106.72 1js8 n THR 2566Ca -0.03 -0.51 -0.05 0.00 -2.27 0.00 0.00 64.05 61.19 1js8 n THR 2566Cb 0.08 0.36 0.04 0.00 -2.10 0.00 0.00 70.33 68.71 1js8 n THR 2566CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1js8 h PHE 2567N 2.55 0.44 -0.27 4.78 3.04 -1.62 0.30 116.94 126.16 1js8 h PHE 2567Ca 0.00 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1js8 h PHE 2567Cb 0.57 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 1js8 h PHE 2567CO 0.23 0.22 0.12 -1.35 -2.02 0.00 0.00 178.31 175.51 1js8 h PRO 2568N 0.47 0.39 0.33 6.41 0.11 -1.85 -2.28 132.00 135.59 1js8 h PRO 2568Ca 0.20 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 1js8 h PRO 2568Cb 0.10 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1js8 h PRO 2568CO -0.14 0.40 -0.34 -0.91 -0.21 0.00 0.00 178.00 176.81 1js8 h ASN 2569N 0.29 -0.91 -0.45 -2.05 2.35 -1.78 0.32 115.58 113.35 1js8 h ASN 2569Ca 0.09 0.08 0.07 0.00 -0.55 0.00 0.00 56.30 55.99 1js8 h ASN 2569Cb 0.15 0.31 -0.06 0.00 0.05 0.00 0.00 38.32 38.77 1js8 h ASN 2569CO -0.01 -0.47 0.10 -0.25 -1.65 0.00 0.00 177.43 175.15 1js8 h TRP 2570N -0.70 0.17 0.00 1.19 7.01 -0.95 -1.53 115.95 121.15 1js8 h TRP 2570Ca -0.02 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.01 1js8 h TRP 2570Cb 0.63 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.69 1js8 h TRP 2570CO -0.20 0.02 0.00 0.45 -2.79 0.00 0.00 178.44 175.92 1js8 h HIS 2571N 0.24 0.00 -0.24 2.65 3.86 -1.22 -2.49 115.15 117.95 1js8 h HIS 2571Ca 0.22 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.23 1js8 h HIS 2571Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1js8 h HIS 2571CO -0.20 0.00 -0.63 -0.09 0.86 0.00 0.00 177.93 177.87 1js8 h ARG 2572N 0.00 0.85 -0.35 2.45 2.43 0.10 -2.59 114.38 117.27 1js8 h ARG 2572Ca 0.00 -0.59 -0.16 0.00 -0.81 0.00 0.00 59.98 58.42 1js8 h ARG 2572Cb 0.62 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1js8 h ARG 2572CO 0.00 1.22 -0.40 -0.07 -1.51 0.00 0.00 179.97 179.21 1js8 h LEU 2573N 0.63 0.95 -0.95 3.80 3.38 -1.26 -2.62 115.31 119.25 1js8 h LEU 2573Ca -0.01 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 1js8 h LEU 2573Cb 1.25 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1js8 h LEU 2573CO 0.14 1.24 0.14 0.25 0.09 0.00 0.00 178.44 180.30 1js8 h LEU 2574N 0.69 0.85 -0.74 1.67 5.85 -1.47 0.13 115.31 122.29 1js8 h LEU 2574Ca 0.05 -0.16 -0.13 0.00 0.84 0.00 0.00 57.88 58.48 1js8 h LEU 2574Cb 0.99 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1js8 h LEU 2574CO 0.10 0.83 -0.47 0.74 -0.34 0.00 0.00 178.44 179.29 1js8 h THR 2575N 0.88 1.33 -0.13 1.05 2.02 -1.48 -2.58 112.91 113.99 1js8 h THR 2575Ca 0.19 -1.68 -0.17 0.00 0.77 0.00 0.00 66.41 65.52 1js8 h THR 2575Cb 0.31 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1js8 h THR 2575CO -0.00 0.51 -0.63 0.50 0.37 0.00 0.00 175.52 176.27 1js8 h LYS 2576N 0.30 0.48 -0.46 6.66 1.63 -1.17 -1.49 116.57 122.52 1js8 h LYS 2576Ca 0.02 -0.34 -0.03 0.00 -0.85 0.00 0.00 60.65 59.45 1js8 h LYS 2576Cb 0.95 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.61 1js8 h LYS 2576CO 0.08 0.96 0.18 0.37 -3.45 0.00 0.00 179.45 177.59 1js8 h GLN 2577N 0.35 0.70 -0.13 1.90 5.75 -0.81 -1.22 115.11 121.66 1js8 h GLN 2577Ca -0.01 -0.13 -0.14 0.00 -0.15 0.00 0.00 58.65 58.22 1js8 h GLN 2577Cb 1.18 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1js8 h GLN 2577CO 0.11 0.64 -0.54 1.98 -2.65 0.00 0.00 178.83 178.37 1js8 h MET 2578N 0.61 0.37 0.14 1.69 4.05 -1.39 -3.10 114.93 117.30 1js8 h MET 2578Ca 0.15 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1js8 h MET 2578Cb 0.20 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1js8 h MET 2578CO -0.01 0.82 -0.07 1.49 0.23 0.00 0.00 176.91 179.37 1js8 h GLU 2579N 0.29 -0.18 -0.91 0.39 4.81 -0.81 -2.68 114.58 115.50 1js8 h GLU 2579Ca 0.01 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.38 1js8 h GLU 2579Cb 1.04 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.38 1js8 h GLU 2579CO 0.09 0.06 0.53 -0.44 -0.73 0.00 0.00 179.01 178.52 1js8 h ASP 2580N -0.40 0.72 -0.39 1.04 3.32 -1.27 -1.12 116.42 118.33 1js8 h ASP 2580Ca -0.02 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1js8 h ASP 2580Cb 0.32 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1js8 h ASP 2580CO 0.03 0.35 0.10 0.00 -1.72 0.00 0.00 179.24 178.01 1js8 h ALA 2581N 1.54 1.32 -0.16 3.45 0.00 -1.45 0.36 119.26 124.32 1js8 h ALA 2581Ca 0.47 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.98 1js8 h ALA 2581Cb 0.56 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1js8 h ALA 2581CO -0.30 0.48 -0.73 -0.07 0.00 0.00 0.00 179.25 178.63 1js8 h LEU 2582N 0.67 0.91 -0.94 0.00 3.38 -0.94 -2.17 115.31 116.21 1js8 h LEU 2582Ca 0.15 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 1js8 h LEU 2582Cb 0.27 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1js8 h LEU 2582CO -0.00 1.38 -0.03 0.58 0.09 0.00 0.00 178.44 180.47 1js8 h VAL 2583N 0.49 1.24 0.00 1.22 2.07 -0.99 0.19 116.25 120.46 1js8 h VAL 2583Ca -0.05 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 1js8 h VAL 2583Cb 1.36 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1js8 h VAL 2583CO 0.15 0.35 -0.20 0.00 0.02 0.00 0.00 177.57 177.89 1js8 h ALA 2584N 1.28 1.11 -0.50 1.67 0.00 -0.76 -1.90 119.26 120.16 1js8 h ALA 2584Ca 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1js8 h ALA 2584Cb 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1js8 h ALA 2584CO 0.02 0.25 0.03 1.63 0.00 0.00 0.00 179.25 181.19 1js8 n LYS 2585N -3.49 4.13 0.00 0.00 4.76 -0.83 -4.90 118.16 117.83 1js8 n LYS 2585Ca -0.01 -2.62 0.00 0.00 -2.87 0.00 0.00 58.31 52.82 1js8 n LYS 2585Cb 0.37 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 1js8 n LYS 2585CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1js8 n GLY 2586N 0.44 0.97 3.75 0.72 0.00 -0.72 -4.34 105.19 106.01 1js8 n GLY 2586Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1js8 n GLY 2586CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1js8 s SER 2587N -1.89 6.58 0.00 1.61 0.15 0.60 -4.86 113.70 115.89 1js8 s SER 2587Ca 0.00 2.76 0.20 0.00 0.70 0.00 0.00 55.95 59.61 1js8 s SER 2587Cb 0.00 -2.63 0.19 0.00 -1.71 0.00 0.00 66.02 61.87 1js8 s SER 2587CO 0.00 -0.74 1.16 0.00 1.20 0.00 0.00 173.24 174.86 1js8 n HIS 2588N 1.99 0.08 -4.22 3.44 1.44 -1.26 -4.40 115.22 112.29 1js8 n HIS 2588Ca 0.06 -0.05 -0.19 0.00 -2.01 0.00 0.00 57.72 55.53 1js8 n HIS 2588Cb 0.40 -0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.38 1js8 n HIS 2588CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1js8 s VAL 2589N -1.61 1.12 1.13 0.61 0.11 -1.26 -4.80 120.40 115.70 1js8 s VAL 2589Ca 0.25 -1.23 -0.19 0.00 -2.93 0.00 0.00 61.98 57.88 1js8 s VAL 2589Cb 0.17 -1.06 0.27 0.00 -1.53 0.00 0.00 36.38 34.23 1js8 s VAL 2589CO 0.25 -0.17 1.23 -0.83 -3.33 0.00 0.00 175.10 172.26 1js8 s GLY 2590N -1.59 1.70 -0.05 6.54 0.00 0.04 -4.85 107.32 109.11 1js8 s GLY 2590Ca -0.01 -1.20 -0.30 0.00 0.00 0.00 0.00 44.72 43.21 1js8 s GLY 2590CO 0.02 -0.31 1.74 -0.42 0.00 0.00 0.00 173.10 174.13 1js8 s ILE 2591N -3.47 3.44 0.61 0.90 1.01 -1.26 -4.73 121.20 117.69 1js8 s ILE 2591Ca 0.74 0.53 -0.16 0.00 0.00 0.00 0.00 60.65 61.76 1js8 s ILE 2591Cb -0.05 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1js8 s ILE 2591CO 0.55 -0.07 1.08 -2.16 0.00 0.00 0.00 174.94 174.34 1js8 s PRO 2592N 4.27 3.19 -0.14 2.79 0.04 -1.26 -4.42 135.00 139.46 1js8 s PRO 2592Ca 0.78 1.29 -0.07 0.00 0.04 0.00 0.00 61.00 63.03 1js8 s PRO 2592Cb -0.35 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1js8 s PRO 2592CO 0.32 -0.93 0.12 1.52 0.04 0.00 0.00 177.00 178.08 1js8 s TYR 2593N -2.36 3.49 -0.54 0.56 -0.85 -0.58 -4.43 117.35 112.64 1js8 s TYR 2593Ca 0.65 0.42 -0.20 0.00 -0.52 0.00 0.00 57.07 57.43 1js8 s TYR 2593Cb -0.18 -2.00 0.07 0.00 0.38 0.00 0.00 41.96 40.23 1js8 s TYR 2593CO 0.37 0.56 0.70 -0.46 -1.52 0.00 0.00 175.55 175.20 1js8 s TRP 2594N -0.56 2.99 -1.15 -3.49 -0.00 -0.66 -1.94 118.94 114.13 1js8 s TRP 2594Ca 0.12 -0.58 -0.22 0.00 -0.00 0.00 0.00 56.10 55.42 1js8 s TRP 2594Cb -0.12 -3.74 -0.04 0.00 -0.00 0.00 0.00 33.47 29.56 1js8 s TRP 2594CO 0.02 -1.16 1.87 0.34 -0.00 0.00 0.00 176.95 178.02 1js8 s ASP 2595N 2.98 5.46 0.00 5.86 2.15 -1.26 -4.67 116.67 127.19 1js8 s ASP 2595Ca 0.16 -1.63 0.25 0.00 0.43 0.00 0.00 52.55 51.76 1js8 s ASP 2595Cb -0.19 -2.58 1.44 0.00 -0.30 0.00 0.00 42.92 41.28 1js8 s ASP 2595CO 0.11 -2.58 1.87 -2.67 -0.17 0.00 0.00 175.17 171.72 1js8 n TRP 2596N 12.90 0.00 0.79 -5.34 4.27 -1.26 -2.83 117.44 125.97 1js8 n TRP 2596Ca 0.44 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 54.18 1js8 n TRP 2596Cb 0.47 -0.09 0.42 0.00 -1.36 0.00 0.00 31.31 30.75 1js8 n TRP 2596CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 1js8 n THR 2597N -1.09 0.29 -3.39 -1.67 -2.24 -1.26 -4.69 114.28 100.23 1js8 n THR 2597Ca 0.17 -0.16 -0.38 0.00 -2.27 0.00 0.00 64.05 61.42 1js8 n THR 2597Cb 0.12 -0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 67.89 1js8 n THR 2597CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1js8 s THR 2598N -3.07 5.15 0.24 4.28 2.01 -1.13 -3.89 115.64 119.24 1js8 s THR 2598Ca 0.11 0.87 -0.30 0.00 0.31 0.00 0.00 61.69 62.68 1js8 s THR 2598Cb 0.15 -3.76 -0.14 0.00 0.01 0.00 0.00 72.50 68.75 1js8 s THR 2598CO 0.60 0.41 1.14 0.41 -0.69 0.00 0.00 174.62 176.49 1js8 n THR 2599N 3.14 1.45 -3.81 -0.82 -1.04 -1.26 -5.00 114.28 106.94 1js8 n THR 2599Ca -0.10 -0.36 -0.12 0.00 -2.04 0.00 0.00 64.05 61.43 1js8 n THR 2599Cb 0.52 -1.05 -0.12 0.00 -1.82 0.00 0.00 70.33 67.86 1js8 n THR 2599CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1js8 s PHE 2600N -0.60 -0.20 -2.55 -1.42 -0.12 -1.26 -5.03 117.98 106.79 1js8 s PHE 2600Ca 0.65 0.48 0.25 0.00 -0.05 0.00 0.00 56.93 58.26 1js8 s PHE 2600Cb -0.74 0.07 0.36 0.00 -0.63 0.00 0.00 43.02 42.08 1js8 s PHE 2600CO 0.56 -0.12 1.34 0.00 -0.05 0.00 0.00 175.22 176.95 1js8 n ALA 2601N 2.87 2.81 -3.50 1.99 0.00 -1.26 -4.70 120.51 118.71 1js8 n ALA 2601Ca -0.13 -0.61 -0.08 0.00 0.00 0.00 0.00 53.44 52.62 1js8 n ALA 2601Cb 0.58 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 1js8 n ALA 2601CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1js8 s ASN 2602N -2.16 -0.37 0.70 0.00 2.20 -1.26 -4.98 114.94 109.06 1js8 s ASN 2602Ca 0.27 -0.01 -0.16 0.00 -0.94 0.00 0.00 52.86 52.03 1js8 s ASN 2602Cb 0.20 0.40 0.02 0.00 -2.00 0.00 0.00 41.25 39.87 1js8 s ASN 2602CO 0.39 -0.65 1.20 -0.76 -2.94 0.00 0.00 177.10 174.34 1js8 s LEU 2603N -2.51 3.38 0.47 3.54 1.43 -1.26 -4.92 118.68 118.81 1js8 s LEU 2603Ca 0.05 2.32 -0.24 0.00 -1.03 0.00 0.00 54.13 55.22 1js8 s LEU 2603Cb -0.01 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.55 1js8 s LEU 2603CO -0.09 -2.07 1.37 -2.16 0.23 0.00 0.00 176.35 173.63 1js8 s PRO 2604N -3.84 3.58 0.32 1.29 0.04 -1.26 -4.84 135.00 130.29 1js8 s PRO 2604Ca 0.74 2.28 0.07 0.00 0.04 0.00 0.00 61.00 64.13 1js8 s PRO 2604Cb -0.28 -2.54 0.78 0.00 0.04 0.00 0.00 34.50 32.49 1js8 s PRO 2604CO 0.43 -0.85 1.81 0.28 0.04 0.00 0.00 177.00 178.70 1js8 h VAL 2605N 2.05 0.75 -0.99 -0.36 2.07 -1.98 -1.80 116.25 115.99 1js8 h VAL 2605Ca -0.51 -0.25 0.31 0.00 0.82 0.00 0.00 66.70 67.07 1js8 h VAL 2605Cb 1.27 -0.06 -0.15 0.00 -1.52 0.00 0.00 31.29 30.84 1js8 h VAL 2605CO 0.60 0.13 0.54 0.25 0.02 0.00 0.00 177.57 179.11 1js8 h LEU 2606N 0.74 0.47 0.00 2.57 5.85 -1.96 -0.27 115.31 122.71 1js8 h LEU 2606Ca 0.54 0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.45 1js8 h LEU 2606Cb 0.87 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1js8 h LEU 2606CO -0.31 -0.13 -1.14 1.33 -0.34 0.00 0.00 178.44 177.84 1js8 n VAL 2607N -5.07 0.01 0.02 1.05 0.24 -0.69 -4.51 118.33 109.38 1js8 n VAL 2607Ca 0.31 -0.09 0.01 0.00 -2.04 0.00 0.00 64.34 62.53 1js8 n VAL 2607Cb 0.95 0.79 -0.09 0.00 -1.47 0.00 0.00 33.84 34.02 1js8 n VAL 2607CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1js8 n THR 2608N -1.64 1.05 -1.77 3.34 -2.24 -0.15 -3.99 114.28 108.89 1js8 n THR 2608Ca 0.03 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.71 1js8 n THR 2608Cb 0.37 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1js8 n THR 2608CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1js8 s GLU 2609N -2.98 4.15 0.07 -0.78 2.02 -0.98 -4.91 118.70 115.29 1js8 s GLU 2609Ca -0.04 2.52 -0.09 0.00 0.02 0.00 0.00 54.97 57.38 1js8 s GLU 2609Cb 0.09 -3.71 -0.25 0.00 0.10 0.00 0.00 34.13 30.36 1js8 s GLU 2609CO 0.82 -0.84 1.15 0.93 0.02 0.00 0.00 175.26 177.34 1js8 h GLU 2610N 8.90 0.45 -6.07 1.61 5.08 -1.93 -3.42 114.58 119.20 1js8 h GLU 2610Ca -0.45 -0.64 -0.57 0.00 -1.00 0.00 0.00 59.36 56.69 1js8 h GLU 2610Cb 1.21 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.63 1js8 h GLU 2610CO 0.94 1.28 0.45 0.15 -1.00 0.00 0.00 179.01 180.83 1js8 s LYS 2611N -2.88 4.35 -1.30 2.33 1.02 -1.26 -4.24 119.74 117.75 1js8 s LYS 2611Ca -0.07 1.16 -0.17 0.00 0.02 0.00 0.00 55.97 56.91 1js8 s LYS 2611Cb 0.07 -3.56 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 1js8 s LYS 2611CO 0.90 -0.31 0.52 -0.25 -0.92 0.00 0.00 175.35 175.29 1js8 n ASP 2612N 5.10 -2.59 -3.82 2.83 9.92 -1.26 -4.96 116.55 121.77 1js8 n ASP 2612Ca 0.06 -1.17 -0.29 0.00 -0.53 0.00 0.00 54.79 52.86 1js8 n ASP 2612Cb 0.49 -2.35 -0.16 0.00 -0.64 0.00 0.00 41.12 38.46 1js8 n ASP 2612CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1js8 s ASN 2613N -3.87 3.27 0.26 -2.24 2.47 -1.26 -5.00 114.94 108.57 1js8 s ASN 2613Ca 0.29 -0.95 0.23 0.00 0.42 0.00 0.00 52.86 52.85 1js8 s ASN 2613Cb -0.14 -0.83 0.98 0.00 -1.45 0.00 0.00 41.25 39.81 1js8 s ASN 2613CO 0.93 -0.27 1.71 -1.54 -3.72 0.00 0.00 177.10 174.21 1js8 n SER 2614N 4.90 0.65 -0.45 -4.21 3.41 -1.26 -2.72 113.62 113.95 1js8 n SER 2614Ca -0.10 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 1js8 n SER 2614Cb 0.46 -0.80 0.36 0.00 -0.26 0.00 0.00 64.21 63.97 1js8 n SER 2614CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1js8 n PHE 2615N -2.23 0.00 0.12 7.33 3.01 -1.26 -4.17 117.46 120.27 1js8 n PHE 2615Ca 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.47 1js8 n PHE 2615Cb 0.22 -0.05 0.10 0.00 -0.01 0.00 0.00 39.48 39.75 1js8 n PHE 2615CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1js8 h HIS 2616N 2.18 0.00 -1.90 1.38 2.76 -1.64 -3.41 115.15 114.53 1js8 h HIS 2616Ca 0.00 0.00 0.33 0.00 -2.20 0.00 0.00 60.37 58.50 1js8 h HIS 2616Cb 0.59 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.46 1js8 h HIS 2616CO 0.00 0.67 0.86 -3.38 -1.30 0.00 0.00 177.93 174.78 1js8 s HIS 2617N -3.29 0.00 0.11 5.26 -3.43 -1.26 -4.95 115.29 107.73 1js8 s HIS 2617Ca 0.00 -0.13 -0.07 0.00 -0.80 0.00 0.00 55.06 54.06 1js8 s HIS 2617Cb 0.11 0.56 -0.01 0.00 -1.43 0.00 0.00 32.58 31.81 1js8 s HIS 2617CO 0.76 -0.31 0.17 0.00 -2.00 0.00 0.00 174.74 173.36 1js8 s ALA 2618N -2.17 0.04 0.13 -1.38 0.00 -1.26 -4.77 121.76 112.34 1js8 s ALA 2618Ca 0.23 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 1js8 s ALA 2618Cb 0.01 0.58 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 1js8 s ALA 2618CO -0.02 -0.52 0.36 -1.58 0.00 0.00 0.00 175.76 174.00 1js8 s HIS 2619N -3.91 3.48 -0.40 0.00 2.46 -1.26 -1.23 115.29 114.42 1js8 s HIS 2619Ca 0.10 0.53 -0.02 0.00 0.47 0.00 0.00 55.06 56.14 1js8 s HIS 2619Cb 0.05 -1.99 0.11 0.00 -0.13 0.00 0.00 32.58 30.63 1js8 s HIS 2619CO -0.07 0.46 0.19 0.42 -2.47 0.00 0.00 174.74 173.27 1js8 s ILE 2620N -1.63 3.22 0.10 0.89 1.01 0.17 -4.89 121.20 120.07 1js8 s ILE 2620Ca 0.40 -2.07 -0.34 0.00 0.00 0.00 0.00 60.65 58.64 1js8 s ILE 2620Cb -0.12 -3.22 -0.14 0.00 0.01 0.00 0.00 42.46 38.99 1js8 s ILE 2620CO 0.25 -0.68 1.58 0.44 0.00 0.00 0.00 174.94 176.52 1js8 h ASP 2621N 8.02 -1.32 -1.08 3.58 3.32 -1.97 0.37 116.42 127.35 1js8 h ASP 2621Ca -0.12 0.12 0.29 0.00 0.02 0.00 0.00 57.03 57.34 1js8 h ASP 2621Cb 1.05 0.46 -0.08 0.00 0.22 0.00 0.00 39.33 40.97 1js8 h ASP 2621CO 0.69 -0.59 0.72 0.58 -1.72 0.00 0.00 179.24 178.92 1js8 h VAL 2622N -0.85 0.48 -0.01 -1.35 2.07 -1.96 0.12 116.25 114.75 1js8 h VAL 2622Ca -0.03 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1js8 h VAL 2622Cb 0.78 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1js8 h VAL 2622CO -0.14 0.05 -0.50 0.00 0.02 0.00 0.00 177.57 177.00 1js8 n ALA 2623N -2.56 3.61 -3.21 1.67 0.00 -0.91 -4.99 120.51 114.14 1js8 n ALA 2623Ca 0.26 -0.63 -0.23 0.00 0.00 0.00 0.00 53.44 52.84 1js8 n ALA 2623Cb 0.99 -0.76 0.04 0.00 0.00 0.00 0.00 19.45 19.73 1js8 n ALA 2623CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1js8 n ASN 2624N -0.15 -5.92 -3.50 0.00 3.02 0.12 -4.97 115.26 103.86 1js8 n ASN 2624Ca 0.08 -0.37 -0.13 0.00 -0.03 0.00 0.00 54.58 54.14 1js8 n ASN 2624Cb 0.44 -4.76 -0.05 0.00 -0.61 0.00 0.00 39.78 34.80 1js8 n ASN 2624CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1js8 s THR 2625N -3.19 0.00 0.28 3.41 -4.23 -1.12 -4.99 115.64 105.80 1js8 s THR 2625Ca 0.39 -1.58 0.06 0.00 -1.18 0.00 0.00 61.69 59.37 1js8 s THR 2625Cb -0.18 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 1js8 s THR 2625CO 0.48 0.00 0.38 -1.81 -0.54 0.00 0.00 174.62 173.13 1js8 s ASP 2626N -3.18 6.06 0.70 3.99 1.01 -1.26 0.43 116.67 124.43 1js8 s ASP 2626Ca 0.29 -0.08 -0.14 0.00 0.71 0.00 0.00 52.55 53.33 1js8 s ASP 2626Cb 0.00 -1.54 0.02 0.00 1.01 0.00 0.00 42.92 42.41 1js8 s ASP 2626CO 0.17 -0.21 1.12 0.42 0.21 0.00 0.00 175.17 176.88 1js8 s THR 2627N -2.08 3.10 0.15 -1.27 -4.23 -0.37 -4.85 115.64 106.09 1js8 s THR 2627Ca 0.38 0.47 0.08 0.00 -1.18 0.00 0.00 61.69 61.44 1js8 s THR 2627Cb -0.09 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 1js8 s THR 2627CO 0.29 -0.36 -0.19 0.42 -0.54 0.00 0.00 174.62 174.25 1js8 s THR 2628N -2.44 1.79 0.07 3.99 -4.23 -0.90 -4.81 115.64 109.10 1js8 s THR 2628Ca 0.66 -1.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 1js8 s THR 2628Cb -0.21 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.82 1js8 s THR 2628CO 0.46 -0.26 -0.08 -0.13 -0.54 0.00 0.00 174.62 174.07 1js8 s ARG 2629N -2.60 0.67 -0.44 3.99 0.52 -1.26 -3.55 118.95 116.28 1js8 s ARG 2629Ca 0.14 -0.98 0.05 0.00 -0.52 0.00 0.00 55.73 54.41 1js8 s ARG 2629Cb -0.07 -0.34 0.29 0.00 0.52 0.00 0.00 34.95 35.35 1js8 s ARG 2629CO 0.06 0.05 1.10 0.45 0.02 0.00 0.00 175.30 176.97 1js8 n SER 2630N 0.92 -2.27 -4.48 0.23 2.88 -0.53 -4.92 113.62 105.46 1js8 n SER 2630Ca -0.19 -3.14 -0.51 0.00 -1.33 0.00 0.00 58.87 53.71 1js8 n SER 2630Cb 0.57 1.68 -0.04 0.00 -0.75 0.00 0.00 64.21 65.66 1js8 n SER 2630CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1js8 n PRO 2631N 0.90 0.33 -3.59 -1.46 -0.02 -0.81 -3.96 135.00 126.39 1js8 n PRO 2631Ca 0.05 0.12 -0.33 0.00 -2.02 0.00 0.00 63.50 61.32 1js8 n PRO 2631Cb 0.69 -1.37 -0.05 0.00 -0.02 0.00 0.00 33.50 32.74 1js8 n PRO 2631CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1js8 s ARG 2632N -0.66 3.71 0.50 -0.52 0.52 0.12 -4.98 118.95 117.63 1js8 s ARG 2632Ca 0.72 0.08 0.24 0.00 -0.52 0.00 0.00 55.73 56.26 1js8 s ARG 2632Cb -0.99 -2.87 1.31 0.00 0.52 0.00 0.00 34.95 32.93 1js8 s ARG 2632CO 0.56 0.47 1.93 0.00 0.02 0.00 0.00 175.30 178.28 1js8 h ALA 2633N 3.11 2.49 -0.03 2.13 0.00 -1.93 -1.75 119.26 123.28 1js8 h ALA 2633Ca -0.47 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1js8 h ALA 2633Cb 1.18 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1js8 h ALA 2633CO 0.70 -0.70 0.04 1.96 0.00 0.00 0.00 179.25 181.24 1js8 h GLN 2634N 0.14 0.00 -0.24 0.00 7.50 -1.93 -2.40 115.11 118.17 1js8 h GLN 2634Ca 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.49 1js8 h GLN 2634Cb 1.21 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.73 1js8 h GLN 2634CO -0.05 0.00 0.09 1.25 -1.50 0.00 0.00 178.83 178.62 1js8 h LEU 2635N 0.00 0.29 -7.65 1.46 5.85 -1.61 -3.51 115.31 110.14 1js8 h LEU 2635Ca 0.01 -0.02 -0.75 0.00 0.84 0.00 0.00 57.88 57.96 1js8 h LEU 2635Cb 0.09 -0.07 -0.30 0.00 0.37 0.00 0.00 40.66 40.75 1js8 h LEU 2635CO -0.00 0.28 -0.01 -0.36 -0.34 0.00 0.00 178.44 178.01 1js8 s PHE 2636N -5.18 3.75 0.05 1.25 0.08 -0.91 -4.92 117.98 112.10 1js8 s PHE 2636Ca -0.07 -2.43 -0.27 0.00 0.12 0.00 0.00 56.93 54.28 1js8 s PHE 2636Cb 0.17 -3.57 0.09 0.00 -0.57 0.00 0.00 43.02 39.14 1js8 s PHE 2636CO 0.72 -0.91 0.87 -1.54 -0.10 0.00 0.00 175.22 174.26 1js8 s SER 2645N 1.31 -0.35 0.14 1.36 1.04 -1.26 -5.05 113.70 110.89 1js8 s SER 2645Ca 0.21 -0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.37 1js8 s SER 2645Cb -0.13 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 1js8 s SER 2645CO -0.08 -0.73 1.78 0.15 0.98 0.00 0.00 173.24 175.35 1js8 h PHE 2646N 2.00 0.31 -0.53 5.02 3.57 -1.97 -2.63 116.94 122.71 1js8 h PHE 2646Ca -0.24 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.20 1js8 h PHE 2646Cb 1.25 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 1js8 h PHE 2646CO 0.28 0.18 0.03 0.74 -2.23 0.00 0.00 178.31 177.32 1js8 h PHE 2647N 0.34 0.92 -0.72 0.41 0.04 -1.88 -2.23 116.94 113.82 1js8 h PHE 2647Ca 0.11 -0.13 0.05 0.00 2.80 0.00 0.00 57.97 60.81 1js8 h PHE 2647Cb -0.00 -0.25 -0.05 0.00 2.20 0.00 0.00 35.95 37.84 1js8 h PHE 2647CO -0.08 0.82 0.42 -0.92 -0.60 0.00 0.00 178.31 177.96 1js8 h TYR 2648N 0.81 0.78 -0.54 -0.55 3.20 -1.59 -0.99 116.97 118.09 1js8 h TYR 2648Ca 0.16 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1js8 h TYR 2648Cb 0.44 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 1js8 h TYR 2648CO 0.03 0.39 0.06 0.00 -1.64 0.00 0.00 178.16 177.00 1js8 h ARG 2649N 0.78 0.91 -0.32 1.82 3.08 -1.14 0.14 114.38 119.65 1js8 h ARG 2649Ca 0.31 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1js8 h ARG 2649Cb 0.16 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1js8 h ARG 2649CO -0.17 0.90 -0.21 1.96 -1.07 0.00 0.00 179.97 181.37 1js8 h GLN 2650N 0.79 0.61 0.16 0.04 1.08 -1.17 -2.82 115.11 113.80 1js8 h GLN 2650Ca 0.16 -0.23 -0.29 0.00 -1.45 0.00 0.00 58.65 56.84 1js8 h GLN 2650Cb 0.45 -0.04 0.02 0.00 -0.05 0.00 0.00 27.48 27.85 1js8 h GLN 2650CO 0.02 0.78 -1.30 0.82 -0.95 0.00 0.00 178.83 178.19 1js8 h ILE 2651N 0.54 1.41 -0.14 2.54 1.08 -0.97 -3.18 117.51 118.80 1js8 h ILE 2651Ca 0.08 -2.88 -0.03 0.00 -0.39 0.00 0.00 64.86 61.64 1js8 h ILE 2651Cb 0.66 2.94 -0.01 0.00 -3.07 0.00 0.00 36.82 37.34 1js8 h ILE 2651CO 0.05 0.85 -0.06 0.00 -0.69 0.00 0.00 178.15 178.30 1js8 h ALA 2652N 0.44 1.64 0.00 1.87 0.00 -0.73 0.71 119.26 123.19 1js8 h ALA 2652Ca -0.17 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1js8 h ALA 2652Cb 2.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 1js8 h ALA 2652CO 0.23 0.27 -0.55 1.25 0.00 0.00 0.00 179.25 180.45 1js8 h LEU 2653N 0.20 0.00 -0.05 0.00 5.85 -1.51 -1.55 115.31 118.25 1js8 h LEU 2653Ca 0.05 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1js8 h LEU 2653Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1js8 h LEU 2653CO 0.01 0.55 -0.21 0.00 -0.34 0.00 0.00 178.44 178.45 1js8 h ALA 2654N 1.45 0.09 -0.03 1.25 0.00 -1.25 -3.21 119.26 117.57 1js8 h ALA 2654Ca -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1js8 h ALA 2654Cb 1.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1js8 h ALA 2654CO 0.07 0.07 -0.14 -0.07 0.00 0.00 0.00 179.25 179.18 1js8 h LEU 2655N -0.31 0.04 -1.76 0.00 3.38 -0.73 -2.49 115.31 113.44 1js8 h LEU 2655Ca -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1js8 h LEU 2655Cb 0.86 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1js8 h LEU 2655CO 0.04 0.18 -0.11 -0.08 0.09 0.00 0.00 178.44 178.57 1js8 h GLU 2656N 0.04 0.02 -7.08 1.13 4.81 -1.29 -3.44 114.58 108.76 1js8 h GLU 2656Ca 0.01 -0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.69 1js8 h GLU 2656Cb 0.27 -0.00 0.14 0.00 0.63 0.00 0.00 28.75 29.79 1js8 h GLU 2656CO 0.02 0.13 0.54 -0.65 -0.73 0.00 0.00 179.01 178.31 1js8 s GLN 2657N -4.81 2.88 -0.03 1.92 -1.52 -0.94 -4.95 119.66 112.20 1js8 s GLN 2657Ca -0.04 2.07 0.05 0.00 -1.95 0.00 0.00 55.36 55.49 1js8 s GLN 2657Cb 0.16 -2.02 0.09 0.00 -0.22 0.00 0.00 33.01 31.02 1js8 s GLN 2657CO 0.69 -1.35 1.06 0.25 -0.25 0.00 0.00 175.29 175.69 1js8 n THR 2658N -1.49 1.23 -4.73 -0.19 -2.24 -1.26 -4.89 114.28 100.71 1js8 n THR 2658Ca 0.13 -1.31 -0.24 0.00 -2.27 0.00 0.00 64.05 60.37 1js8 n THR 2658Cb 0.47 0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 68.87 1js8 n THR 2658CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1js8 s ASP 2659N -1.45 1.87 0.12 3.42 -1.08 -1.26 -4.92 116.67 113.37 1js8 s ASP 2659Ca 0.09 -0.29 -0.26 0.00 -0.52 0.00 0.00 52.55 51.57 1js8 s ASP 2659Cb 0.08 -0.33 -0.06 0.00 -1.46 0.00 0.00 42.92 41.15 1js8 s ASP 2659CO 0.02 0.17 1.64 0.15 0.52 0.00 0.00 175.17 177.66 1js8 h PHE 2660N 5.96 -0.68 -0.43 -5.34 3.57 -1.93 -1.38 116.94 116.70 1js8 h PHE 2660Ca -0.35 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 1js8 h PHE 2660Cb 1.16 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 40.18 1js8 h PHE 2660CO 0.41 -0.35 0.20 0.00 -2.23 0.00 0.00 178.31 176.35 1js8 h ASP 2662N 0.60 0.71 0.13 0.00 3.32 -1.94 -3.12 116.42 116.12 1js8 h ASP 2662Ca 0.15 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1js8 h ASP 2662Cb 0.07 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1js8 h ASP 2662CO -0.02 1.20 -0.06 0.15 -1.72 0.00 0.00 179.24 178.79 1js8 h PHE 2663N 0.43 -0.16 -0.65 4.55 3.57 -0.66 -3.27 116.94 120.74 1js8 h PHE 2663Ca -0.03 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.60 1js8 h PHE 2663Cb 1.29 0.05 -0.13 0.00 2.79 0.00 0.00 35.95 39.96 1js8 h PHE 2663CO 0.06 0.14 -0.22 1.49 -2.23 0.00 0.00 178.31 177.55 1js8 h GLU 2664N -0.47 -0.05 -0.67 1.11 4.22 -0.16 -1.23 114.58 117.34 1js8 h GLU 2664Ca -0.02 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.44 1js8 h GLU 2664Cb 0.37 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1js8 h GLU 2664CO 0.03 -0.03 0.44 0.97 -2.18 0.00 0.00 179.01 178.24 1js8 h ILE 2665N -0.05 1.16 -0.48 2.32 2.10 -1.62 0.25 117.51 121.19 1js8 h ILE 2665Ca 0.30 -0.31 -0.12 0.00 1.08 0.00 0.00 64.86 65.82 1js8 h ILE 2665Cb 0.52 0.19 -0.01 0.00 -1.09 0.00 0.00 36.82 36.42 1js8 h ILE 2665CO -0.70 0.16 -0.16 1.56 -1.08 0.00 0.00 178.15 177.94 1js8 h GLN 2666N 0.89 0.96 0.56 2.19 1.08 -1.37 -2.14 115.11 117.28 1js8 h GLN 2666Ca 0.25 -0.39 -0.03 0.00 -1.45 0.00 0.00 58.65 57.03 1js8 h GLN 2666Cb -0.08 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1js8 h GLN 2666CO -0.06 1.06 -0.27 0.35 -0.95 0.00 0.00 178.83 178.95 1js8 h PHE 2667N 0.81 -0.69 -0.24 2.96 3.57 -1.03 -1.77 116.94 120.55 1js8 h PHE 2667Ca 0.12 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1js8 h PHE 2667Cb 0.73 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1js8 h PHE 2667CO 0.05 -0.38 0.11 1.49 -2.23 0.00 0.00 178.31 177.35 1js8 h GLU 2668N -0.88 0.24 -0.54 1.11 4.81 -0.50 -0.68 114.58 118.14 1js8 h GLU 2668Ca -0.08 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1js8 h GLU 2668Cb 0.62 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1js8 h GLU 2668CO 0.13 0.16 0.17 0.82 -0.73 0.00 0.00 179.01 179.55 1js8 h ILE 2669N 0.24 1.21 -0.30 2.32 1.08 -1.46 -1.56 117.51 119.05 1js8 h ILE 2669Ca 0.10 -0.72 -0.02 0.00 -0.39 0.00 0.00 64.86 63.83 1js8 h ILE 2669Cb 0.03 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 1js8 h ILE 2669CO -0.07 0.27 0.11 1.23 -0.69 0.00 0.00 178.15 179.00 1js8 h GLY 2670N 0.94 0.49 1.56 5.37 0.00 -0.83 -2.83 103.07 107.76 1js8 h GLY 2670Ca 0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1js8 h GLY 2670CO -0.01 0.26 0.27 1.12 0.00 0.00 0.00 176.54 178.18 1js8 h HIS 2671N 0.33 0.57 -0.27 5.60 2.07 -0.83 -2.33 115.15 120.29 1js8 h HIS 2671Ca 0.10 0.01 0.08 0.00 -2.85 0.00 0.00 60.37 57.70 1js8 h HIS 2671Cb 0.21 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 29.99 1js8 h HIS 2671CO -0.00 0.37 0.20 -0.91 -3.07 0.00 0.00 177.93 174.52 1js8 h ASN 2672N 0.61 0.00 -0.16 3.10 2.35 -1.03 -2.71 115.58 117.73 1js8 h ASN 2672Ca 0.16 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1js8 h ASN 2672Cb -0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1js8 h ASN 2672CO -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.75 1js8 h ALA 2673N 1.85 1.51 -0.38 -0.83 0.00 -1.45 -1.77 119.26 118.20 1js8 h ALA 2673Ca 0.13 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1js8 h ALA 2673Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1js8 h ALA 2673CO -0.00 0.36 -0.21 0.82 0.00 0.00 0.00 179.25 180.21 1js8 h ILE 2674N 0.39 1.28 -0.15 0.00 1.08 -1.65 -1.86 117.51 116.61 1js8 h ILE 2674Ca 0.09 -1.36 0.01 0.00 -0.39 0.00 0.00 64.86 63.21 1js8 h ILE 2674Cb 0.26 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 1js8 h ILE 2674CO 0.01 0.45 0.09 0.45 -0.69 0.00 0.00 178.15 178.45 1js8 h HIS 2675N 0.62 0.16 -0.02 1.37 3.86 -1.48 -1.88 115.15 117.78 1js8 h HIS 2675Ca 0.08 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1js8 h HIS 2675Cb 0.77 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.19 1js8 h HIS 2675CO 0.06 0.10 -0.00 1.03 0.86 0.00 0.00 177.93 179.97 1js8 h SER 2676N 0.18 0.03 1.20 2.45 0.87 -1.28 -1.95 113.55 115.05 1js8 h SER 2676Ca 0.06 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1js8 h SER 2676Cb -0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1js8 h SER 2676CO -0.03 0.38 0.00 -0.50 -0.53 0.00 0.00 176.83 176.15 1js8 h TRP 2677N -0.31 0.00 0.00 2.24 6.55 -1.33 0.38 115.95 123.48 1js8 h TRP 2677Ca 0.00 0.00 -0.09 0.00 0.95 0.00 0.00 58.89 59.75 1js8 h TRP 2677Cb 0.37 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.65 1js8 h TRP 2677CO 0.05 0.00 -0.65 0.28 -1.05 0.00 0.00 178.44 177.07 1js8 h VAL 2678N 0.00 0.67 -0.36 1.49 2.07 -1.42 0.34 116.25 119.04 1js8 h VAL 2678Ca 0.00 -1.70 -0.11 0.00 0.82 0.00 0.00 66.70 65.71 1js8 h VAL 2678Cb 0.60 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1js8 h VAL 2678CO 0.00 0.23 -0.23 1.23 0.02 0.00 0.00 177.57 178.82 1js8 h GLY 2679N -1.00 0.76 0.00 2.17 0.00 -1.51 -1.24 103.07 102.25 1js8 h GLY 2679Ca -0.14 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1js8 h GLY 2679CO -0.08 0.59 0.00 0.61 0.00 0.00 0.00 176.54 177.65 1js8 n GLY 2680N -0.27 2.99 0.45 4.60 0.00 0.13 -2.09 105.19 111.00 1js8 n GLY 2680Ca 0.00 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.85 1js8 n GLY 2680CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1js8 n SER 2681N 1.46 1.51 -4.66 1.61 3.41 -1.26 -4.72 113.62 110.97 1js8 n SER 2681Ca 0.00 -1.34 -0.44 0.00 -0.26 0.00 0.00 58.87 56.84 1js8 n SER 2681Cb 0.00 0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 1js8 n SER 2681CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1js8 n SER 2682N -0.01 2.31 0.27 4.04 3.41 -0.89 -4.89 113.62 117.86 1js8 n SER 2682Ca 0.16 1.19 0.15 0.00 -0.26 0.00 0.00 58.87 60.11 1js8 n SER 2682Cb 0.38 -1.41 0.68 0.00 -0.26 0.00 0.00 64.21 63.60 1js8 n SER 2682CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1js8 h PRO 2683N 2.68 0.00 -0.76 4.33 0.13 -1.91 -3.32 132.00 133.15 1js8 h PRO 2683Ca -0.44 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.32 1js8 h PRO 2683Cb 1.30 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.02 1js8 h PRO 2683CO 0.64 0.08 -1.05 0.66 -0.23 0.00 0.00 178.00 178.10 1js8 n TYR 2684N -3.25 1.73 -3.00 1.56 4.01 -1.26 -4.95 117.16 112.00 1js8 n TYR 2684Ca -0.00 -2.43 0.00 0.00 -0.16 0.00 0.00 57.90 55.30 1js8 n TYR 2684Cb 0.31 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1js8 n TYR 2684CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1js8 n GLY 2685N -0.46 7.85 0.26 2.72 0.00 -1.23 -2.12 105.19 112.20 1js8 n GLY 2685Ca 0.18 -2.03 0.18 0.00 0.00 0.00 0.00 46.02 44.35 1js8 n GLY 2685CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1js8 h MET 2686N 0.00 0.00 -0.08 1.61 2.86 -1.79 -2.90 114.93 114.63 1js8 h MET 2686Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1js8 h MET 2686Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1js8 h MET 2686CO 0.00 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.84 1js8 n SER 2687N -2.73 1.50 -4.47 1.22 3.41 -0.76 -4.38 113.62 107.42 1js8 n SER 2687Ca -0.02 -1.58 -0.33 0.00 -0.26 0.00 0.00 58.87 56.68 1js8 n SER 2687Cb 0.08 -0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 63.85 1js8 n SER 2687CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1js8 s THR 2688N -1.90 3.12 0.32 6.66 -4.23 -1.10 -4.75 115.64 113.76 1js8 s THR 2688Ca 0.36 -0.69 0.03 0.00 -1.18 0.00 0.00 61.69 60.20 1js8 s THR 2688Cb 0.19 -2.24 0.15 0.00 1.34 0.00 0.00 72.50 71.94 1js8 s THR 2688CO 0.30 0.58 1.85 0.25 -0.54 0.00 0.00 174.62 177.06 1js8 h LEU 2689N 5.56 0.56 -0.67 4.79 5.85 -1.87 -2.31 115.31 127.22 1js8 h LEU 2689Ca -0.43 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.11 1js8 h LEU 2689Cb 1.16 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1js8 h LEU 2689CO 0.51 0.62 0.17 0.45 -0.34 0.00 0.00 178.44 179.85 1js8 h HIS 2690N 0.57 1.13 -0.03 1.25 3.86 -1.93 -3.36 115.15 116.64 1js8 h HIS 2690Ca 0.12 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1js8 h HIS 2690Cb 0.34 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1js8 h HIS 2690CO 0.01 0.92 0.00 0.66 0.86 0.00 0.00 177.93 180.39 1js8 n TYR 2691N -4.28 0.03 -0.11 2.45 4.01 -1.21 -2.63 117.16 115.42 1js8 n TYR 2691Ca 0.05 -0.14 -0.05 0.00 -0.16 0.00 0.00 57.90 57.59 1js8 n TYR 2691Cb 0.25 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.29 1js8 n TYR 2691CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1js8 h THR 2692N 0.56 0.72 0.00 -0.72 1.35 -1.42 -2.43 112.91 110.98 1js8 h THR 2692Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1js8 h THR 2692Cb 0.25 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1js8 h THR 2692CO 0.00 0.02 0.06 -1.54 -0.25 0.00 0.00 175.52 173.80 1js8 n SER 2693N -5.19 0.00 0.05 5.36 3.41 -1.26 -2.24 113.62 113.76 1js8 n SER 2693Ca 0.02 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1js8 n SER 2693Cb 0.19 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 1js8 n SER 2693CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1js8 h TYR 2694N 0.00 0.00 -3.04 7.33 0.05 -1.75 -3.44 116.97 116.12 1js8 h TYR 2694Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.21 1js8 h TYR 2694Cb 0.11 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.81 1js8 h TYR 2694CO 0.00 0.56 0.79 0.34 -1.05 0.00 0.00 178.16 178.80 1js8 s ASP 2695N -5.88 7.05 0.59 3.88 -1.08 -0.95 -4.25 116.67 116.04 1js8 s ASP 2695Ca -0.02 1.59 0.29 0.00 -0.52 0.00 0.00 52.55 53.89 1js8 s ASP 2695Cb 0.09 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.49 1js8 s ASP 2695CO 0.80 -0.66 1.92 -0.65 0.52 0.00 0.00 175.17 177.10 1js8 h PRO 2696N 7.69 0.00 0.00 4.34 0.11 -1.86 0.24 132.00 142.52 1js8 h PRO 2696Ca -0.26 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1js8 h PRO 2696Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1js8 h PRO 2696CO 0.94 0.00 -0.10 1.25 -0.21 0.00 0.00 178.00 179.88 1js8 h LEU 2697N 0.00 0.00 -0.99 2.35 5.85 -1.90 -2.17 115.31 118.45 1js8 h LEU 2697Ca 0.20 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.09 1js8 h LEU 2697Cb 1.12 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.05 1js8 h LEU 2697CO -0.00 0.10 0.60 0.15 -0.34 0.00 0.00 178.44 178.95 1js8 h PHE 2698N 0.00 1.07 0.00 1.25 3.04 -0.78 -0.71 116.94 120.81 1js8 h PHE 2698Ca -0.00 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.87 1js8 h PHE 2698Cb 0.22 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 1js8 h PHE 2698CO 0.00 0.29 -0.52 1.88 -2.02 0.00 0.00 178.31 177.94 1js8 h TYR 2699N 0.82 0.00 0.01 0.41 0.05 -1.55 0.18 116.97 116.89 1js8 h TYR 2699Ca 0.55 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 59.09 1js8 h TYR 2699Cb 0.76 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.51 1js8 h TYR 2699CO -0.01 0.52 -0.97 -0.07 -1.05 0.00 0.00 178.16 176.58 1js8 h LEU 2700N 0.00 0.58 -0.29 3.88 3.38 -1.27 -1.63 115.31 119.96 1js8 h LEU 2700Ca -0.01 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 1js8 h LEU 2700Cb 1.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1js8 h LEU 2700CO 0.07 1.27 -0.04 -0.74 0.09 0.00 0.00 178.44 179.10 1js8 h HIS 2701N 0.24 0.59 0.00 1.13 2.76 -1.04 -1.63 115.15 117.21 1js8 h HIS 2701Ca -0.09 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 1js8 h HIS 2701Cb 1.61 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 30.42 1js8 h HIS 2701CO 0.07 0.71 0.00 0.45 -1.30 0.00 0.00 177.93 177.85 1js8 h HIS 2702N 0.31 0.00 -0.01 5.26 3.86 -0.61 0.38 115.15 124.35 1js8 h HIS 2702Ca 0.08 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.05 1js8 h HIS 2702Cb 0.49 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.97 1js8 h HIS 2702CO 0.04 0.00 -0.96 1.03 0.86 0.00 0.00 177.93 178.90 1js8 h SER 2703N 0.00 0.66 -0.30 2.45 0.87 -1.27 -1.60 113.55 114.36 1js8 h SER 2703Ca 0.00 -0.52 -0.16 0.00 -1.23 0.00 0.00 61.79 59.88 1js8 h SER 2703Cb 0.82 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1js8 h SER 2703CO 0.00 1.32 -0.42 -1.13 -0.53 0.00 0.00 176.83 176.07 1js8 h ASN 2704N 0.29 0.89 -0.80 6.23 -0.00 -1.13 -0.15 115.58 120.91 1js8 h ASN 2704Ca -0.09 -0.50 -0.00 0.00 -0.00 0.00 0.00 56.30 55.70 1js8 h ASN 2704Cb 1.60 -0.25 -0.04 0.00 -0.00 0.00 0.00 38.32 39.63 1js8 h ASN 2704CO 0.17 1.22 0.49 0.74 -0.00 0.00 0.00 177.43 180.05 1js8 h THR 2705N 0.59 1.22 -0.10 -3.57 2.02 -0.94 -0.35 112.91 111.77 1js8 h THR 2705Ca 0.03 -0.48 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 1js8 h THR 2705Cb 1.01 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1js8 h THR 2705CO 0.10 0.23 -0.31 -0.78 0.37 0.00 0.00 175.52 175.13 1js8 h ASP 2706N 1.09 0.19 -0.58 4.18 3.58 -1.07 -2.06 116.42 121.76 1js8 h ASP 2706Ca 0.29 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.59 1js8 h ASP 2706Cb -0.05 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 1js8 h ASP 2706CO -0.05 0.51 0.03 -0.09 -2.88 0.00 0.00 179.24 176.75 1js8 h ARG 2707N 0.17 1.00 -0.80 0.28 2.43 0.32 -1.16 114.38 116.62 1js8 h ARG 2707Ca 0.02 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1js8 h ARG 2707Cb 0.64 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 1js8 h ARG 2707CO 0.05 0.98 0.47 0.82 -1.51 0.00 0.00 179.97 180.77 1js8 h ILE 2708N 0.89 1.23 -0.70 1.20 2.04 -0.53 0.13 117.51 121.77 1js8 h ILE 2708Ca 0.17 -0.52 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 1js8 h ILE 2708Cb 0.51 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1js8 h ILE 2708CO 0.02 0.24 0.16 -0.25 0.00 0.00 0.00 178.15 178.33 1js8 h TRP 2709N 1.10 1.19 -0.63 1.37 7.01 -1.19 -2.36 115.95 122.43 1js8 h TRP 2709Ca 0.28 -0.15 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 1js8 h TRP 2709Cb -0.02 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 26.68 1js8 h TRP 2709CO -0.00 0.97 0.23 0.77 -2.79 0.00 0.00 178.44 177.62 1js8 h SER 2710N 1.06 0.86 -0.81 2.65 0.02 0.08 -1.96 113.55 115.45 1js8 h SER 2710Ca 0.22 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1js8 h SER 2710Cb 0.39 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1js8 h SER 2710CO 0.00 0.79 0.35 0.58 -1.14 0.00 0.00 176.83 177.41 1js8 h VAL 2711N 0.92 1.26 -0.67 2.27 2.07 -0.55 -2.26 116.25 119.29 1js8 h VAL 2711Ca 0.21 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 1js8 h VAL 2711Cb 0.21 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1js8 h VAL 2711CO -0.02 0.32 0.14 -0.25 0.02 0.00 0.00 177.57 177.79 1js8 h TRP 2712N 1.17 1.14 -0.29 1.57 7.01 -0.89 -1.66 115.95 123.99 1js8 h TRP 2712Ca 0.27 -0.14 -0.08 0.00 2.11 0.00 0.00 58.89 61.05 1js8 h TRP 2712Cb 0.17 -0.32 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 1js8 h TRP 2712CO 0.02 0.93 -0.18 1.96 -2.79 0.00 0.00 178.44 178.38 1js8 h GLN 2713N 1.02 0.52 -0.21 2.65 4.20 -1.17 -1.04 115.11 121.08 1js8 h GLN 2713Ca 0.21 -0.17 -0.16 0.00 0.06 0.00 0.00 58.65 58.59 1js8 h GLN 2713Cb 0.39 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1js8 h GLN 2713CO 0.01 0.68 -0.53 0.00 -0.67 0.00 0.00 178.83 178.32 1js8 h ALA 2714N 1.34 0.69 -0.25 3.87 0.00 -1.08 -2.13 119.26 121.70 1js8 h ALA 2714Ca 0.08 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1js8 h ALA 2714Cb 0.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1js8 h ALA 2714CO 0.04 0.68 0.08 -0.07 0.00 0.00 0.00 179.25 179.98 1js8 h LEU 2715N 0.47 0.35 -0.99 0.00 3.38 -0.96 -0.64 115.31 116.92 1js8 h LEU 2715Ca 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1js8 h LEU 2715Cb 1.07 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1js8 h LEU 2715CO 0.10 0.46 0.64 1.56 0.09 0.00 0.00 178.44 181.29 1js8 h GLN 2716N 0.23 1.31 -0.24 1.13 1.08 -1.19 0.31 115.11 117.74 1js8 h GLN 2716Ca 0.08 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1js8 h GLN 2716Cb 0.23 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1js8 h GLN 2716CO -0.00 0.89 0.11 -0.22 -0.95 0.00 0.00 178.83 178.65 1js8 h LYS 2717N 1.35 0.36 -0.34 1.46 3.64 -1.20 0.22 116.57 122.05 1js8 h LYS 2717Ca 0.36 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1js8 h LYS 2717Cb -0.13 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1js8 h LYS 2717CO -0.07 0.38 0.16 -0.92 -2.27 0.00 0.00 179.45 176.72 1js8 h TYR 2718N 0.25 0.46 0.00 1.91 3.20 -0.42 -1.90 116.97 120.47 1js8 h TYR 2718Ca 0.08 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1js8 h TYR 2718Cb 0.14 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1js8 h TYR 2718CO -0.02 0.35 -0.08 0.54 -1.64 0.00 0.00 178.16 177.31 1js8 n ARG 2719N -4.42 0.15 -0.95 1.82 1.74 0.10 -4.91 116.66 110.18 1js8 n ARG 2719Ca 0.02 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1js8 n ARG 2719Cb 0.12 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1js8 n ARG 2719CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1js8 n GLY 2720N 1.40 0.41 3.70 -0.13 0.00 -0.12 -5.04 105.19 105.40 1js8 n GLY 2720Ca 0.06 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 1js8 n GLY 2720CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1js8 s LEU 2721N 0.00 3.41 0.17 0.99 1.43 0.57 -5.01 118.68 120.24 1js8 s LEU 2721Ca 0.00 -0.39 -0.34 0.00 -1.03 0.00 0.00 54.13 52.37 1js8 s LEU 2721Cb 0.00 -2.02 -0.14 0.00 0.03 0.00 0.00 46.19 44.06 1js8 s LEU 2721CO 0.00 0.06 1.57 -0.81 0.23 0.00 0.00 176.35 177.39 1js8 n PRO 2722N -0.42 2.16 0.00 1.29 -0.04 -1.26 -4.06 135.00 132.66 1js8 n PRO 2722Ca -0.09 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 1js8 n PRO 2722Cb 0.56 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1js8 n PRO 2722CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1js8 n TYR 2723N 3.31 0.00 -0.02 0.54 4.11 -1.26 -4.78 117.16 119.06 1js8 n TYR 2723Ca 0.17 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 58.13 1js8 n TYR 2723Cb 0.29 0.00 0.14 0.00 -0.00 0.00 0.00 39.34 39.77 1js8 n TYR 2723CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1js8 n ASN 2724N -1.18 2.79 -4.07 9.48 5.03 -1.26 -4.89 115.26 121.16 1js8 n ASN 2724Ca 0.00 -1.88 -0.10 0.00 0.87 0.00 0.00 54.58 53.47 1js8 n ASN 2724Cb 0.02 -0.20 -0.08 0.00 -1.02 0.00 0.00 39.78 38.51 1js8 n ASN 2724CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1js8 s THR 2725N -1.01 0.03 -0.12 3.41 -4.23 -1.26 -4.76 115.64 107.70 1js8 s THR 2725Ca 0.23 -1.64 -0.06 0.00 -1.18 0.00 0.00 61.69 59.04 1js8 s THR 2725Cb 0.13 -2.18 0.05 0.00 1.34 0.00 0.00 72.50 71.84 1js8 s THR 2725CO 0.17 -0.13 0.27 0.00 -0.54 0.00 0.00 174.62 174.40 1js8 s ALA 2726N -4.05 -0.63 -1.03 3.99 0.00 -1.26 -4.87 121.76 113.90 1js8 s ALA 2726Ca 0.27 1.06 0.28 0.00 0.00 0.00 0.00 51.96 53.57 1js8 s ALA 2726Cb 0.04 -0.79 1.08 0.00 0.00 0.00 0.00 23.12 23.45 1js8 s ALA 2726CO 0.07 -0.33 1.81 0.09 0.00 0.00 0.00 175.76 177.40 1js8 n ASN 2727N 4.55 0.13 -4.92 0.00 3.02 -1.26 -4.61 115.26 112.17 1js8 n ASN 2727Ca -0.20 0.27 -0.26 0.00 -0.03 0.00 0.00 54.58 54.36 1js8 n ASN 2727Cb 0.52 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 1js8 n ASN 2727CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1js8 n GLU 2729N -1.44 -1.48 0.15 0.00 2.13 -1.26 -4.73 120.64 114.00 1js8 n GLU 2729Ca -0.03 0.09 0.03 0.00 0.66 0.00 0.00 57.16 57.91 1js8 n GLU 2729Cb 0.55 -4.36 0.17 0.00 0.27 0.00 0.00 31.44 28.06 1js8 n GLU 2729CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1js8 n ILE 2730N -3.32 0.35 -0.07 6.31 -5.35 -1.26 -1.81 119.36 114.20 1js8 n ILE 2730Ca 0.07 0.72 -0.13 0.00 -0.27 0.00 0.00 62.75 63.14 1js8 n ILE 2730Cb 0.44 -1.72 -0.11 0.00 -1.74 0.00 0.00 39.64 36.51 1js8 n ILE 2730CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1js8 h ASN 2731N 0.00 0.00 0.20 7.28 -0.00 -1.97 -3.36 115.58 117.73 1js8 h ASN 2731Ca 0.00 -0.82 -0.02 0.00 -0.00 0.00 0.00 56.30 55.45 1js8 h ASN 2731Cb 1.00 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.31 1js8 h ASN 2731CO 0.00 1.00 -0.11 0.11 -0.00 0.00 0.00 177.43 178.43 1js8 h LYS 2732N -1.00 0.00 0.00 6.67 1.57 -1.74 -2.74 116.57 119.34 1js8 h LYS 2732Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1js8 h LYS 2732Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1js8 h LYS 2732CO -0.02 0.11 0.00 1.28 -0.57 0.00 0.00 179.45 180.25 1js8 n LEU 2733N -4.00 0.00 -0.22 2.94 4.77 -1.23 -3.07 117.00 116.19 1js8 n LEU 2733Ca -0.02 0.35 0.06 0.00 -0.03 0.00 0.00 56.01 56.36 1js8 n LEU 2733Cb 0.20 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1js8 n LEU 2733CO 0.32 -0.12 0.18 1.33 -1.33 0.00 0.00 177.39 177.77 1js8 n VAL 2734N -1.35 0.00 -2.73 4.08 0.24 -1.03 0.16 118.33 117.70 1js8 n VAL 2734Ca 0.08 -0.36 -0.32 0.00 -2.04 0.00 0.00 64.34 61.71 1js8 n VAL 2734Cb 0.18 1.11 -0.04 0.00 -1.47 0.00 0.00 33.84 33.62 1js8 n VAL 2734CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1js8 s LYS 2735N -1.58 3.93 0.50 7.34 1.02 -1.18 -4.84 119.74 124.93 1js8 s LYS 2735Ca 0.09 0.75 -0.21 0.00 0.02 0.00 0.00 55.97 56.62 1js8 s LYS 2735Cb 0.09 -2.28 -0.07 0.00 -0.52 0.00 0.00 37.83 35.05 1js8 s LYS 2735CO 0.32 -0.09 1.12 -1.25 -0.92 0.00 0.00 175.35 174.53 1js8 s PRO 2736N -3.71 3.58 -0.82 -1.68 0.04 -1.26 -3.62 135.00 127.52 1js8 s PRO 2736Ca 0.56 1.63 -0.17 0.00 0.04 0.00 0.00 61.00 63.05 1js8 s PRO 2736Cb -0.10 -2.17 0.15 0.00 0.04 0.00 0.00 34.50 32.43 1js8 s PRO 2736CO 0.27 -0.67 0.92 -0.51 0.04 0.00 0.00 177.00 177.05 1js8 s LEU 2737N -3.46 5.69 0.35 -3.56 1.43 0.35 -4.96 118.68 114.52 1js8 s LEU 2737Ca 0.69 -2.12 -0.28 0.00 -1.03 0.00 0.00 54.13 51.39 1js8 s LEU 2737Cb -0.24 -2.32 -0.10 0.00 0.03 0.00 0.00 46.19 43.56 1js8 s LEU 2737CO 0.28 -0.92 1.27 -0.54 0.23 0.00 0.00 176.35 176.68 1js8 s LYS 2738N 1.86 4.28 -0.18 1.70 1.02 -1.26 -1.30 119.74 125.85 1js8 s LYS 2738Ca 0.23 2.12 0.16 0.00 0.02 0.00 0.00 55.97 58.50 1js8 s LYS 2738Cb -0.11 -2.98 0.75 0.00 -0.52 0.00 0.00 37.83 34.97 1js8 s LYS 2738CO -0.06 -0.22 1.67 -0.35 -0.92 0.00 0.00 175.35 175.47 1js8 n PRO 2739N 0.63 4.25 0.27 -1.68 -0.04 -1.26 -4.82 135.00 132.36 1js8 n PRO 2739Ca 0.01 -3.02 0.15 0.00 -0.04 0.00 0.00 63.50 60.61 1js8 n PRO 2739Cb 0.43 -2.07 0.77 0.00 -0.04 0.00 0.00 33.50 32.58 1js8 n PRO 2739CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1js8 h PHE 2740N 3.76 0.00 0.00 0.54 0.04 -1.55 -2.42 116.94 117.31 1js8 h PHE 2740Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1js8 h PHE 2740Cb 1.72 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.87 1js8 h PHE 2740CO 0.90 0.08 -0.24 0.27 -0.60 0.00 0.00 178.31 178.72 1js8 n ASN 2741N -3.37 0.52 -4.78 2.17 6.94 -1.21 -3.79 115.26 111.74 1js8 n ASN 2741Ca -0.01 0.30 -0.35 0.00 -0.02 0.00 0.00 54.58 54.50 1js8 n ASN 2741Cb 0.25 -0.30 -0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1js8 n ASN 2741CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1js8 s LEU 2742N -3.80 3.76 0.54 -4.53 1.43 -0.91 -4.92 118.68 110.25 1js8 s LEU 2742Ca 0.10 2.14 0.26 0.00 -1.03 0.00 0.00 54.13 55.61 1js8 s LEU 2742Cb 0.15 -4.58 1.56 0.00 0.03 0.00 0.00 46.19 43.35 1js8 s LEU 2742CO 0.63 -1.17 2.15 0.44 0.23 0.00 0.00 176.35 178.63 1js8 h ASP 2743N 1.23 0.00 0.00 2.29 3.32 -1.91 -1.23 116.42 120.12 1js8 h ASP 2743Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1js8 h ASP 2743Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1js8 h ASP 2743CO 0.57 0.07 0.00 0.35 -1.72 0.00 0.00 179.24 178.51 1js8 n THR 2744N -3.84 0.00 -2.81 0.35 -2.24 -1.26 -4.65 114.28 99.83 1js8 n THR 2744Ca -0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 1js8 n THR 2744Cb 0.16 -0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 67.77 1js8 n THR 2744CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1js8 s ASN 2745N -1.97 6.57 0.00 3.42 2.47 -0.47 -4.91 114.94 120.05 1js8 s ASN 2745Ca 0.36 0.30 0.14 0.00 0.42 0.00 0.00 52.86 54.08 1js8 s ASN 2745Cb 0.17 -2.46 0.62 0.00 -1.45 0.00 0.00 41.25 38.13 1js8 s ASN 2745CO 0.28 -0.99 1.43 -0.81 -3.72 0.00 0.00 177.10 173.29 1js8 n PRO 2746N 7.05 0.05 -3.40 0.43 -0.04 -1.26 -4.59 135.00 133.24 1js8 n PRO 2746Ca 0.07 0.24 -0.41 0.00 -0.04 0.00 0.00 63.50 63.35 1js8 n PRO 2746Cb 0.48 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.35 1js8 n PRO 2746CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1js8 s ASN 2747N -2.89 6.16 0.34 3.54 3.04 -1.26 -4.95 114.94 118.92 1js8 s ASN 2747Ca 0.08 -0.42 0.14 0.00 0.04 0.00 0.00 52.86 52.71 1js8 s ASN 2747Cb 0.09 -2.19 0.58 0.00 -1.54 0.00 0.00 41.25 38.19 1js8 s ASN 2747CO 0.24 -0.40 1.72 0.00 -3.04 0.00 0.00 177.10 175.62 1js8 h ALA 2748N 8.55 1.09 0.02 1.71 0.00 -1.99 -2.21 119.26 126.43 1js8 h ALA 2748Ca -0.29 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 1js8 h ALA 2748Cb 1.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1js8 h ALA 2748CO 0.72 0.58 -0.01 0.28 0.00 0.00 0.00 179.25 180.82 1js8 h VAL 2749N 0.00 1.46 0.00 0.00 2.07 -1.97 -1.81 116.25 116.00 1js8 h VAL 2749Ca -0.00 -1.57 -0.05 0.00 0.82 0.00 0.00 66.70 65.90 1js8 h VAL 2749Cb 0.90 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 1js8 h VAL 2749CO 0.06 0.40 -0.23 0.71 0.02 0.00 0.00 177.57 178.53 1js8 h THR 2750N -0.72 0.85 -0.04 2.57 1.35 -1.92 -1.18 112.91 113.83 1js8 h THR 2750Ca -0.00 -0.90 -0.18 0.00 -0.55 0.00 0.00 66.41 64.78 1js8 h THR 2750Cb 0.67 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 1js8 h THR 2750CO 0.00 0.23 -0.77 0.50 -0.25 0.00 0.00 175.52 175.23 1js8 h LYS 2751N 0.00 0.29 0.00 4.72 3.64 -1.43 -2.92 116.57 120.87 1js8 h LYS 2751Ca -0.00 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.05 1js8 h LYS 2751Cb 0.51 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1js8 h LYS 2751CO 0.03 0.93 -0.31 0.00 -2.27 0.00 0.00 179.45 177.83 1js8 h ALA 2752N 0.99 1.05 -0.86 5.00 0.00 -0.32 -3.20 119.26 121.91 1js8 h ALA 2752Ca -0.03 -0.28 -0.58 0.00 0.00 0.00 0.00 54.91 54.02 1js8 h ALA 2752Cb 1.36 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.70 1js8 h ALA 2752CO 0.12 0.39 -0.50 0.72 0.00 0.00 0.00 179.25 179.98 1js8 n HIS 2753N -3.53 2.89 -0.28 0.00 8.25 -0.88 -4.86 115.22 116.80 1js8 n HIS 2753Ca -0.00 -2.43 -0.13 0.00 -0.26 0.00 0.00 57.72 54.90 1js8 n HIS 2753Cb 0.46 -0.52 0.08 0.00 1.12 0.00 0.00 29.99 31.13 1js8 n HIS 2753CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1js8 n SER 2754N -0.72 4.03 -4.23 0.41 3.41 -1.11 -4.13 113.62 111.28 1js8 n SER 2754Ca 0.47 -2.87 -0.16 0.00 -0.26 0.00 0.00 58.87 56.05 1js8 n SER 2754Cb 0.88 -0.75 -0.11 0.00 -0.26 0.00 0.00 64.21 63.97 1js8 n SER 2754CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1js8 s THR 2755N -1.82 1.18 0.31 6.66 -4.23 -1.26 -0.49 115.64 115.99 1js8 s THR 2755Ca 0.29 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.02 1js8 s THR 2755Cb 0.24 -1.56 0.27 0.00 1.34 0.00 0.00 72.50 72.79 1js8 s THR 2755CO 0.04 -0.54 1.96 1.23 -0.54 0.00 0.00 174.62 176.78 1js8 h GLY 2756N 3.34 1.16 1.68 3.99 0.00 -1.58 -1.80 103.07 109.86 1js8 h GLY 2756Ca -0.38 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.51 1js8 h GLY 2756CO 0.54 0.38 0.06 0.00 0.00 0.00 0.00 176.54 177.53 1js8 h ALA 2757N 1.51 1.58 -0.01 3.60 0.00 0.13 -2.85 119.26 123.22 1js8 h ALA 2757Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1js8 h ALA 2757Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1js8 h ALA 2757CO -0.08 0.32 -0.32 0.25 0.00 0.00 0.00 179.25 179.41 1js8 n THR 2758N -4.37 0.00 -0.47 0.00 -2.24 -0.72 -4.28 114.28 102.21 1js8 n THR 2758Ca 0.01 -0.13 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 1js8 n THR 2758Cb 0.17 0.52 0.34 0.00 -2.10 0.00 0.00 70.33 69.27 1js8 n THR 2758CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1js8 n SER 2759N -0.64 4.31 0.03 3.42 3.41 -0.95 -4.41 113.62 118.79 1js8 n SER 2759Ca 0.11 -2.18 -0.19 0.00 -0.26 0.00 0.00 58.87 56.35 1js8 n SER 2759Cb 0.36 -0.53 -0.11 0.00 -0.26 0.00 0.00 64.21 63.68 1js8 n SER 2759CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1js8 h PHE 2760N 4.28 0.94 -2.12 7.33 0.04 -1.74 -3.41 116.94 122.25 1js8 h PHE 2760Ca 0.00 -0.51 -0.60 0.00 2.80 0.00 0.00 57.97 59.66 1js8 h PHE 2760Cb 1.18 -0.11 -0.12 0.00 2.20 0.00 0.00 35.95 39.11 1js8 h PHE 2760CO 0.61 1.34 1.00 0.34 -0.60 0.00 0.00 178.31 181.00 1js8 s ASP 2761N -7.15 6.33 0.43 2.17 -1.08 -1.26 -4.86 116.67 111.25 1js8 s ASP 2761Ca -0.11 -1.12 0.22 0.00 -0.52 0.00 0.00 52.55 51.02 1js8 s ASP 2761Cb 0.06 -2.50 0.98 0.00 -1.46 0.00 0.00 42.92 40.00 1js8 s ASP 2761CO 0.90 -1.52 1.87 0.10 0.52 0.00 0.00 175.17 177.04 1js8 h TYR 2762N 9.65 0.00 -0.34 -5.34 -0.00 -1.94 -2.63 116.97 116.37 1js8 h TYR 2762Ca -0.08 0.00 0.03 0.00 -0.00 0.00 0.00 58.73 58.67 1js8 h TYR 2762Cb 1.04 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.75 1js8 h TYR 2762CO 1.13 0.26 0.23 0.45 -0.00 0.00 0.00 178.16 180.23 1js8 h HIS 2763N 0.00 0.34 0.00 0.10 3.86 -1.89 0.51 115.15 118.06 1js8 h HIS 2763Ca -0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1js8 h HIS 2763Cb 0.65 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1js8 h HIS 2763CO 0.00 0.20 0.00 1.63 0.86 0.00 0.00 177.93 180.62 1js8 n LYS 2764N -4.49 0.31 -0.01 2.45 5.02 -0.99 -2.20 118.16 118.25 1js8 n LYS 2764Ca 0.03 0.07 0.13 0.00 -2.02 0.00 0.00 58.31 56.52 1js8 n LYS 2764Cb 0.15 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 33.93 1js8 n LYS 2764CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1js8 n LEU 2765N -1.29 2.44 0.00 -0.35 4.77 0.18 -4.98 117.00 117.77 1js8 n LEU 2765Ca 0.11 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1js8 n LEU 2765Cb 0.18 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1js8 n LEU 2765CO 0.17 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1js8 n GLY 2766N 1.29 0.40 3.25 -0.72 0.00 -0.93 -5.04 105.19 103.44 1js8 n GLY 2766Ca 0.16 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 1js8 n GLY 2766CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1js8 s TYR 2767N -2.00 1.32 0.28 1.61 -0.85 -1.26 -1.56 117.35 114.89 1js8 s TYR 2767Ca 0.00 -1.30 -0.17 0.00 -0.52 0.00 0.00 57.07 55.08 1js8 s TYR 2767Cb 0.00 -0.70 0.01 0.00 0.38 0.00 0.00 41.96 41.65 1js8 s TYR 2767CO 0.00 -0.52 0.63 0.34 -1.52 0.00 0.00 175.55 174.48 1js8 s ASP 2768N -3.23 -0.14 0.19 -0.18 -1.08 -0.38 -4.54 116.67 107.31 1js8 s ASP 2768Ca 0.39 -0.80 0.07 0.00 -0.52 0.00 0.00 52.55 51.68 1js8 s ASP 2768Cb 0.07 0.68 -0.04 0.00 -1.46 0.00 0.00 42.92 42.18 1js8 s ASP 2768CO 0.13 -1.30 0.05 -0.31 0.52 0.00 0.00 175.17 174.27 1js8 s TYR 2769N -3.80 2.94 0.34 -5.34 2.02 -1.26 -0.22 117.35 112.03 1js8 s TYR 2769Ca 0.16 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.79 1js8 s TYR 2769Cb -0.04 -1.40 0.65 0.00 -0.40 0.00 0.00 41.96 40.78 1js8 s TYR 2769CO 0.09 0.53 1.96 0.38 -1.57 0.00 0.00 175.55 176.93 1js8 h ASP 2770N 2.45 0.75 -4.97 2.29 2.03 -1.24 -3.45 116.42 114.27 1js8 h ASP 2770Ca -0.47 -0.00 0.19 0.00 -0.73 0.00 0.00 57.03 56.02 1js8 h ASP 2770Cb 1.21 -0.17 -0.13 0.00 -0.83 0.00 0.00 39.33 39.41 1js8 h ASP 2770CO 0.60 0.50 0.61 0.54 -1.03 0.00 0.00 179.24 180.46 1js8 s ASN 2771N -6.23 -0.21 -0.31 4.15 2.20 -1.26 -5.05 114.94 108.23 1js8 s ASN 2771Ca -0.10 -0.14 0.08 0.00 -0.94 0.00 0.00 52.86 51.75 1js8 s ASN 2771Cb 0.19 0.33 0.52 0.00 -2.00 0.00 0.00 41.25 40.29 1js8 s ASN 2771CO 0.78 -0.58 1.51 0.18 -2.94 0.00 0.00 177.10 176.05 1js8 n LEU 2772N -0.33 4.39 -4.56 3.54 4.77 -1.26 -4.97 117.00 118.58 1js8 n LEU 2772Ca -0.06 -3.80 -0.42 0.00 -0.03 0.00 0.00 56.01 51.70 1js8 n LEU 2772Cb 0.61 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1js8 n LEU 2772CO 0.11 1.27 1.11 0.20 -1.33 0.00 0.00 177.39 178.76 1js8 s ASN 2773N -2.45 6.27 -0.32 -1.43 0.02 -1.26 -4.69 114.94 111.07 1js8 s ASN 2773Ca 0.46 -0.26 -0.29 0.00 -1.02 0.00 0.00 52.86 51.75 1js8 s ASN 2773Cb 0.42 -2.55 0.01 0.00 0.02 0.00 0.00 41.25 39.15 1js8 s ASN 2773CO 0.00 -1.68 1.17 0.12 0.02 0.00 0.00 177.10 176.74 1js8 s PHE 2774N 5.34 2.93 -1.37 2.20 5.36 -1.08 -3.67 117.98 127.70 1js8 s PHE 2774Ca 0.37 1.02 -0.07 0.00 -0.96 0.00 0.00 56.93 57.30 1js8 s PHE 2774Cb -0.08 -3.84 0.03 0.00 -0.34 0.00 0.00 43.02 38.79 1js8 s PHE 2774CO 0.19 -1.20 0.96 0.72 -1.46 0.00 0.00 175.22 174.43 1js8 n HIS 2775N 7.24 -2.33 -0.92 10.12 8.25 -1.26 -1.83 115.22 134.49 1js8 n HIS 2775Ca 0.13 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.51 1js8 n HIS 2775Cb 0.47 -4.55 0.00 0.00 1.12 0.00 0.00 29.99 27.03 1js8 n HIS 2775CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1js8 n GLY 2776N -1.64 0.37 3.76 -1.41 0.00 -1.24 -5.00 105.19 100.02 1js8 n GLY 2776Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1js8 n GLY 2776CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1js8 s MET 2777N -0.75 3.01 0.88 1.61 -1.94 -0.76 -5.08 119.30 116.26 1js8 s MET 2777Ca 0.00 -0.51 -0.13 0.00 -1.71 0.00 0.00 55.69 53.35 1js8 s MET 2777Cb 0.00 -2.82 0.12 0.00 2.01 0.00 0.00 34.83 34.14 1js8 s MET 2777CO 0.00 0.64 1.17 0.95 -0.01 0.00 0.00 175.02 177.78 1js8 s THR 2778N -1.16 1.99 0.21 2.05 -4.23 -1.26 -2.62 115.64 110.61 1js8 s THR 2778Ca 0.22 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1js8 s THR 2778Cb -0.12 -2.88 0.15 0.00 1.34 0.00 0.00 72.50 70.99 1js8 s THR 2778CO 0.13 0.00 1.87 0.40 -0.54 0.00 0.00 174.62 176.48 1js8 h ILE 2779N -1.33 1.17 0.00 2.99 1.08 -1.97 -1.07 117.51 118.37 1js8 h ILE 2779Ca -0.48 -0.33 -0.08 0.00 -0.39 0.00 0.00 64.86 63.59 1js8 h ILE 2779Cb 1.32 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 1js8 h ILE 2779CO 0.61 0.17 -0.38 -0.65 -0.69 0.00 0.00 178.15 177.22 1js8 h PRO 2780N 0.96 0.00 -0.38 2.37 0.11 -1.97 -2.52 132.00 130.56 1js8 h PRO 2780Ca 0.27 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.23 1js8 h PRO 2780Cb -0.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1js8 h PRO 2780CO -0.07 0.38 -0.34 0.93 -0.21 0.00 0.00 178.00 178.68 1js8 h GLU 2781N 0.00 0.91 -0.65 1.05 5.08 -1.69 -2.44 114.58 116.84 1js8 h GLU 2781Ca -0.00 -0.46 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 1js8 h GLU 2781Cb 0.79 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1js8 h GLU 2781CO 0.05 1.12 0.29 1.25 -1.00 0.00 0.00 179.01 180.72 1js8 h LEU 2782N 0.72 0.87 -0.71 1.33 5.85 -1.03 -0.83 115.31 121.51 1js8 h LEU 2782Ca 0.07 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1js8 h LEU 2782Cb 0.93 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1js8 h LEU 2782CO 0.09 0.77 0.33 -0.08 -0.34 0.00 0.00 178.44 179.21 1js8 h GLU 2783N 0.90 1.03 -0.45 1.25 4.57 -1.36 0.28 114.58 120.80 1js8 h GLU 2783Ca 0.22 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1js8 h GLU 2783Cb 0.15 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1js8 h GLU 2783CO -0.02 0.82 0.20 1.49 -1.18 0.00 0.00 179.01 180.32 1js8 h GLU 2784N 1.00 0.66 -0.48 1.92 4.57 -1.24 -1.91 114.58 119.10 1js8 h GLU 2784Ca 0.24 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1js8 h GLU 2784Cb 0.14 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1js8 h GLU 2784CO -0.03 0.59 0.30 1.25 -1.18 0.00 0.00 179.01 179.94 1js8 h HIS 2785N 0.59 0.62 -0.25 0.92 2.76 -0.63 -2.31 115.15 116.83 1js8 h HIS 2785Ca 0.15 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.23 1js8 h HIS 2785Cb 0.16 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1js8 h HIS 2785CO -0.00 0.41 -0.26 -0.07 -1.30 0.00 0.00 177.93 176.71 1js8 h LEU 2786N 0.64 0.50 -0.05 0.26 3.38 -0.83 -2.98 115.31 116.22 1js8 h LEU 2786Ca 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1js8 h LEU 2786Cb -0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1js8 h LEU 2786CO -0.03 0.75 0.03 0.11 0.09 0.00 0.00 178.44 179.39 1js8 h LYS 2787N 0.44 0.07 -0.96 1.13 1.57 -1.06 -2.61 116.57 115.14 1js8 h LYS 2787Ca 0.06 -0.01 0.30 0.00 -1.87 0.00 0.00 60.65 59.13 1js8 h LYS 2787Cb 0.69 -0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.83 1js8 h LYS 2787CO 0.05 0.08 0.44 0.93 -0.57 0.00 0.00 179.45 180.38 1js8 h GLU 2788N 0.04 0.25 -0.26 3.15 5.08 -1.27 0.25 114.58 121.81 1js8 h GLU 2788Ca 0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1js8 h GLU 2788Cb 0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1js8 h GLU 2788CO -0.00 0.17 0.12 0.82 -1.00 0.00 0.00 179.01 179.11 1js8 h ILE 2789N 0.26 1.10 -0.14 3.13 2.04 -1.41 -1.17 117.51 121.31 1js8 h ILE 2789Ca 0.68 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 66.26 1js8 h ILE 2789Cb 1.51 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1js8 h ILE 2789CO -0.64 0.11 0.00 0.00 0.00 0.00 0.00 178.15 177.62 1js8 n GLN 2790N -4.45 1.51 0.00 2.37 6.02 0.86 -3.21 117.38 120.48 1js8 n GLN 2790Ca 0.01 -0.77 0.14 0.00 -0.01 0.00 0.00 57.00 56.37 1js8 n GLN 2790Cb 0.11 -1.32 0.49 0.00 1.02 0.00 0.00 30.24 30.55 1js8 n GLN 2790CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1js8 n HIS 2791N 0.02 0.00 -4.62 1.08 8.25 -0.44 -4.44 115.22 115.07 1js8 n HIS 2791Ca 0.14 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.27 1js8 n HIS 2791Cb 0.23 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.19 1js8 n HIS 2791CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1js8 s GLU 2792N -2.17 2.52 0.36 -0.41 0.41 -1.20 -4.72 118.70 113.50 1js8 s GLU 2792Ca 0.34 -0.71 -0.26 0.00 -0.41 0.00 0.00 54.97 53.92 1js8 s GLU 2792Cb 0.20 -2.45 -0.09 0.00 -1.78 0.00 0.00 34.13 30.02 1js8 s GLU 2792CO 0.40 0.61 1.11 -0.51 -0.49 0.00 0.00 175.26 176.38 1js8 s ASP 2793N -1.13 6.82 0.02 -0.19 1.01 -1.26 -4.00 116.67 117.93 1js8 s ASP 2793Ca 0.14 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.62 1js8 s ASP 2793Cb -0.11 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 1js8 s ASP 2793CO 0.04 -0.46 -0.03 -0.13 0.21 0.00 0.00 175.17 174.81 1js8 s ARG 2794N -2.12 0.31 -0.09 8.23 0.52 0.23 -4.92 118.95 121.10 1js8 s ARG 2794Ca 0.54 -0.61 0.01 0.00 -0.52 0.00 0.00 55.73 55.15 1js8 s ARG 2794Cb -0.28 0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.27 1js8 s ARG 2794CO 0.35 -0.05 -0.11 0.08 0.02 0.00 0.00 175.30 175.60 1js8 s VAL 2795N -1.45 3.31 0.05 3.52 1.01 -1.26 0.20 120.40 125.78 1js8 s VAL 2795Ca -0.16 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.30 1js8 s VAL 2795Cb -0.10 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1js8 s VAL 2795CO -0.01 0.56 -0.23 -0.36 0.00 0.00 0.00 175.10 175.06 1js8 s PHE 2796N -0.27 1.97 0.10 5.22 0.08 0.47 -1.02 117.98 124.53 1js8 s PHE 2796Ca 0.03 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.56 1js8 s PHE 2796Cb -0.13 -1.17 -0.06 0.00 -0.57 0.00 0.00 43.02 41.09 1js8 s PHE 2796CO 0.03 0.12 0.47 0.00 -0.10 0.00 0.00 175.22 175.73 1js8 s ALA 2797N -0.83 3.65 -0.03 5.36 0.00 0.89 -1.65 121.76 129.15 1js8 s ALA 2797Ca 0.09 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.85 1js8 s ALA 2797Cb -0.09 -2.41 -0.00 0.00 0.00 0.00 0.00 23.12 20.62 1js8 s ALA 2797CO 0.02 0.50 -0.13 0.20 0.00 0.00 0.00 175.76 176.35 1js8 s GLY 2798N -1.62 0.74 -0.04 0.00 0.00 0.51 -1.11 107.32 105.79 1js8 s GLY 2798Ca 0.34 -0.52 0.07 0.00 0.00 0.00 0.00 44.72 44.60 1js8 s GLY 2798CO 0.18 -0.23 -0.25 -1.36 0.00 0.00 0.00 173.10 171.44 1js8 s PHE 2799N 0.11 2.38 -0.32 1.90 0.40 0.44 -1.29 117.98 121.61 1js8 s PHE 2799Ca -0.03 -0.60 -0.14 0.00 -0.60 0.00 0.00 56.93 55.55 1js8 s PHE 2799Cb -0.10 -1.55 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 1js8 s PHE 2799CO 0.01 -0.14 0.33 -0.51 0.70 0.00 0.00 175.22 175.61 1js8 s LEU 2800N -0.36 4.32 0.04 -0.37 1.43 -1.26 -0.42 118.68 122.06 1js8 s LEU 2800Ca 0.02 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1js8 s LEU 2800Cb -0.12 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1js8 s LEU 2800CO 0.02 -0.26 -0.10 -0.76 0.23 0.00 0.00 176.35 175.48 1js8 s LEU 2801N 1.96 3.02 0.18 1.79 1.43 -1.26 -4.41 118.68 121.38 1js8 s LEU 2801Ca 0.11 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 1js8 s LEU 2801Cb -0.16 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1js8 s LEU 2801CO 0.11 0.24 0.40 0.00 0.23 0.00 0.00 176.35 177.33 1js8 s ARG 2802N -1.67 1.26 0.21 1.70 1.70 -1.26 -1.83 118.95 119.06 1js8 s ARG 2802Ca 0.18 -1.01 -0.31 0.00 -0.47 0.00 0.00 55.73 54.11 1js8 s ARG 2802Cb -0.11 0.45 -0.15 0.00 -0.57 0.00 0.00 34.95 34.57 1js8 s ARG 2802CO 0.09 -0.50 1.09 2.41 -1.08 0.00 0.00 175.30 177.31 1js8 n THR 2803N -0.27 1.28 -0.26 4.99 -1.04 0.25 -4.90 114.28 114.32 1js8 n THR 2803Ca -0.09 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 1js8 n THR 2803Cb 0.63 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 1js8 n THR 2803CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1js8 n ILE 2804N 1.04 0.57 -1.87 12.58 -5.35 -1.26 -5.00 119.36 120.08 1js8 n ILE 2804Ca 0.13 -0.65 -0.16 0.00 -0.27 0.00 0.00 62.75 61.80 1js8 n ILE 2804Cb 0.27 0.77 -0.04 0.00 -1.74 0.00 0.00 39.64 38.90 1js8 n ILE 2804CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1js8 n GLY 2805N -0.29 0.68 3.69 3.28 0.00 -1.26 -4.95 105.19 106.35 1js8 n GLY 2805Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 46.02 45.77 1js8 n GLY 2805CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1js8 s GLN 2806N -4.04 0.70 0.06 1.61 -2.07 -1.26 -3.38 119.66 111.27 1js8 s GLN 2806Ca 0.00 -0.39 -0.18 0.00 -1.82 0.00 0.00 55.36 52.97 1js8 s GLN 2806Cb 0.00 0.23 -0.06 0.00 -1.09 0.00 0.00 33.01 32.09 1js8 s GLN 2806CO 0.00 -0.32 0.53 -1.12 -1.32 0.00 0.00 175.29 173.06 1js8 s SER 2807N -3.03 7.00 0.01 12.60 0.01 -1.19 -3.56 113.70 125.53 1js8 s SER 2807Ca 0.15 1.18 -0.14 0.00 1.31 0.00 0.00 55.95 58.45 1js8 s SER 2807Cb 0.02 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 63.94 1js8 s SER 2807CO -0.01 0.29 0.30 0.00 0.41 0.00 0.00 173.24 174.22 1js8 s ALA 2808N -1.11 -0.73 -0.12 1.44 0.00 -0.16 -3.76 121.76 117.33 1js8 s ALA 2808Ca 0.28 0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.40 1js8 s ALA 2808Cb -0.19 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1js8 s ALA 2808CO 0.18 -0.31 -0.02 -0.51 0.00 0.00 0.00 175.76 175.09 1js8 s ASP 2809N -1.60 5.00 -0.14 0.00 1.01 -0.31 -0.42 116.67 120.22 1js8 s ASP 2809Ca -0.10 -0.00 0.00 0.00 0.71 0.00 0.00 52.55 53.15 1js8 s ASP 2809Cb -0.04 -1.61 -0.01 0.00 1.01 0.00 0.00 42.92 42.27 1js8 s ASP 2809CO 0.01 0.27 -0.14 -0.69 0.21 0.00 0.00 175.17 174.83 1js8 s VAL 2810N -0.22 2.93 0.09 -1.27 1.01 -0.01 -0.85 120.40 122.08 1js8 s VAL 2810Ca 0.05 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1js8 s VAL 2810Cb -0.13 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1js8 s VAL 2810CO 0.02 0.52 -0.22 0.20 0.00 0.00 0.00 175.10 175.63 1js8 s ASN 2811N 0.49 2.63 0.01 3.32 0.01 -0.71 -1.99 114.94 118.69 1js8 s ASN 2811Ca -0.10 -0.64 -0.16 0.00 -0.71 0.00 0.00 52.86 51.25 1js8 s ASN 2811Cb -0.16 -0.17 0.03 0.00 0.41 0.00 0.00 41.25 41.36 1js8 s ASN 2811CO 0.04 0.11 0.35 0.72 -1.51 0.00 0.00 177.10 176.82 1js8 s PHE 2812N -1.03 -0.21 0.22 2.20 -0.12 -0.93 -0.86 117.98 117.25 1js8 s PHE 2812Ca 0.08 0.25 0.12 0.00 -0.05 0.00 0.00 56.93 57.33 1js8 s PHE 2812Cb -0.10 0.14 -0.05 0.00 -0.63 0.00 0.00 43.02 42.39 1js8 s PHE 2812CO 0.04 -0.47 -0.22 -0.51 -0.05 0.00 0.00 175.22 174.01 1js8 s ASP 2813N -1.61 3.50 -0.18 1.98 1.01 0.20 0.13 116.67 121.70 1js8 s ASP 2813Ca -0.10 -0.91 -0.09 0.00 0.71 0.00 0.00 52.55 52.16 1js8 s ASP 2813Cb -0.03 -0.28 -0.05 0.00 1.01 0.00 0.00 42.92 43.58 1js8 s ASP 2813CO 0.02 0.10 0.10 -0.69 0.21 0.00 0.00 175.17 174.91 1js8 s VAL 2814N -1.93 5.17 -0.05 -1.27 1.01 0.10 -0.27 120.40 123.16 1js8 s VAL 2814Ca 0.24 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1js8 s VAL 2814Cb -0.07 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1js8 s VAL 2814CO 0.12 0.47 -0.12 0.00 0.00 0.00 0.00 175.10 175.57 1js8 s THR 2816N 0.45 3.34 0.36 0.00 -4.23 0.87 -0.52 115.64 115.92 1js8 s THR 2816Ca -0.10 0.43 0.08 0.00 -1.18 0.00 0.00 61.69 60.92 1js8 s THR 2816Cb -0.13 -2.92 0.31 0.00 1.34 0.00 0.00 72.50 71.09 1js8 s THR 2816CO 0.03 -0.57 1.92 0.11 -0.54 0.00 0.00 174.62 175.57 1js8 h LYS 2817N -1.12 0.69 0.00 3.99 1.79 -1.88 -0.87 116.57 119.16 1js8 h LYS 2817Ca -0.43 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1js8 h LYS 2817Cb 1.23 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1js8 h LYS 2817CO 0.51 0.46 0.00 -0.40 -1.08 0.00 0.00 179.45 178.94 1js8 n ASP 2818N -4.51 0.00 0.00 0.86 5.75 -1.26 -4.83 116.55 112.56 1js8 n ASP 2818Ca 0.13 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 1js8 n ASP 2818Cb 0.34 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1js8 n ASP 2818CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1js8 n GLY 2819N -0.49 1.01 3.70 6.12 0.00 -0.33 -5.07 105.19 110.12 1js8 n GLY 2819Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1js8 n GLY 2819CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1js8 s GLU 2820N -0.74 4.36 0.24 1.61 2.12 -1.25 -4.88 118.70 120.16 1js8 s GLU 2820Ca 0.00 0.82 0.06 0.00 0.36 0.00 0.00 54.97 56.21 1js8 s GLU 2820Cb 0.00 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.84 1js8 s GLU 2820CO 0.00 -0.07 -0.08 0.00 -0.54 0.00 0.00 175.26 174.57 1js8 s THR 2822N -3.07 0.08 0.21 0.00 -1.32 -0.07 -4.98 115.64 106.49 1js8 s THR 2822Ca 0.26 -0.63 -0.32 0.00 -1.21 0.00 0.00 61.69 59.79 1js8 s THR 2822Cb 0.02 -0.63 -0.13 0.00 -1.51 0.00 0.00 72.50 70.26 1js8 s THR 2822CO 0.09 -0.35 1.66 0.33 -2.21 0.00 0.00 174.62 174.14 1js8 n PHE 2823N 1.17 2.62 -0.09 9.09 7.35 -1.26 -0.72 117.46 135.63 1js8 n PHE 2823Ca -0.21 0.14 -0.11 0.00 -0.76 0.00 0.00 57.45 56.51 1js8 n PHE 2823Cb 0.57 -2.62 -0.04 0.00 0.35 0.00 0.00 39.48 37.73 1js8 n PHE 2823CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1js8 n GLY 2824N 3.50 -0.70 0.00 7.13 0.00 0.12 -4.68 105.19 110.55 1js8 n GLY 2824Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1js8 n GLY 2824CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1js8 n GLY 2825N 1.49 -1.15 3.01 -0.02 0.00 -1.06 -4.92 105.19 102.54 1js8 n GLY 2825Ca -0.17 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 1js8 n GLY 2825CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1js8 s THR 2826N -2.02 0.01 0.03 2.61 2.01 -1.26 -2.19 115.64 114.82 1js8 s THR 2826Ca 0.00 -0.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 1js8 s THR 2826Cb 0.00 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.32 1js8 s THR 2826CO 0.00 -0.04 0.25 0.72 -0.69 0.00 0.00 174.62 174.86 1js8 s PHE 2827N -0.08 -0.04 0.18 4.92 -0.12 -0.84 -5.00 117.98 117.00 1js8 s PHE 2827Ca -0.01 -0.07 0.11 0.00 -0.05 0.00 0.00 56.93 56.90 1js8 s PHE 2827Cb -0.02 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1js8 s PHE 2827CO 0.00 -0.43 -0.23 0.00 -0.05 0.00 0.00 175.22 174.51 1js8 s ILE 2829N -1.66 1.74 -0.22 0.00 1.01 0.45 -4.76 121.20 117.76 1js8 s ILE 2829Ca 0.19 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.94 1js8 s ILE 2829Cb -0.08 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 1js8 s ILE 2829CO 0.09 0.49 0.25 -0.22 0.00 0.00 0.00 174.94 175.55 1js8 s LEU 2830N 0.99 4.13 0.00 2.97 2.96 -1.26 -0.98 118.68 127.49 1js8 s LEU 2830Ca -0.05 0.26 -0.12 0.00 -0.22 0.00 0.00 54.13 54.01 1js8 s LEU 2830Cb -0.15 -2.26 0.04 0.00 0.50 0.00 0.00 46.19 44.33 1js8 s LEU 2830CO -0.03 0.02 0.58 0.61 -1.32 0.00 0.00 176.35 176.20 1js8 n GLY 2831N 4.13 1.08 0.00 7.98 0.00 -1.23 -4.84 105.19 112.31 1js8 n GLY 2831Ca -0.13 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1js8 n GLY 2831CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1js8 n GLY 2832N -0.40 0.17 3.74 -0.02 0.00 -1.26 -3.17 105.19 104.25 1js8 n GLY 2832Ca -0.03 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1js8 n GLY 2832CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1js8 n GLU 2833N -0.01 2.24 -0.99 1.61 2.13 -1.22 -2.37 120.64 122.04 1js8 n GLU 2833Ca 0.00 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1js8 n GLU 2833Cb 0.00 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.15 1js8 n GLU 2833CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1js8 n HIS 2834N -0.05 0.00 -1.88 4.31 8.25 -1.26 -4.88 115.22 119.70 1js8 n HIS 2834Ca 0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.18 1js8 n HIS 2834Cb 0.40 -0.34 0.03 0.00 1.12 0.00 0.00 29.99 31.20 1js8 n HIS 2834CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1js8 s GLU 2835N -0.33 3.00 0.55 -0.41 -1.05 -1.00 -2.15 118.70 117.31 1js8 s GLU 2835Ca 0.00 1.35 -0.17 0.00 -0.15 0.00 0.00 54.97 56.00 1js8 s GLU 2835Cb 0.00 -1.98 -0.06 0.00 -0.44 0.00 0.00 34.13 31.66 1js8 s GLU 2835CO 0.00 -1.09 1.05 0.00 0.95 0.00 0.00 175.26 176.17 1js8 s MET 2836N -4.02 3.52 0.37 -4.83 0.00 -1.26 -4.89 119.30 108.19 1js8 s MET 2836Ca 0.66 1.23 -0.28 0.00 0.00 0.00 0.00 55.69 57.31 1js8 s MET 2836Cb -0.19 -2.06 -0.11 0.00 0.00 0.00 0.00 34.83 32.47 1js8 s MET 2836CO 0.39 -0.65 1.50 0.12 0.00 0.00 0.00 175.02 176.38 1js8 s PHE 2837N -2.32 2.58 -0.06 3.16 5.36 -1.26 -4.99 117.98 120.45 1js8 s PHE 2837Ca 0.64 1.14 -0.20 0.00 -0.96 0.00 0.00 56.93 57.55 1js8 s PHE 2837Cb -0.16 -4.04 0.04 0.00 -0.34 0.00 0.00 43.02 38.53 1js8 s PHE 2837CO 0.31 -3.07 0.45 1.67 -1.46 0.00 0.00 175.22 173.13 1js8 s TRP 2838N -1.05 -0.40 -0.25 10.12 1.48 -1.26 -5.04 118.94 122.55 1js8 s TRP 2838Ca 0.54 0.75 -0.11 0.00 -1.06 0.00 0.00 56.10 56.21 1js8 s TRP 2838Cb -0.47 0.20 0.09 0.00 -1.16 0.00 0.00 33.47 32.14 1js8 s TRP 2838CO 0.62 -0.42 0.57 0.00 -4.06 0.00 0.00 176.95 173.67 1js8 s ALA 2839N -0.91 -1.62 0.53 2.67 0.00 -1.25 -0.58 121.76 120.60 1js8 s ALA 2839Ca -0.10 2.05 -0.20 0.00 0.00 0.00 0.00 51.96 53.72 1js8 s ALA 2839Cb -0.03 -1.39 -0.07 0.00 0.00 0.00 0.00 23.12 21.63 1js8 s ALA 2839CO 0.05 -0.56 1.11 -0.06 0.00 0.00 0.00 175.76 176.29 1js8 s PHE 2840N 2.09 2.76 -1.35 0.00 0.08 -0.76 -4.91 117.98 115.88 1js8 s PHE 2840Ca -0.07 1.55 0.16 0.00 0.12 0.00 0.00 56.93 58.69 1js8 s PHE 2840Cb -0.09 -3.23 0.59 0.00 -0.57 0.00 0.00 43.02 39.72 1js8 s PHE 2840CO -0.17 -1.38 1.48 -0.40 -0.10 0.00 0.00 175.22 174.66 1js8 n ASP 2841N -1.20 3.92 -3.37 1.36 5.75 -1.26 -4.78 116.55 116.97 1js8 n ASP 2841Ca 0.11 -2.31 -0.09 0.00 -0.01 0.00 0.00 54.79 52.49 1js8 n ASP 2841Cb 0.51 -0.51 -0.01 0.00 -1.03 0.00 0.00 41.12 40.09 1js8 n ASP 2841CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1js8 s ARG 2842N -1.69 1.98 0.28 0.11 1.70 -1.26 -5.16 118.95 114.91 1js8 s ARG 2842Ca 0.42 -1.33 -0.22 0.00 -0.47 0.00 0.00 55.73 54.14 1js8 s ARG 2842Cb 0.26 0.58 -0.09 0.00 -0.57 0.00 0.00 34.95 35.13 1js8 s ARG 2842CO 0.22 -0.90 0.83 -0.51 -1.08 0.00 0.00 175.30 173.85 1js8 s LEU 2843N -3.04 4.30 -0.27 -1.89 1.43 -1.26 -4.70 118.68 113.25 1js8 s LEU 2843Ca 0.17 1.59 -0.16 0.00 -1.03 0.00 0.00 54.13 54.70 1js8 s LEU 2843Cb -0.04 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.30 1js8 s LEU 2843CO 0.11 -0.05 0.44 0.12 0.23 0.00 0.00 176.35 177.20 1js8 s PHE 2844N -1.63 3.25 -0.00 0.29 5.36 0.43 -4.83 117.98 120.86 1js8 s PHE 2844Ca 0.48 0.51 -0.19 0.00 -0.96 0.00 0.00 56.93 56.76 1js8 s PHE 2844Cb -0.16 -2.65 -0.06 0.00 -0.34 0.00 0.00 43.02 39.81 1js8 s PHE 2844CO 0.21 -0.26 0.54 0.15 -1.46 0.00 0.00 175.22 174.41 1js8 s LYS 2845N 2.18 4.23 -0.08 10.12 1.02 -1.26 -0.42 119.74 135.54 1js8 s LYS 2845Ca 0.18 0.64 -0.00 0.00 0.02 0.00 0.00 55.97 56.81 1js8 s LYS 2845Cb -0.16 -3.31 0.02 0.00 -0.52 0.00 0.00 37.83 33.86 1js8 s LYS 2845CO 0.10 0.45 -0.04 -0.47 -0.92 0.00 0.00 175.35 174.47 1js8 s TYR 2846N -0.42 0.95 -0.21 3.18 6.14 -0.27 -4.99 117.35 121.73 1js8 s TYR 2846Ca 0.29 -0.35 -0.29 0.00 0.64 0.00 0.00 57.07 57.35 1js8 s TYR 2846Cb -0.18 -0.90 -0.01 0.00 0.42 0.00 0.00 41.96 41.29 1js8 s TYR 2846CO 0.16 -0.34 1.33 0.34 0.64 0.00 0.00 175.55 177.67 1js8 s ASP 2847N 1.57 6.79 -0.11 4.32 -1.08 -1.26 -0.08 116.67 126.81 1js8 s ASP 2847Ca -0.00 1.54 0.15 0.00 -0.52 0.00 0.00 52.55 53.72 1js8 s ASP 2847Cb -0.13 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.11 1js8 s ASP 2847CO -0.04 -0.92 1.22 2.30 0.52 0.00 0.00 175.17 178.24 1js8 n ILE 2848N 5.76 1.80 -0.26 4.11 -5.35 -0.19 -4.75 119.36 120.48 1js8 n ILE 2848Ca 0.15 -1.86 0.06 0.00 -0.27 0.00 0.00 62.75 60.83 1js8 n ILE 2848Cb 0.45 -0.07 0.18 0.00 -1.74 0.00 0.00 39.64 38.46 1js8 n ILE 2848CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1js8 h THR 2849N 0.71 0.41 -0.61 7.28 2.02 -1.90 -1.90 112.91 118.92 1js8 h THR 2849Ca 0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1js8 h THR 2849Cb 1.03 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1js8 h THR 2849CO 0.07 0.03 0.30 0.74 0.37 0.00 0.00 175.52 177.03 1js8 h THR 2850N 0.17 1.21 -0.65 3.16 2.02 -1.92 -1.77 112.91 115.13 1js8 h THR 2850Ca 0.43 -0.58 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 1js8 h THR 2850Cb 0.76 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1js8 h THR 2850CO -0.60 0.24 0.16 0.28 0.37 0.00 0.00 175.52 175.97 1js8 h SER 2851N 0.84 0.98 0.35 4.18 0.02 -1.66 -0.38 113.55 117.87 1js8 h SER 2851Ca 0.21 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1js8 h SER 2851Cb 0.10 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1js8 h SER 2851CO -0.03 0.96 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.38 1js8 h LEU 2852N 0.96 -0.40 -1.49 5.07 3.38 -1.23 -1.51 115.31 120.09 1js8 h LEU 2852Ca 0.20 -0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.30 1js8 h LEU 2852Cb 0.36 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1js8 h LEU 2852CO 0.00 -0.22 0.55 0.11 0.09 0.00 0.00 178.44 178.98 1js8 h LYS 2853N -0.55 0.45 -0.26 1.13 1.79 -1.09 0.18 116.57 118.23 1js8 h LYS 2853Ca -0.05 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.31 1js8 h LYS 2853Cb 0.41 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1js8 h LYS 2853CO 0.08 0.30 -0.19 1.25 -1.08 0.00 0.00 179.45 179.81 1js8 h HIS 2854N 0.47 0.69 -0.06 -1.35 2.76 -0.56 -2.71 115.15 114.39 1js8 h HIS 2854Ca 0.42 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1js8 h HIS 2854Cb 0.94 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1js8 h HIS 2854CO -0.00 0.87 0.00 1.28 -1.30 0.00 0.00 177.93 178.78 1js8 n LEU 2855N -4.39 0.58 -2.63 0.26 4.77 -0.61 -4.86 117.00 110.11 1js8 n LEU 2855Ca -0.04 -0.25 -0.20 0.00 -0.03 0.00 0.00 56.01 55.49 1js8 n LEU 2855Cb 0.40 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1js8 n LEU 2855CO 0.42 0.12 -0.16 0.54 -1.33 0.00 0.00 177.39 176.98 1js8 n ARG 2856N -0.39 -2.77 -2.58 3.23 1.74 -0.24 -4.96 116.66 110.69 1js8 n ARG 2856Ca 0.14 0.90 -0.32 0.00 -0.77 0.00 0.00 57.85 57.79 1js8 n ARG 2856Cb 0.15 -5.62 -0.04 0.00 -1.02 0.00 0.00 32.46 25.93 1js8 n ARG 2856CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1js8 s LEU 2857N -6.19 3.74 0.16 0.55 1.43 0.47 -4.97 118.68 113.87 1js8 s LEU 2857Ca 0.11 1.54 0.06 0.00 -1.03 0.00 0.00 54.13 54.81 1js8 s LEU 2857Cb -0.05 -4.45 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 1js8 s LEU 2857CO 0.13 -0.49 0.05 -0.62 0.23 0.00 0.00 176.35 175.65 1js8 s ASP 2858N -2.82 5.08 0.33 2.29 -1.08 -1.26 -4.40 116.67 114.80 1js8 s ASP 2858Ca 0.59 -0.27 0.10 0.00 -0.52 0.00 0.00 52.55 52.45 1js8 s ASP 2858Cb -0.10 -1.19 0.90 0.00 -1.46 0.00 0.00 42.92 41.07 1js8 s ASP 2858CO 0.26 0.09 1.74 0.00 0.52 0.00 0.00 175.17 177.78 1js8 h ALA 2859N 2.68 1.84 -0.15 3.66 0.00 -1.99 0.11 119.26 125.40 1js8 h ALA 2859Ca -0.47 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1js8 h ALA 2859Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1js8 h ALA 2859CO 0.60 -0.29 0.00 -2.39 0.00 0.00 0.00 179.25 177.17 1js8 n HIS 2860N -4.83 0.19 -1.43 0.00 1.44 -1.26 -4.87 115.22 104.46 1js8 n HIS 2860Ca 0.26 -0.10 -0.31 0.00 -2.01 0.00 0.00 57.72 55.57 1js8 n HIS 2860Cb 0.74 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.93 1js8 n HIS 2860CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1js8 s ASP 2861N -1.60 4.81 -0.18 4.39 1.01 0.37 -5.00 116.67 120.47 1js8 s ASP 2861Ca 0.33 1.64 -0.14 0.00 0.71 0.00 0.00 52.55 55.08 1js8 s ASP 2861Cb 0.18 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 1js8 s ASP 2861CO 0.27 -1.81 0.32 -0.62 0.21 0.00 0.00 175.17 173.53 1js8 s ASP 2862N -3.64 6.42 0.15 0.27 2.15 -1.26 -4.91 116.67 115.85 1js8 s ASP 2862Ca 0.60 0.49 -0.13 0.00 0.43 0.00 0.00 52.55 53.94 1js8 s ASP 2862Cb -0.15 -2.19 0.01 0.00 -0.30 0.00 0.00 42.92 40.28 1js8 s ASP 2862CO 0.55 0.04 0.36 0.72 -0.17 0.00 0.00 175.17 176.67 1js8 s PHE 2863N 0.75 0.07 0.29 -5.34 -0.12 -1.26 -4.09 117.98 108.29 1js8 s PHE 2863Ca 0.17 -0.43 0.08 0.00 -0.05 0.00 0.00 56.93 56.70 1js8 s PHE 2863Cb -0.14 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 1js8 s PHE 2863CO 0.05 -0.73 0.10 -0.51 -0.05 0.00 0.00 175.22 174.08 1js8 s ASP 2864N -2.88 4.87 -0.18 1.98 1.01 0.32 -4.94 116.67 116.85 1js8 s ASP 2864Ca 0.09 -0.57 0.01 0.00 0.71 0.00 0.00 52.55 52.79 1js8 s ASP 2864Cb 0.02 -0.96 0.02 0.00 1.01 0.00 0.00 42.92 43.01 1js8 s ASP 2864CO -0.06 -0.11 -0.19 -0.63 0.21 0.00 0.00 175.17 174.40 1js8 s ILE 2865N -2.30 2.01 -0.25 0.77 -1.09 -1.26 -0.29 121.20 118.80 1js8 s ILE 2865Ca 0.34 -0.94 -0.09 0.00 -2.23 0.00 0.00 60.65 57.73 1js8 s ILE 2865Cb -0.06 -1.84 -0.04 0.00 -1.58 0.00 0.00 42.46 38.94 1js8 s ILE 2865CO 0.22 0.50 0.12 -0.54 -1.23 0.00 0.00 174.94 174.01 1js8 s LYS 2866N 1.30 3.87 -0.09 2.79 3.01 0.63 -4.92 119.74 126.33 1js8 s LYS 2866Ca 0.04 -0.37 -0.01 0.00 -1.01 0.00 0.00 55.97 54.62 1js8 s LYS 2866Cb -0.13 -3.44 -0.03 0.00 -1.01 0.00 0.00 37.83 33.21 1js8 s LYS 2866CO -0.12 -0.07 -0.02 0.08 0.51 0.00 0.00 175.35 175.73 1js8 s VAL 2867N 1.36 4.08 -0.11 3.17 1.01 -1.26 -0.63 120.40 128.03 1js8 s VAL 2867Ca 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1js8 s VAL 2867Cb -0.15 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.55 1js8 s VAL 2867CO 0.06 0.59 -0.06 -0.89 0.00 0.00 0.00 175.10 174.80 1js8 s THR 2868N -0.72 0.87 -0.18 3.92 2.01 -0.04 -5.00 115.64 116.51 1js8 s THR 2868Ca 0.11 -0.21 -0.08 0.00 0.31 0.00 0.00 61.69 61.82 1js8 s THR 2868Cb -0.11 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1js8 s THR 2868CO 0.02 0.33 0.08 -0.63 -0.69 0.00 0.00 174.62 173.72 1js8 s ILE 2869N 1.77 4.93 -0.03 1.82 1.01 -1.26 -1.73 121.20 127.70 1js8 s ILE 2869Ca 0.05 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.75 1js8 s ILE 2869Cb -0.13 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.12 1js8 s ILE 2869CO -0.08 0.46 -0.13 -0.54 0.00 0.00 0.00 174.94 174.66 1js8 s LYS 2870N 0.31 1.24 1.04 2.79 1.02 -0.03 -0.62 119.74 125.49 1js8 s LYS 2870Ca 0.04 -0.44 -0.12 0.00 0.02 0.00 0.00 55.97 55.47 1js8 s LYS 2870Cb -0.12 -1.14 0.21 0.00 -0.52 0.00 0.00 37.83 36.26 1js8 s LYS 2870CO -0.00 0.20 1.08 0.20 -0.92 0.00 0.00 175.35 175.90 1js8 s GLY 2871N 0.02 1.56 0.53 -3.33 0.00 0.99 -1.16 107.32 105.93 1js8 s GLY 2871Ca -0.01 -0.27 0.33 0.00 0.00 0.00 0.00 44.72 44.77 1js8 s GLY 2871CO 0.01 0.36 1.98 0.16 0.00 0.00 0.00 173.10 175.61 1js8 h ILE 2872N -2.07 0.00 0.00 0.90 3.07 -1.89 -2.15 117.51 115.37 1js8 h ILE 2872Ca -0.56 -0.45 -0.17 0.00 1.55 0.00 0.00 64.86 65.23 1js8 h ILE 2872Cb 1.33 1.41 -0.02 0.00 -0.27 0.00 0.00 36.82 39.26 1js8 h ILE 2872CO 0.55 0.00 -0.82 -2.24 -1.05 0.00 0.00 178.15 174.59 1js8 h ASP 2873N 0.00 0.00 0.00 2.16 3.04 -1.90 -3.36 116.42 116.36 1js8 h ASP 2873Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1js8 h ASP 2873Cb 0.46 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.75 1js8 h ASP 2873CO 0.00 0.82 0.00 0.61 -2.04 0.00 0.00 179.24 178.63 1js8 n GLY 2874N 1.11 0.61 3.72 7.15 0.00 -0.81 -5.02 105.19 111.95 1js8 n GLY 2874Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1js8 n GLY 2874CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1js8 s HIS 2875N -1.49 3.64 0.15 1.61 3.76 -1.26 -4.76 115.29 116.94 1js8 s HIS 2875Ca 0.00 1.45 -0.31 0.00 -0.15 0.00 0.00 55.06 56.05 1js8 s HIS 2875Cb 0.00 -2.91 -0.09 0.00 1.11 0.00 0.00 32.58 30.68 1js8 s HIS 2875CO 0.00 0.09 1.48 0.08 -0.85 0.00 0.00 174.74 175.54 1js8 s VAL 2876N 0.69 2.94 0.08 -0.90 1.01 -1.26 -0.01 120.40 122.95 1js8 s VAL 2876Ca 0.43 0.68 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1js8 s VAL 2876Cb -0.19 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1js8 s VAL 2876CO 0.22 0.06 0.23 -0.76 0.00 0.00 0.00 175.10 174.85 1js8 s LEU 2877N 1.02 4.35 0.31 3.92 1.43 0.21 -4.88 118.68 125.03 1js8 s LEU 2877Ca 0.67 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.74 1js8 s LEU 2877Cb -0.40 -2.96 -0.13 0.00 0.03 0.00 0.00 46.19 42.73 1js8 s LEU 2877CO 0.31 0.14 1.31 -0.24 0.23 0.00 0.00 176.35 178.11 1js8 n SER 2878N 0.11 2.69 0.00 2.29 2.88 -1.26 -4.39 113.62 115.94 1js8 n SER 2878Ca -0.05 1.19 0.07 0.00 -1.33 0.00 0.00 58.87 58.74 1js8 n SER 2878Cb 0.52 -1.46 0.40 0.00 -0.75 0.00 0.00 64.21 62.92 1js8 n SER 2878CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1js8 n ASN 2879N 1.22 0.00 0.18 -3.46 3.02 -1.26 -2.13 115.26 112.82 1js8 n ASN 2879Ca 0.07 -0.73 0.05 0.00 -0.03 0.00 0.00 54.58 53.94 1js8 n ASN 2879Cb 0.34 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.82 1js8 n ASN 2879CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1js8 h LYS 2880N 0.00 0.00 0.00 3.52 1.57 -2.01 -3.14 116.57 116.51 1js8 h LYS 2880Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1js8 h LYS 2880Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1js8 h LYS 2880CO 0.00 0.39 -0.22 1.88 -0.57 0.00 0.00 179.45 180.94 1js8 h TYR 2881N 0.00 0.00 -3.45 -1.35 0.05 -1.81 -3.42 116.97 106.99 1js8 h TYR 2881Ca -0.00 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.11 1js8 h TYR 2881Cb 0.94 0.00 -0.33 0.00 1.01 0.00 0.00 36.73 38.35 1js8 h TYR 2881CO 0.00 0.22 -0.88 -1.17 -1.05 0.00 0.00 178.16 175.28 1js8 s LEU 2882N -8.54 2.05 0.64 3.88 0.20 -1.19 -4.80 118.68 110.93 1js8 s LEU 2882Ca -0.04 -0.53 -0.15 0.00 0.69 0.00 0.00 54.13 54.10 1js8 s LEU 2882Cb 0.15 -1.36 -0.01 0.00 -0.43 0.00 0.00 46.19 44.55 1js8 s LEU 2882CO 0.70 0.16 1.09 -0.44 -0.29 0.00 0.00 176.35 177.58 1js8 s SER 2883N 0.29 5.31 0.33 3.68 0.01 -1.26 -4.95 113.70 117.11 1js8 s SER 2883Ca -0.16 1.92 -0.29 0.00 1.31 0.00 0.00 55.95 58.73 1js8 s SER 2883Cb -0.17 -2.54 -0.11 0.00 0.21 0.00 0.00 66.02 63.41 1js8 s SER 2883CO 0.08 -1.49 1.51 -2.84 0.41 0.00 0.00 173.24 170.90 1js8 s PRO 2884N -4.15 4.14 0.83 12.44 0.02 -1.26 -4.75 135.00 142.27 1js8 s PRO 2884Ca 0.65 2.53 -0.10 0.00 0.02 0.00 0.00 61.00 64.10 1js8 s PRO 2884Cb -0.19 -3.01 0.09 0.00 0.02 0.00 0.00 34.50 31.42 1js8 s PRO 2884CO 0.41 -0.53 1.11 -1.25 -0.33 0.00 0.00 177.00 176.40 1js8 s PRO 2885N -1.36 1.79 0.26 5.54 0.04 -1.26 -4.87 135.00 135.14 1js8 s PRO 2885Ca 0.57 1.27 0.07 0.00 0.04 0.00 0.00 61.00 62.95 1js8 s PRO 2885Cb -0.46 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 1js8 s PRO 2885CO 0.55 -2.00 0.20 0.99 0.04 0.00 0.00 177.00 176.78 1js8 s THR 2886N -2.82 4.29 -0.05 1.26 2.01 -0.41 -4.90 115.64 115.03 1js8 s THR 2886Ca 0.63 -1.42 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1js8 s THR 2886Cb -0.19 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 68.99 1js8 s THR 2886CO 0.57 -0.33 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.44 1js8 s VAL 2887N -2.16 0.55 0.06 3.82 1.01 -1.26 -0.37 120.40 122.05 1js8 s VAL 2887Ca 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 1js8 s VAL 2887Cb -0.08 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1js8 s VAL 2887CO 0.25 0.24 -0.01 0.72 0.00 0.00 0.00 175.10 176.30 1js8 s PHE 2888N 1.10 0.51 -0.01 5.22 -0.71 -0.66 -4.97 117.98 118.46 1js8 s PHE 2888Ca -0.08 -1.05 -0.01 0.00 -1.04 0.00 0.00 56.93 54.75 1js8 s PHE 2888Cb -0.14 -0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.26 1js8 s PHE 2888CO -0.01 -0.39 0.12 -1.17 -1.34 0.00 0.00 175.22 172.42 1js8 s LEU 2889N -2.92 4.07 -0.42 -1.99 2.96 -1.26 -0.40 118.68 118.72 1js8 s LEU 2889Ca 0.07 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1js8 s LEU 2889Cb 0.08 -2.38 0.13 0.00 0.50 0.00 0.00 46.19 44.51 1js8 s LEU 2889CO -0.10 0.27 0.21 0.00 -1.32 0.00 0.00 176.35 175.41 1js8 s ALA 2890N -1.23 2.20 0.64 5.97 0.00 0.13 -4.96 121.76 124.51 1js8 s ALA 2890Ca 0.24 -2.51 -0.17 0.00 0.00 0.00 0.00 51.96 49.52 1js8 s ALA 2890Cb -0.12 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.11 1js8 s ALA 2890CO 0.15 -1.98 1.17 -1.25 0.00 0.00 0.00 175.76 173.85 1js8 s PRO 2891N 0.52 2.75 0.00 0.00 0.04 -1.26 -0.60 135.00 136.45 1js8 s PRO 2891Ca 0.16 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1js8 s PRO 2891Cb -0.23 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1js8 s PRO 2891CO -0.04 -1.34 0.06 0.00 0.04 0.00 0.00 177.00 175.72