#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpq s LEU 2503N 0.00 3.92 0.75 0.99 1.43 -1.26 -5.06 118.68 119.46 1qpq s LEU 2503Ca 0.00 1.86 -0.01 0.00 -1.03 0.00 0.00 54.13 54.95 1qpq s LEU 2503Cb 0.00 -4.50 0.15 0.00 0.03 0.00 0.00 46.19 41.87 1qpq s LEU 2503CO 0.00 -0.58 1.03 -0.94 0.23 0.00 0.00 176.35 176.09 1qpq s SER 2504N -1.99 4.17 0.38 2.29 1.04 -1.26 -4.75 113.70 113.58 1qpq s SER 2504Ca 0.64 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.65 1qpq s SER 2504Cb -0.14 0.19 0.76 0.00 0.10 0.00 0.00 66.02 66.92 1qpq s SER 2504CO 0.18 -2.00 2.02 0.44 0.98 0.00 0.00 173.24 174.87 1qpq h ASP 2505N -0.63 0.60 -0.01 7.02 3.32 -1.98 0.60 116.42 125.35 1qpq h ASP 2505Ca -0.35 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 1qpq h ASP 2505Cb 1.26 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1qpq h ASP 2505CO 0.37 0.43 -0.11 -0.25 -1.72 0.00 0.00 179.24 177.95 1qpq h TRP 2506N 0.70 0.13 -0.72 4.55 -0.00 -1.99 -1.89 115.95 116.74 1qpq h TRP 2506Ca 0.21 -0.07 -0.06 0.00 -0.00 0.00 0.00 58.89 58.97 1qpq h TRP 2506Cb -0.02 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 29.10 1qpq h TRP 2506CO -0.00 0.82 0.20 0.93 -0.00 0.00 0.00 178.44 180.39 1qpq h GLU 2507N -0.59 1.13 -0.03 2.65 5.08 -1.80 -0.06 114.58 120.95 1qpq h GLU 2507Ca -0.01 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1qpq h GLU 2507Cb 0.84 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1qpq h GLU 2507CO 0.02 0.98 0.02 1.25 -1.00 0.00 0.00 179.01 180.28 1qpq h LEU 2508N 1.07 0.03 -1.12 1.33 5.85 0.12 0.33 115.31 122.92 1qpq h LEU 2508Ca 0.23 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 1qpq h LEU 2508Cb 0.33 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1qpq h LEU 2508CO -0.00 0.03 0.11 0.00 -0.34 0.00 0.00 178.44 178.24 1qpq h ALA 2509N 1.00 1.29 -0.55 1.25 0.00 -1.04 0.41 119.26 121.63 1qpq h ALA 2509Ca 0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1qpq h ALA 2509Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1qpq h ALA 2509CO -0.00 0.50 -0.07 0.00 0.00 0.00 0.00 179.25 179.68 1qpq h ALA 2510N 1.42 0.84 0.10 0.00 0.00 -0.28 -1.55 119.26 119.79 1qpq h ALA 2510Ca 0.16 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qpq h ALA 2510Cb 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1qpq h ALA 2510CO -0.00 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.86 1qpq h ALA 2511N 1.01 -0.13 -0.99 0.00 0.00 0.62 -0.68 119.26 119.09 1qpq h ALA 2511Ca 0.15 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1qpq h ALA 2511Cb 0.61 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1qpq h ALA 2511CO 0.04 -0.51 0.65 0.00 0.00 0.00 0.00 179.25 179.43 1qpq h ARG 2512N -0.25 1.21 -0.36 0.00 3.08 -0.80 0.53 114.38 117.80 1qpq h ARG 2512Ca -0.01 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1qpq h ARG 2512Cb 0.20 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1qpq h ARG 2512CO 0.02 0.80 0.10 0.00 -1.07 0.00 0.00 179.97 179.82 1qpq h ALA 2513N 1.42 0.47 0.02 0.04 0.00 -1.03 -0.43 119.26 119.76 1qpq h ALA 2513Ca 0.40 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1qpq h ALA 2513Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1qpq h ALA 2513CO -0.13 0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.24 1qpq h ALA 2514N 0.94 -0.03 -0.74 0.00 0.00 -0.50 -1.91 119.26 117.02 1qpq h ALA 2514Ca 0.11 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1qpq h ALA 2514Cb 0.28 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1qpq h ALA 2514CO -0.00 -0.40 0.46 -0.84 0.00 0.00 0.00 179.25 178.48 1qpq h ILE 2515N -0.26 1.09 -0.95 0.00 -0.00 -0.85 0.39 117.51 116.94 1qpq h ILE 2515Ca -0.00 -0.31 0.09 0.00 -0.00 0.00 0.00 64.86 64.64 1qpq h ILE 2515Cb 0.25 0.11 -0.07 0.00 -0.00 0.00 0.00 36.82 37.11 1qpq h ILE 2515CO 0.00 0.16 0.60 0.00 -0.00 0.00 0.00 178.15 178.91 1qpq h ALA 2516N 1.32 1.37 -0.35 0.16 0.00 -1.00 0.19 119.26 120.95 1qpq h ALA 2516Ca 0.30 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 1qpq h ALA 2516Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1qpq h ALA 2516CO -0.12 0.29 -0.38 0.00 0.00 0.00 0.00 179.25 179.04 1qpq h ARG 2517N 1.02 0.83 0.33 0.00 3.08 -0.06 -2.58 114.38 117.00 1qpq h ARG 2517Ca 0.44 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1qpq h ARG 2517Cb 0.31 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1qpq h ARG 2517CO -0.22 1.06 -0.17 0.78 -1.07 0.00 0.00 179.97 180.36 1qpq h GLY 2518N 0.87 -0.48 1.26 0.04 0.00 0.18 -2.19 103.07 102.76 1qpq h GLY 2518Ca 0.06 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.59 1qpq h GLY 2518CO 0.09 -0.18 0.47 1.41 0.00 0.00 0.00 176.54 178.33 1qpq h LEU 2519N -0.46 0.79 -0.91 3.11 3.38 -0.76 -2.10 115.31 118.36 1qpq h LEU 2519Ca -0.04 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1qpq h LEU 2519Cb 0.36 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1qpq h LEU 2519CO 0.06 0.56 -0.18 -0.78 0.09 0.00 0.00 178.44 178.19 1qpq h ASP 2520N 0.92 0.60 -0.52 -0.43 3.58 -1.22 -0.51 116.42 118.84 1qpq h ASP 2520Ca 0.27 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.48 1qpq h ASP 2520Cb -0.05 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 1qpq h ASP 2520CO -0.07 0.79 0.13 -0.33 -2.88 0.00 0.00 179.24 176.88 1qpq h GLU 2521N 0.54 0.88 -0.16 0.28 5.08 -0.74 -0.12 114.58 120.33 1qpq h GLU 2521Ca 0.09 -0.19 -0.22 0.00 -1.00 0.00 0.00 59.36 58.04 1qpq h GLU 2521Cb 0.62 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1qpq h GLU 2521CO 0.04 0.79 -0.77 -0.44 -1.00 0.00 0.00 179.01 177.64 1qpq h ASP 2522N 0.85 0.95 0.45 1.42 3.32 -1.19 -3.33 116.42 118.88 1qpq h ASP 2522Ca 0.18 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1qpq h ASP 2522Cb 0.31 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1qpq h ASP 2522CO -0.00 1.42 -0.76 0.18 -1.72 0.00 0.00 179.24 178.35 1qpq n LEU 2523N -3.94 0.63 -0.34 1.55 4.77 -0.24 -4.49 117.00 114.94 1qpq n LEU 2523Ca -0.07 -0.05 0.24 0.00 -0.03 0.00 0.00 56.01 56.10 1qpq n LEU 2523Cb 0.74 -0.16 0.51 0.00 -2.33 0.00 0.00 43.42 42.19 1qpq n LEU 2523CO 0.53 0.09 1.21 -0.09 -1.33 0.00 0.00 177.39 177.80 1qpq h ARG 2524N 0.00 0.36 -0.02 3.23 2.43 -1.13 -0.91 114.38 118.34 1qpq h ARG 2524Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1qpq h ARG 2524Cb 0.61 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1qpq h ARG 2524CO 0.00 0.24 -0.01 0.66 -1.51 0.00 0.00 179.97 179.35 1qpq n TYR 2525N -4.67 0.00 0.00 2.20 4.01 -1.26 -5.02 117.16 112.42 1qpq n TYR 2525Ca 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 1qpq n TYR 2525Cb 0.93 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 1qpq n TYR 2525CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qpq n GLY 2526N 1.21 2.29 3.73 2.72 0.00 -0.35 -5.13 105.19 109.67 1qpq n GLY 2526Ca 0.18 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 1qpq n GLY 2526CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qpq s PRO 2527N -1.60 0.22 -1.19 1.61 0.04 -1.26 -4.53 135.00 128.30 1qpq s PRO 2527Ca 0.00 0.13 -0.20 0.00 0.04 0.00 0.00 61.00 60.97 1qpq s PRO 2527Cb 0.00 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 1qpq s PRO 2527CO 0.00 -2.79 1.91 -3.47 0.04 0.00 0.00 177.00 172.69 1qpq n ASP 2528N -4.15 3.68 -0.31 6.66 -0.08 -1.26 -4.76 116.55 116.33 1qpq n ASP 2528Ca 0.09 -2.78 0.10 0.00 -1.51 0.00 0.00 54.79 50.68 1qpq n ASP 2528Cb 0.59 -1.63 0.26 0.00 2.34 0.00 0.00 41.12 42.68 1qpq n ASP 2528CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1qpq h VAL 2529N 5.42 0.68 -0.40 5.18 3.04 -1.99 -1.65 116.25 126.54 1qpq h VAL 2529Ca 0.37 -0.21 -0.09 0.00 -1.01 0.00 0.00 66.70 65.75 1qpq h VAL 2529Cb 0.83 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.10 1qpq h VAL 2529CO 1.50 0.11 -0.12 0.00 -1.01 0.00 0.00 177.57 178.05 1qpq h THR 2530N 0.62 1.26 0.00 3.17 1.03 -1.99 -1.59 112.91 115.41 1qpq h THR 2530Ca 0.51 -1.16 -0.22 0.00 -0.01 0.00 0.00 66.41 65.53 1qpq h THR 2530Cb 0.78 1.08 -0.03 0.00 -1.07 0.00 0.00 68.15 68.91 1qpq h THR 2530CO -0.39 0.39 -1.06 0.71 -0.01 0.00 0.00 175.52 175.16 1qpq h THR 2531N 0.66 1.65 -0.58 0.00 1.35 -1.80 -2.42 112.91 111.75 1qpq h THR 2531Ca 0.11 -3.37 -0.03 0.00 -0.55 0.00 0.00 66.41 62.57 1qpq h THR 2531Cb 0.59 2.82 -0.03 0.00 -1.73 0.00 0.00 68.15 69.80 1qpq h THR 2531CO 0.04 0.94 0.23 -0.07 -0.25 0.00 0.00 175.52 176.41 1qpq h LEU 2532N 0.00 0.77 0.00 3.87 4.07 -1.19 0.62 115.31 123.46 1qpq h LEU 2532Ca -0.03 -0.10 -0.09 0.00 0.08 0.00 0.00 57.88 57.74 1qpq h LEU 2532Cb 1.79 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 43.32 1qpq h LEU 2532CO 0.13 0.70 -0.43 0.00 -1.08 0.00 0.00 178.44 177.76 1qpq h ALA 2533N 1.41 0.73 0.00 1.53 0.00 -1.21 -3.37 119.26 118.35 1qpq h ALA 2533Ca 0.20 -0.38 -0.31 0.00 0.00 0.00 0.00 54.91 54.42 1qpq h ALA 2533Cb 0.17 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1qpq h ALA 2533CO -0.02 0.52 -2.16 0.25 0.00 0.00 0.00 179.25 177.85 1qpq n THR 2534N -3.20 1.16 -4.45 0.00 -2.24 -0.92 -4.95 114.28 99.67 1qpq n THR 2534Ca 0.02 -0.71 -0.31 0.00 -2.27 0.00 0.00 64.05 60.78 1qpq n THR 2534Cb 0.70 -0.57 -0.16 0.00 -2.10 0.00 0.00 70.33 68.20 1qpq n THR 2534CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qpq s VAL 2535N -2.41 1.86 0.60 2.28 0.11 0.18 -5.09 120.40 117.93 1qpq s VAL 2535Ca -0.09 -0.85 -0.18 0.00 -2.93 0.00 0.00 61.98 57.94 1qpq s VAL 2535Cb 0.05 -1.67 -0.03 0.00 -1.53 0.00 0.00 36.38 33.20 1qpq s VAL 2535CO 0.69 0.51 1.16 -2.16 -3.33 0.00 0.00 175.10 171.96 1qpq s PRO 2536N 1.01 3.01 0.45 1.54 0.04 -1.26 -4.55 135.00 135.25 1qpq s PRO 2536Ca -0.04 1.65 0.22 0.00 0.04 0.00 0.00 61.00 62.87 1qpq s PRO 2536Cb -0.15 -1.95 1.21 0.00 0.04 0.00 0.00 34.50 33.65 1qpq s PRO 2536CO -0.05 -1.13 1.85 0.00 0.04 0.00 0.00 177.00 177.71 1qpq h ALA 2537N 0.73 2.41 0.00 8.56 0.00 -1.95 -1.10 119.26 127.91 1qpq h ALA 2537Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1qpq h ALA 2537Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1qpq h ALA 2537CO 0.55 -0.71 0.00 -1.13 0.00 0.00 0.00 179.25 177.96 1qpq n SER 2538N -4.46 0.44 -4.71 0.00 3.41 -1.26 -4.88 113.62 102.16 1qpq n SER 2538Ca 0.20 0.55 -0.39 0.00 -0.26 0.00 0.00 58.87 58.97 1qpq n SER 2538Cb 0.82 -0.67 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1qpq n SER 2538CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qpq n ALA 2539N -1.66 1.31 -3.22 7.33 0.00 -0.42 -4.94 120.51 118.92 1qpq n ALA 2539Ca 0.06 0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.53 1qpq n ALA 2539Cb 0.36 -2.29 -0.12 0.00 0.00 0.00 0.00 19.45 17.40 1qpq n ALA 2539CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1qpq s THR 2540N -1.29 -0.01 0.28 0.00 2.01 -1.26 -0.98 115.64 114.39 1qpq s THR 2540Ca 0.69 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.76 1qpq s THR 2540Cb -0.45 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 1qpq s THR 2540CO 0.52 0.01 0.22 0.42 -0.69 0.00 0.00 174.62 175.10 1qpq s THR 2541N 0.34 0.01 -0.13 -0.82 -4.23 -0.63 -4.79 115.64 105.39 1qpq s THR 2541Ca -0.02 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.48 1qpq s THR 2541Cb -0.03 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 1qpq s THR 2541CO -0.01 0.00 -0.10 -0.89 -0.54 0.00 0.00 174.62 173.08 1qpq s THR 2542N -3.70 3.37 0.10 3.99 2.01 -1.26 -1.59 115.64 118.55 1qpq s THR 2542Ca 0.40 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.88 1qpq s THR 2542Cb 0.04 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1qpq s THR 2542CO 0.22 0.52 -0.09 0.00 -0.69 0.00 0.00 174.62 174.58 1qpq s ALA 2543N 0.20 1.07 -0.00 7.40 0.00 0.25 -4.66 121.76 126.02 1qpq s ALA 2543Ca -0.06 -1.22 0.03 0.00 0.00 0.00 0.00 51.96 50.71 1qpq s ALA 2543Cb -0.15 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1qpq s ALA 2543CO 0.04 -0.09 -0.11 -1.12 0.00 0.00 0.00 175.76 174.48 1qpq s SER 2544N -2.60 1.27 -0.44 0.00 0.01 0.44 -1.05 113.70 111.32 1qpq s SER 2544Ca 0.07 -0.23 -0.22 0.00 1.31 0.00 0.00 55.95 56.88 1qpq s SER 2544Cb -0.01 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1qpq s SER 2544CO -0.01 0.11 0.70 -0.76 0.41 0.00 0.00 173.24 173.69 1qpq s LEU 2545N -0.39 4.40 -0.01 2.44 2.01 -0.23 0.32 118.68 127.23 1qpq s LEU 2545Ca 0.03 -0.25 0.08 0.00 0.01 0.00 0.00 54.13 54.00 1qpq s LEU 2545Cb -0.05 -2.83 -0.02 0.00 0.01 0.00 0.00 46.19 43.31 1qpq s LEU 2545CO -0.00 -0.84 -0.26 0.68 1.01 0.00 0.00 176.35 176.94 1qpq s VAL 2546N 3.02 2.12 0.36 -1.59 -7.23 0.61 -0.27 120.40 117.42 1qpq s VAL 2546Ca 0.26 -1.15 -0.24 0.00 -1.81 0.00 0.00 61.98 59.03 1qpq s VAL 2546Cb -0.13 -1.75 -0.10 0.00 0.56 0.00 0.00 36.38 34.96 1qpq s VAL 2546CO 0.21 0.54 0.97 0.42 -0.31 0.00 0.00 175.10 176.92 1qpq s THR 2547N -0.66 4.15 -1.27 5.32 -4.23 -0.89 -0.48 115.64 117.59 1qpq s THR 2547Ca 0.10 1.65 0.23 0.00 -1.18 0.00 0.00 61.69 62.49 1qpq s THR 2547Cb -0.10 -3.85 -0.09 0.00 1.34 0.00 0.00 72.50 69.80 1qpq s THR 2547CO -0.00 0.01 1.11 0.54 -0.54 0.00 0.00 174.62 175.73 1qpq n ARG 2548N 0.15 0.31 -4.03 3.99 3.00 0.17 -3.89 116.66 116.35 1qpq n ARG 2548Ca 0.04 -0.24 -0.10 0.00 -0.01 0.00 0.00 57.85 57.54 1qpq n ARG 2548Cb 0.51 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.41 1qpq n ARG 2548CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1qpq s GLU 2549N -2.86 1.42 0.39 5.56 -1.05 -1.22 -4.81 118.70 116.13 1qpq s GLU 2549Ca 0.12 -1.32 -0.17 0.00 -0.15 0.00 0.00 54.97 53.46 1qpq s GLU 2549Cb 0.17 0.42 -0.09 0.00 -0.44 0.00 0.00 34.13 34.19 1qpq s GLU 2549CO 0.75 -0.56 0.84 0.00 0.95 0.00 0.00 175.26 177.23 1qpq s ALA 2550N -4.04 3.20 0.00 -0.84 0.00 -1.26 -4.22 121.76 114.60 1qpq s ALA 2550Ca 0.25 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1qpq s ALA 2550Cb 0.01 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1qpq s ALA 2550CO 0.08 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.41 1qpq n GLY 2551N -0.71 -0.68 3.53 0.00 0.00 -0.44 -5.00 105.19 101.89 1qpq n GLY 2551Ca 0.05 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 1qpq n GLY 2551CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qpq s VAL 2552N -3.00 3.58 0.06 1.61 1.01 -1.26 -0.15 120.40 122.25 1qpq s VAL 2552Ca 0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.32 1qpq s VAL 2552Cb 0.00 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 1qpq s VAL 2552CO 0.00 0.57 0.48 0.54 0.00 0.00 0.00 175.10 176.68 1qpq s VAL 2553N -0.43 4.93 -0.09 2.92 0.11 -0.03 -4.23 120.40 123.59 1qpq s VAL 2553Ca 0.06 0.87 -0.17 0.00 -2.93 0.00 0.00 61.98 59.81 1qpq s VAL 2553Cb -0.12 -3.75 0.04 0.00 -1.53 0.00 0.00 36.38 31.02 1qpq s VAL 2553CO 0.02 0.46 0.42 0.00 -3.33 0.00 0.00 175.10 172.67 1qpq s ALA 2554N -1.22 -1.07 0.00 1.54 0.00 -1.26 0.93 121.76 120.69 1qpq s ALA 2554Ca 0.29 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1qpq s ALA 2554Cb -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1qpq s ALA 2554CO 0.17 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1qpq n GLY 2555N 2.01 0.58 0.20 0.00 0.00 -1.26 -3.88 105.19 102.84 1qpq n GLY 2555Ca -0.17 -0.81 0.05 0.00 0.00 0.00 0.00 46.02 45.09 1qpq n GLY 2555CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qpq h LEU 2556N 0.00 0.00 -1.08 0.99 4.07 -1.95 -2.21 115.31 115.13 1qpq h LEU 2556Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1qpq h LEU 2556Cb 0.59 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.31 1qpq h LEU 2556CO 0.00 0.32 0.03 0.44 -1.08 0.00 0.00 178.44 178.15 1qpq h ASP 2557N 0.00 0.64 0.35 -0.43 3.32 -1.98 -1.21 116.42 117.11 1qpq h ASP 2557Ca -0.00 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1qpq h ASP 2557Cb 0.63 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1qpq h ASP 2557CO 0.04 0.69 -0.07 0.58 -1.72 0.00 0.00 179.24 178.76 1qpq h VAL 2558N 0.65 0.40 -0.01 -1.35 2.07 -1.80 0.12 116.25 116.33 1qpq h VAL 2558Ca 0.14 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1qpq h VAL 2558Cb 0.36 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1qpq h VAL 2558CO 0.01 0.07 -0.01 0.00 0.02 0.00 0.00 177.57 177.66 1qpq h ALA 2559N 1.93 0.01 -0.59 1.67 0.00 -1.25 -2.12 119.26 118.92 1qpq h ALA 2559Ca -0.00 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1qpq h ALA 2559Cb 0.27 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1qpq h ALA 2559CO 0.01 -0.21 0.33 -0.07 0.00 0.00 0.00 179.25 179.31 1qpq h LEU 2560N -0.52 0.49 -1.99 0.00 -0.00 -0.79 -1.48 115.31 111.02 1qpq h LEU 2560Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1qpq h LEU 2560Cb 0.56 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1qpq h LEU 2560CO 0.00 0.33 0.01 -0.07 -0.00 0.00 0.00 178.44 178.71 1qpq h LEU 2561N 0.62 0.01 -0.28 1.67 3.38 -0.77 -1.24 115.31 118.70 1qpq h LEU 2561Ca 0.26 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.07 1qpq h LEU 2561Cb 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1qpq h LEU 2561CO -0.15 0.01 -0.44 0.74 0.09 0.00 0.00 178.44 178.69 1qpq h THR 2562N 0.01 1.29 -0.27 0.22 2.02 -0.57 -2.27 112.91 113.35 1qpq h THR 2562Ca 0.00 -1.63 -0.02 0.00 0.77 0.00 0.00 66.41 65.54 1qpq h THR 2562Cb -0.00 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1qpq h THR 2562CO -0.00 0.53 0.09 -0.07 0.37 0.00 0.00 175.52 176.43 1qpq h LEU 2563N 0.55 0.39 -0.74 2.58 4.07 -1.02 -2.13 115.31 119.00 1qpq h LEU 2563Ca 0.02 -0.20 0.16 0.00 0.08 0.00 0.00 57.88 57.94 1qpq h LEU 2563Cb 1.04 -0.10 -0.10 0.00 1.08 0.00 0.00 40.66 42.57 1qpq h LEU 2563CO 0.10 0.48 0.23 0.78 -1.08 0.00 0.00 178.44 178.95 1qpq h ASN 2564N 0.27 0.12 0.50 -0.43 2.35 -1.16 1.75 115.58 118.98 1qpq h ASN 2564Ca 0.09 0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.90 1qpq h ASN 2564Cb 0.23 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1qpq h ASN 2564CO -0.00 0.01 -0.35 -0.08 -1.65 0.00 0.00 177.43 175.36 1qpq h GLU 2565N 0.33 0.00 0.01 0.81 4.57 -1.12 0.10 114.58 119.28 1qpq h GLU 2565Ca 0.42 0.00 -0.41 0.00 -1.18 0.00 0.00 59.36 58.19 1qpq h GLU 2565Cb 0.70 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.22 1qpq h GLU 2565CO -0.47 0.35 -2.34 0.28 -1.18 0.00 0.00 179.01 175.64 1qpq n VAL 2566N -3.86 1.54 0.19 0.32 0.31 0.56 -4.68 118.33 112.71 1qpq n VAL 2566Ca -0.01 -0.44 0.09 0.00 -0.01 0.00 0.00 64.34 63.97 1qpq n VAL 2566Cb 0.42 -1.72 -0.14 0.00 -0.91 0.00 0.00 33.84 31.48 1qpq n VAL 2566CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1qpq n LEU 2567N -3.86 0.20 0.00 7.52 4.77 0.56 -5.03 117.00 121.16 1qpq n LEU 2567Ca -0.47 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1qpq n LEU 2567Cb 0.92 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1qpq n LEU 2567CO 0.16 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1qpq n GLY 2568N 1.42 -1.36 0.33 -0.72 0.00 0.36 -3.81 105.19 101.40 1qpq n GLY 2568Ca -0.02 -1.48 0.13 0.00 0.00 0.00 0.00 46.02 44.65 1qpq n GLY 2568CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qpq h THR 2569N 0.00 0.58 -0.72 2.61 2.02 -1.88 0.14 112.91 115.67 1qpq h THR 2569Ca 0.00 -0.19 -0.35 0.00 0.77 0.00 0.00 66.41 66.63 1qpq h THR 2569Cb 0.00 -0.02 -0.21 0.00 -1.74 0.00 0.00 68.15 66.18 1qpq h THR 2569CO 0.00 0.10 0.45 0.59 0.37 0.00 0.00 175.52 177.03 1qpq n ASN 2570N -4.92 3.64 -0.00 4.18 3.02 -1.26 -4.05 115.26 115.87 1qpq n ASN 2570Ca 0.23 -3.16 0.09 0.00 -0.03 0.00 0.00 54.58 51.71 1qpq n ASN 2570Cb 0.62 -0.74 -0.11 0.00 -0.61 0.00 0.00 39.78 38.93 1qpq n ASN 2570CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qpq n GLY 2571N -0.63 -0.79 3.47 7.41 0.00 0.49 -5.02 105.19 110.12 1qpq n GLY 2571Ca 0.43 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 1qpq n GLY 2571CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qpq s TYR 2572N -2.86 0.20 -0.05 1.61 1.13 -1.26 -4.04 117.35 112.10 1qpq s TYR 2572Ca 0.05 -0.56 0.01 0.00 -1.41 0.00 0.00 57.07 55.16 1qpq s TYR 2572Cb 0.14 0.17 0.02 0.00 -1.10 0.00 0.00 41.96 41.19 1qpq s TYR 2572CO 0.78 -0.87 -0.05 0.50 -2.51 0.00 0.00 175.55 173.40 1qpq s ARG 2573N -3.95 0.89 -0.31 -3.49 3.52 0.62 -4.98 118.95 111.25 1qpq s ARG 2573Ca 0.16 -0.13 -0.19 0.00 -0.13 0.00 0.00 55.73 55.44 1qpq s ARG 2573Cb 0.01 -0.87 -0.01 0.00 -1.56 0.00 0.00 34.95 32.51 1qpq s ARG 2573CO 0.02 -0.07 0.58 0.08 -0.81 0.00 0.00 175.30 175.10 1qpq s VAL 2574N 0.89 4.98 -0.01 7.11 1.01 -1.26 0.16 120.40 133.28 1qpq s VAL 2574Ca -0.11 0.75 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 1qpq s VAL 2574Cb -0.14 -3.96 -0.27 0.00 0.00 0.00 0.00 36.38 32.00 1qpq s VAL 2574CO 0.00 -0.12 0.78 -0.07 0.00 0.00 0.00 175.10 175.70 1qpq h LEU 2575N 9.08 0.37 -7.17 3.92 4.07 -0.79 -3.48 115.31 121.30 1qpq h LEU 2575Ca -0.27 -0.55 -0.06 0.00 0.08 0.00 0.00 57.88 57.07 1qpq h LEU 2575Cb 1.12 -0.12 -0.17 0.00 1.08 0.00 0.00 40.66 42.57 1qpq h LEU 2575CO 0.78 1.47 0.05 -0.62 -1.08 0.00 0.00 178.44 179.04 1qpq s ASP 2576N -6.92 -0.48 0.01 -0.43 2.15 -0.51 -4.96 116.67 105.53 1qpq s ASP 2576Ca -0.10 0.30 -0.28 0.00 0.43 0.00 0.00 52.55 52.89 1qpq s ASP 2576Cb 0.07 0.49 0.08 0.00 -0.30 0.00 0.00 42.92 43.26 1qpq s ASP 2576CO 0.84 -0.67 0.71 0.00 -0.17 0.00 0.00 175.17 175.88 1qpq s ARG 2577N -2.07 1.05 0.26 4.34 1.70 -1.26 0.45 118.95 123.42 1qpq s ARG 2577Ca -0.07 -0.05 0.05 0.00 -0.47 0.00 0.00 55.73 55.19 1qpq s ARG 2577Cb -0.01 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 1qpq s ARG 2577CO 0.01 -0.39 0.38 0.08 -1.08 0.00 0.00 175.30 174.31 1qpq s VAL 2578N -2.22 5.06 0.29 4.99 1.01 0.14 -4.95 120.40 124.71 1qpq s VAL 2578Ca -0.04 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.83 1qpq s VAL 2578Cb -0.00 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 1qpq s VAL 2578CO -0.00 -0.31 0.68 -1.61 0.00 0.00 0.00 175.10 173.85 1qpq s GLU 2579N -4.02 3.95 0.39 2.72 0.41 -1.26 -4.97 118.70 115.92 1qpq s GLU 2579Ca 0.36 0.56 -0.27 0.00 -0.41 0.00 0.00 54.97 55.21 1qpq s GLU 2579Cb -0.09 -2.52 -0.10 0.00 -1.78 0.00 0.00 34.13 29.64 1qpq s GLU 2579CO 0.30 0.22 1.39 -0.51 -0.49 0.00 0.00 175.26 176.17 1qpq s ASP 2580N -2.26 6.31 0.00 -0.19 1.11 -1.26 -2.38 116.67 118.00 1qpq s ASP 2580Ca 0.51 2.85 0.00 0.00 0.18 0.00 0.00 52.55 56.10 1qpq s ASP 2580Cb -0.11 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.23 1qpq s ASP 2580CO 0.19 -0.87 0.00 0.61 1.18 0.00 0.00 175.17 176.27 1qpq n GLY 2581N 0.60 0.58 3.75 0.21 0.00 0.26 -4.98 105.19 105.62 1qpq n GLY 2581Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1qpq n GLY 2581CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qpq s ALA 2582N -2.28 3.39 -0.16 4.61 0.00 -1.00 -4.71 121.76 121.62 1qpq s ALA 2582Ca 0.00 0.83 -0.24 0.00 0.00 0.00 0.00 51.96 52.55 1qpq s ALA 2582Cb 0.00 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1qpq s ALA 2582CO 0.00 -0.09 0.78 1.03 0.00 0.00 0.00 175.76 177.48 1qpq s ARG 2583N -1.28 4.30 0.02 0.00 1.81 -1.26 -0.85 118.95 121.70 1qpq s ARG 2583Ca 0.44 0.94 0.06 0.00 -1.72 0.00 0.00 55.73 55.45 1qpq s ARG 2583Cb -0.30 -3.56 -0.02 0.00 -0.45 0.00 0.00 34.95 30.62 1qpq s ARG 2583CO 0.39 -0.26 -0.17 0.08 -0.68 0.00 0.00 175.30 174.66 1qpq s VAL 2584N 1.91 1.37 0.69 3.52 1.01 0.78 -4.99 120.40 124.70 1qpq s VAL 2584Ca 0.37 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1qpq s VAL 2584Cb -0.17 -1.19 0.10 0.00 0.00 0.00 0.00 36.38 35.12 1qpq s VAL 2584CO 0.13 0.20 0.96 -2.16 0.00 0.00 0.00 175.10 174.23 1qpq s PRO 2585N -0.90 1.90 0.00 2.72 0.04 -1.26 -1.33 135.00 136.17 1qpq s PRO 2585Ca 0.05 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.20 1qpq s PRO 2585Cb -0.08 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1qpq s PRO 2585CO 0.01 -1.29 0.29 -2.30 0.04 0.00 0.00 177.00 173.75 1qpq n PRO 2586N -2.77 0.00 -0.40 0.56 -0.02 -1.26 -3.05 135.00 128.06 1qpq n PRO 2586Ca 0.12 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1qpq n PRO 2586Cb 0.60 -0.79 0.00 0.00 -0.02 0.00 0.00 33.50 33.29 1qpq n PRO 2586CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qpq n GLY 2587N -0.57 2.25 3.75 -1.23 0.00 -1.25 -3.67 105.19 104.47 1qpq n GLY 2587Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1qpq n GLY 2587CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qpq s GLU 2588N 0.17 4.84 -0.38 1.61 2.56 -1.17 -4.83 118.70 121.49 1qpq s GLU 2588Ca 0.00 1.52 -0.19 0.00 0.00 0.00 0.00 54.97 56.30 1qpq s GLU 2588Cb 0.00 -3.27 0.01 0.00 2.00 0.00 0.00 34.13 32.87 1qpq s GLU 2588CO 0.00 0.49 0.55 0.00 -0.56 0.00 0.00 175.26 175.74 1qpq s ALA 2589N -1.18 3.44 0.13 6.30 0.00 -1.26 -2.10 121.76 127.08 1qpq s ALA 2589Ca 0.41 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 1qpq s ALA 2589Cb -0.27 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 1qpq s ALA 2589CO 0.33 -1.41 1.33 -0.07 0.00 0.00 0.00 175.76 175.93 1qpq h LEU 2590N 9.27 0.73 -7.07 0.00 3.38 -1.02 -3.43 115.31 117.17 1qpq h LEU 2590Ca -0.27 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.16 1qpq h LEU 2590Cb 1.11 -0.22 -0.22 0.00 0.09 0.00 0.00 40.66 41.42 1qpq h LEU 2590CO 0.81 1.30 -0.02 -0.32 0.09 0.00 0.00 178.44 180.29 1qpq s MET 2591N -3.56 0.67 -0.12 1.13 0.00 -1.23 0.26 119.30 116.45 1qpq s MET 2591Ca -0.08 1.03 0.02 0.00 0.00 0.00 0.00 55.69 56.66 1qpq s MET 2591Cb 0.09 0.20 -0.00 0.00 0.00 0.00 0.00 34.83 35.12 1qpq s MET 2591CO 0.88 -0.13 -0.20 0.99 0.00 0.00 0.00 175.02 176.56 1qpq s THR 2592N 1.10 2.33 0.23 10.11 2.01 0.17 -1.06 115.64 130.53 1qpq s THR 2592Ca -0.06 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.03 1qpq s THR 2592Cb -0.05 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 1qpq s THR 2592CO -0.11 0.54 0.12 -1.48 -0.69 0.00 0.00 174.62 173.00 1qpq s LEU 2593N 0.52 1.40 -0.09 4.42 0.05 -0.21 -0.04 118.68 124.72 1qpq s LEU 2593Ca -0.13 -1.40 0.02 0.00 0.05 0.00 0.00 54.13 52.67 1qpq s LEU 2593Cb -0.17 0.21 0.02 0.00 -2.05 0.00 0.00 46.19 44.20 1qpq s LEU 2593CO 0.05 -0.79 -0.12 -0.70 -0.55 0.00 0.00 176.35 174.23 1qpq s GLU 2594N -4.08 1.82 0.26 1.48 2.12 0.12 -0.58 118.70 119.84 1qpq s GLU 2594Ca 0.38 -0.42 -0.21 0.00 0.36 0.00 0.00 54.97 55.08 1qpq s GLU 2594Cb 0.07 -1.59 0.03 0.00 0.26 0.00 0.00 34.13 32.90 1qpq s GLU 2594CO 0.13 -0.06 0.72 0.00 -0.54 0.00 0.00 175.26 175.50 1qpq s ALA 2595N 0.99 -1.29 0.21 6.30 0.00 -0.62 -0.28 121.76 127.07 1qpq s ALA 2595Ca -0.08 -0.18 -0.32 0.00 0.00 0.00 0.00 51.96 51.38 1qpq s ALA 2595Cb -0.15 0.84 -0.12 0.00 0.00 0.00 0.00 23.12 23.70 1qpq s ALA 2595CO -0.00 -1.00 1.69 -1.14 0.00 0.00 0.00 175.76 175.30 1qpq s GLN 2596N -3.86 4.13 0.20 0.00 0.74 -1.26 -1.60 119.66 118.01 1qpq s GLN 2596Ca 0.10 2.58 -0.11 0.00 0.05 0.00 0.00 55.36 57.98 1qpq s GLN 2596Cb -0.05 -3.08 0.22 0.00 1.10 0.00 0.00 33.01 31.20 1qpq s GLN 2596CO 0.04 -0.72 1.78 1.15 -0.55 0.00 0.00 175.29 176.99 1qpq h THR 2597N 3.78 0.91 -0.76 -0.34 2.02 -1.37 -2.56 112.91 114.60 1qpq h THR 2597Ca -0.43 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 66.57 1qpq h THR 2597Cb 1.20 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1qpq h THR 2597CO 0.93 0.10 0.50 0.03 0.37 0.00 0.00 175.52 177.46 1qpq h ARG 2598N 0.55 0.99 -0.60 6.66 3.08 -1.85 -1.56 114.38 121.65 1qpq h ARG 2598Ca 0.28 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.22 1qpq h ARG 2598Cb 0.22 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1qpq h ARG 2598CO -0.20 0.65 0.17 0.78 -1.07 0.00 0.00 179.97 180.30 1qpq h GLY 2599N 1.02 0.98 0.81 0.04 0.00 -1.87 -2.16 103.07 101.89 1qpq h GLY 2599Ca 0.29 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1qpq h GLY 2599CO -0.07 0.53 -0.00 1.41 0.00 0.00 0.00 176.54 178.41 1qpq h LEU 2600N 0.88 0.33 -1.63 3.11 3.38 -1.00 -1.64 115.31 118.75 1qpq h LEU 2600Ca 0.20 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1qpq h LEU 2600Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1qpq h LEU 2600CO -0.01 0.56 -0.17 -0.07 0.09 0.00 0.00 178.44 178.84 1qpq h LEU 2601N 0.10 0.02 0.23 1.67 4.07 -1.12 0.16 115.31 120.44 1qpq h LEU 2601Ca 0.05 -0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.70 1qpq h LEU 2601Cb 0.39 -0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.16 1qpq h LEU 2601CO 0.01 0.19 -1.38 0.74 -1.08 0.00 0.00 178.44 176.92 1qpq h THR 2602N 0.02 1.31 -0.00 0.22 2.02 -1.31 -3.34 112.91 111.83 1qpq h THR 2602Ca 0.00 -2.65 -0.14 0.00 0.77 0.00 0.00 66.41 64.39 1qpq h THR 2602Cb 0.31 3.04 -0.02 0.00 -1.74 0.00 0.00 68.15 69.74 1qpq h THR 2602CO 0.02 0.79 -0.66 0.00 0.37 0.00 0.00 175.52 176.04 1qpq h ALA 2603N 0.15 0.91 -0.19 6.16 0.00 -0.95 -3.40 119.26 121.94 1qpq h ALA 2603Ca -0.24 -0.60 0.02 0.00 0.00 0.00 0.00 54.91 54.09 1qpq h ALA 2603Cb 2.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 1qpq h ALA 2603CO 0.26 0.82 -0.11 -1.91 0.00 0.00 0.00 179.25 178.31 1qpq n GLU 2604N -3.75 -0.08 -0.26 0.00 2.13 0.54 -1.83 120.64 117.38 1qpq n GLU 2604Ca -0.01 0.78 -0.02 0.00 0.66 0.00 0.00 57.16 58.57 1qpq n GLU 2604Cb 0.65 -1.16 0.10 0.00 0.27 0.00 0.00 31.44 31.30 1qpq n GLU 2604CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1qpq h ARG 2605N 0.00 0.84 -0.75 5.31 9.65 -1.83 0.17 114.38 127.78 1qpq h ARG 2605Ca 0.03 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1qpq h ARG 2605Cb 0.08 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 1qpq h ARG 2605CO -0.18 0.56 0.39 1.15 2.80 0.00 0.00 179.97 184.68 1qpq h THR 2606N 0.87 1.23 0.06 0.20 2.02 -1.76 0.49 112.91 116.01 1qpq h THR 2606Ca 0.31 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1qpq h THR 2606Cb 0.07 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1qpq h THR 2606CO -0.13 0.27 -0.03 -0.03 0.37 0.00 0.00 175.52 175.97 1qpq h MET 2607N 1.05 -0.07 -0.79 6.66 1.85 -0.95 -2.68 114.93 119.99 1qpq h MET 2607Ca 0.26 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.35 1qpq h MET 2607Cb 0.07 0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.08 1qpq h MET 2607CO -0.04 0.29 0.45 -0.07 -0.40 0.00 0.00 176.91 177.14 1qpq h LEU 2608N -0.44 0.97 -1.08 3.39 4.07 -0.86 -2.00 115.31 119.36 1qpq h LEU 2608Ca -0.01 -0.08 -0.00 0.00 0.08 0.00 0.00 57.88 57.87 1qpq h LEU 2608Cb 0.39 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 1qpq h LEU 2608CO 0.01 0.77 0.53 0.78 -1.08 0.00 0.00 178.44 179.45 1qpq h ASN 2609N 1.09 1.02 0.01 -0.43 2.35 -0.90 -0.35 115.58 118.37 1qpq h ASN 2609Ca 0.28 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1qpq h ASN 2609Cb -0.00 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.11 1qpq h ASN 2609CO -0.05 0.77 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.43 1qpq h LEU 2610N 1.18 -0.01 -0.88 1.61 -0.00 -1.11 -2.68 115.31 113.42 1qpq h LEU 2610Ca 0.31 -0.67 -0.11 0.00 -0.00 0.00 0.00 57.88 57.41 1qpq h LEU 2610Cb -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.58 1qpq h LEU 2610CO -0.06 0.67 -0.45 -0.37 -0.00 0.00 0.00 178.44 178.23 1qpq h VAL 2611N -0.71 1.33 -0.45 1.22 -1.51 -1.41 -0.96 116.25 113.76 1qpq h VAL 2611Ca -0.00 -1.62 -0.09 0.00 -1.23 0.00 0.00 66.70 63.76 1qpq h VAL 2611Cb 0.68 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 1qpq h VAL 2611CO 0.00 0.48 -0.08 1.23 -1.23 0.00 0.00 177.57 177.97 1qpq h GLY 2612N 1.28 0.91 0.76 5.19 0.00 -1.16 0.14 103.07 110.20 1qpq h GLY 2612Ca 0.01 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 1qpq h GLY 2612CO 0.07 0.67 -0.04 0.84 0.00 0.00 0.00 176.54 178.08 1qpq h HIS 2613N 0.68 -0.11 -0.58 5.60 6.17 -1.26 0.12 115.15 125.77 1qpq h HIS 2613Ca 0.12 -0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.16 1qpq h HIS 2613Cb 0.61 0.04 -0.03 0.00 2.52 0.00 0.00 27.41 30.55 1qpq h HIS 2613CO 0.05 0.14 0.21 -0.07 0.71 0.00 0.00 177.93 178.97 1qpq h LEU 2614N -0.36 0.79 -0.56 0.26 3.38 -1.13 -1.46 115.31 116.23 1qpq h LEU 2614Ca -0.01 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 1qpq h LEU 2614Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1qpq h LEU 2614CO 0.02 0.72 -0.47 0.28 0.09 0.00 0.00 178.44 179.08 1qpq h SER 2615N 0.84 0.68 -0.47 -0.43 0.02 -0.66 -0.90 113.55 112.63 1qpq h SER 2615Ca 0.20 -0.33 0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1qpq h SER 2615Cb 0.20 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 1qpq h SER 2615CO -0.01 1.04 0.20 1.23 -1.14 0.00 0.00 176.83 178.15 1qpq h GLY 2616N 1.01 0.64 0.86 -3.77 0.00 -0.20 0.20 103.07 101.81 1qpq h GLY 2616Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1qpq h GLY 2616CO 0.09 0.06 0.06 -2.22 0.00 0.00 0.00 176.54 174.53 1qpq h ILE 2617N 0.40 1.20 -0.59 2.60 2.04 -0.98 -1.99 117.51 120.20 1qpq h ILE 2617Ca 0.21 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1qpq h ILE 2617Cb 0.17 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1qpq h ILE 2617CO -0.19 0.20 0.15 0.00 0.00 0.00 0.00 178.15 178.32 1qpq h ALA 2618N 0.87 1.16 0.17 1.87 0.00 -0.71 -0.61 119.26 122.02 1qpq h ALA 2618Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1qpq h ALA 2618Cb 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qpq h ALA 2618CO -0.00 0.57 -0.08 1.15 0.00 0.00 0.00 179.25 180.89 1qpq h THR 2619N 0.87 0.88 -0.23 0.00 2.02 -0.43 -1.19 112.91 114.84 1qpq h THR 2619Ca 0.19 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1qpq h THR 2619Cb 0.30 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1qpq h THR 2619CO -0.00 0.05 0.13 0.00 0.37 0.00 0.00 175.52 176.07 1qpq h ALA 2620N 0.47 0.29 0.00 6.16 0.00 -1.21 -2.41 119.26 122.56 1qpq h ALA 2620Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1qpq h ALA 2620Cb 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qpq h ALA 2620CO 0.04 -0.20 -0.05 1.79 0.00 0.00 0.00 179.25 180.83 1qpq h THR 2621N 0.27 0.84 0.00 0.00 1.35 -0.99 -0.12 112.91 114.26 1qpq h THR 2621Ca 0.08 -0.19 -0.09 0.00 -0.55 0.00 0.00 66.41 65.66 1qpq h THR 2621Cb 0.03 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 1qpq h THR 2621CO -0.01 0.05 -0.45 0.00 -0.25 0.00 0.00 175.52 174.86 1qpq h ALA 2622N 1.95 0.93 -0.17 6.62 0.00 -0.76 -0.78 119.26 127.05 1qpq h ALA 2622Ca -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1qpq h ALA 2622Cb 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qpq h ALA 2622CO 0.01 0.56 -0.09 0.00 0.00 0.00 0.00 179.25 179.73 1qpq h ALA 2623N 1.55 0.24 -0.62 0.00 0.00 -0.56 0.37 119.26 120.25 1qpq h ALA 2623Ca -0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1qpq h ALA 2623Cb 1.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1qpq h ALA 2623CO 0.06 0.06 0.18 -1.49 0.00 0.00 0.00 179.25 178.05 1qpq h TRP 2624N 0.04 0.98 -0.49 0.00 4.06 -1.29 0.11 115.95 119.35 1qpq h TRP 2624Ca 0.04 -0.09 -0.06 0.00 2.06 0.00 0.00 58.89 60.83 1qpq h TRP 2624Cb 0.57 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.42 1qpq h TRP 2624CO 0.07 0.80 0.05 0.28 -3.56 0.00 0.00 178.44 176.07 1qpq h VAL 2625N 0.92 1.23 -0.27 1.49 2.07 -0.88 -2.34 116.25 118.47 1qpq h VAL 2625Ca 0.20 -0.91 -0.15 0.00 0.82 0.00 0.00 66.70 66.67 1qpq h VAL 2625Cb 0.29 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1qpq h VAL 2625CO -0.01 0.33 -0.43 0.44 0.02 0.00 0.00 177.57 177.92 1qpq h ASP 2626N 0.74 0.72 -0.61 0.57 3.32 -0.00 -3.03 116.42 118.13 1qpq h ASP 2626Ca 0.15 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 56.88 1qpq h ASP 2626Cb 0.38 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1qpq h ASP 2626CO 0.01 1.05 0.41 0.00 -1.72 0.00 0.00 179.24 178.99 1qpq h ALA 2627N 0.98 1.58 -0.51 3.45 0.00 -0.49 -2.77 119.26 121.51 1qpq h ALA 2627Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qpq h ALA 2627Cb 0.97 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1qpq h ALA 2627CO 0.09 0.38 0.00 1.33 0.00 0.00 0.00 179.25 181.05 1qpq n VAL 2628N -4.45 2.59 -1.95 0.00 0.24 -1.01 -4.31 118.33 109.44 1qpq n VAL 2628Ca 0.06 -1.50 -0.39 0.00 -2.04 0.00 0.00 64.34 60.47 1qpq n VAL 2628Cb 0.06 -0.24 0.01 0.00 -1.47 0.00 0.00 33.84 32.19 1qpq n VAL 2628CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1qpq s ARG 2629N -2.71 3.82 0.00 7.34 3.52 -1.05 -2.68 118.95 127.20 1qpq s ARG 2629Ca 0.52 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 58.37 1qpq s ARG 2629Cb 0.39 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 31.10 1qpq s ARG 2629CO 0.15 -0.65 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 1qpq n GLY 2630N 0.63 0.46 3.31 8.12 0.00 -1.26 -5.02 105.19 111.43 1qpq n GLY 2630Ca 0.05 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 1qpq n GLY 2630CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qpq s THR 2631N -2.00 0.79 -0.94 2.61 2.01 -1.09 -5.06 115.64 111.96 1qpq s THR 2631Ca 0.00 -2.01 0.23 0.00 0.31 0.00 0.00 61.69 60.23 1qpq s THR 2631Cb 0.00 -2.41 -0.08 0.00 0.01 0.00 0.00 72.50 70.01 1qpq s THR 2631CO 0.00 -0.23 1.20 2.29 -0.69 0.00 0.00 174.62 177.19 1qpq n LYS 2632N -0.41 0.05 -1.73 4.92 2.85 -1.26 -4.98 118.16 117.60 1qpq n LYS 2632Ca -0.04 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.84 1qpq n LYS 2632Cb 0.65 -1.52 0.05 0.00 -0.65 0.00 0.00 35.03 33.56 1qpq n LYS 2632CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qpq n ALA 2633N -1.55 1.44 -2.37 0.58 0.00 -1.26 -4.92 120.51 112.44 1qpq n ALA 2633Ca 0.04 0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.30 1qpq n ALA 2633Cb 0.35 -2.34 -0.14 0.00 0.00 0.00 0.00 19.45 17.32 1qpq n ALA 2633CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qpq s LYS 2634N -2.90 1.71 -0.11 0.00 3.01 -0.59 -4.96 119.74 115.90 1qpq s LYS 2634Ca 0.73 -1.11 -0.19 0.00 -1.01 0.00 0.00 55.97 54.39 1qpq s LYS 2634Cb -0.42 -1.91 -0.04 0.00 -1.01 0.00 0.00 37.83 34.46 1qpq s LYS 2634CO 0.48 0.49 0.50 0.42 0.51 0.00 0.00 175.35 177.75 1qpq s ILE 2635N -0.83 5.16 0.17 2.17 -1.09 -1.26 -0.93 121.20 124.59 1qpq s ILE 2635Ca 0.11 1.01 0.07 0.00 -2.23 0.00 0.00 60.65 59.61 1qpq s ILE 2635Cb -0.10 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 1qpq s ILE 2635CO 0.02 0.33 -0.14 -0.13 -1.23 0.00 0.00 174.94 173.79 1qpq s ARG 2636N 0.56 1.20 0.27 2.79 0.52 0.73 -0.24 118.95 124.78 1qpq s ARG 2636Ca 0.27 -1.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.05 1qpq s ARG 2636Cb -0.15 -1.01 0.05 0.00 0.52 0.00 0.00 34.95 34.36 1qpq s ARG 2636CO 0.11 0.17 0.37 -0.40 0.02 0.00 0.00 175.30 175.58 1qpq n ASP 2637N -0.03 0.77 -1.56 0.23 5.68 -1.22 0.01 116.55 120.43 1qpq n ASP 2637Ca -0.11 -1.59 -0.02 0.00 -0.50 0.00 0.00 54.79 52.57 1qpq n ASP 2637Cb 0.59 -0.22 -0.01 0.00 -1.14 0.00 0.00 41.12 40.35 1qpq n ASP 2637CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1qpq n THR 2638N -1.72 0.00 0.06 2.12 -2.24 -1.26 -4.39 114.28 106.85 1qpq n THR 2638Ca 0.07 -0.23 0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1qpq n THR 2638Cb 0.25 0.09 0.26 0.00 -2.10 0.00 0.00 70.33 68.84 1qpq n THR 2638CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qpq n ARG 2639N -0.08 2.71 -2.58 -0.78 1.74 -1.26 -4.62 116.66 111.79 1qpq n ARG 2639Ca -0.00 -2.10 -0.43 0.00 -0.77 0.00 0.00 57.85 54.55 1qpq n ARG 2639Cb 0.06 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 1qpq n ARG 2639CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1qpq n LYS 2640N 0.97 3.40 -4.65 5.56 5.02 -1.26 -4.91 118.16 122.29 1qpq n LYS 2640Ca 0.19 -3.56 -0.29 0.00 -2.02 0.00 0.00 58.31 52.63 1qpq n LYS 2640Cb 0.60 -3.07 -0.10 0.00 -0.02 0.00 0.00 35.03 32.44 1qpq n LYS 2640CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qpq s THR 2641N 1.55 1.61 -0.04 -0.18 -4.23 -1.26 -3.42 115.64 109.66 1qpq s THR 2641Ca 0.43 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.79 1qpq s THR 2641Cb 0.04 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 1qpq s THR 2641CO 0.00 0.00 0.41 -0.76 -0.54 0.00 0.00 174.62 173.73 1qpq s LEU 2642N -3.74 4.40 -0.22 4.79 2.01 -1.26 -4.97 118.68 119.70 1qpq s LEU 2642Ca 0.25 0.88 -0.36 0.00 0.01 0.00 0.00 54.13 54.91 1qpq s LEU 2642Cb 0.07 -2.58 -0.13 0.00 0.01 0.00 0.00 46.19 43.56 1qpq s LEU 2642CO 0.13 0.23 1.91 -0.81 1.01 0.00 0.00 176.35 178.81 1qpq n PRO 2643N 2.43 1.58 0.00 1.29 -0.04 -1.26 -0.29 135.00 138.72 1qpq n PRO 2643Ca -0.12 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1qpq n PRO 2643Cb 0.52 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1qpq n PRO 2643CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qpq n GLY 2644N 4.81 2.88 0.40 0.55 0.00 -1.26 -4.89 105.19 107.68 1qpq n GLY 2644Ca 0.28 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.34 1qpq n GLY 2644CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qpq n LEU 2645N 0.00 2.50 -0.14 0.99 4.77 0.60 -4.77 117.00 120.96 1qpq n LEU 2645Ca 0.00 -1.89 -0.04 0.00 -0.03 0.00 0.00 56.01 54.05 1qpq n LEU 2645Cb 0.00 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1qpq n LEU 2645CO 0.00 0.62 0.82 -0.09 -1.33 0.00 0.00 177.39 177.41 1qpq h ARG 2646N 1.33 0.06 -0.37 3.23 2.43 -1.89 0.22 114.38 119.39 1qpq h ARG 2646Ca 0.00 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1qpq h ARG 2646Cb 0.61 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1qpq h ARG 2646CO 0.00 0.04 0.07 0.00 -1.51 0.00 0.00 179.97 178.57 1qpq h ALA 2647N 1.41 1.43 -0.08 2.80 0.00 -1.93 0.48 119.26 123.37 1qpq h ALA 2647Ca 0.22 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1qpq h ALA 2647Cb 0.33 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1qpq h ALA 2647CO -0.40 0.41 -0.61 -0.07 0.00 0.00 0.00 179.25 178.58 1qpq h LEU 2648N 0.54 0.67 -0.85 0.00 3.38 -1.71 -2.13 115.31 115.21 1qpq h LEU 2648Ca 0.12 -0.68 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 1qpq h LEU 2648Cb 0.24 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1qpq h LEU 2648CO -0.00 1.24 0.42 1.56 0.09 0.00 0.00 178.44 181.75 1qpq h GLN 2649N 0.15 1.22 -0.53 1.13 4.20 -0.68 -0.28 115.11 120.32 1qpq h GLN 2649Ca -0.05 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.36 1qpq h GLN 2649Cb 1.27 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 1qpq h GLN 2649CO 0.12 0.93 -0.14 0.87 -0.67 0.00 0.00 178.83 179.94 1qpq h LYS 2650N 1.20 1.03 -0.36 1.46 6.56 -0.97 -2.14 116.57 123.35 1qpq h LYS 2650Ca 0.29 -0.40 -0.01 0.00 -1.06 0.00 0.00 60.65 59.47 1qpq h LYS 2650Cb 0.11 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.69 1qpq h LYS 2650CO -0.04 1.09 0.18 -0.92 -2.06 0.00 0.00 179.45 177.70 1qpq h TYR 2651N 0.91 0.51 -0.46 -1.35 3.20 -0.67 -2.67 116.97 116.43 1qpq h TYR 2651Ca 0.13 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1qpq h TYR 2651Cb 0.71 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1qpq h TYR 2651CO 0.05 0.42 0.14 0.00 -1.64 0.00 0.00 178.16 177.12 1qpq h ALA 2652N 1.04 1.37 -0.18 1.82 0.00 -0.78 -0.79 119.26 121.75 1qpq h ALA 2652Ca 0.12 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1qpq h ALA 2652Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1qpq h ALA 2652CO -0.02 0.46 -0.46 -0.39 0.00 0.00 0.00 179.25 178.84 1qpq h VAL 2653N 0.67 1.32 -0.38 0.00 -1.51 -1.17 -1.90 116.25 113.27 1qpq h VAL 2653Ca 0.16 -1.65 -0.04 0.00 -1.23 0.00 0.00 66.70 63.94 1qpq h VAL 2653Cb 0.21 1.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 1qpq h VAL 2653CO -0.01 0.51 0.09 -0.09 -1.23 0.00 0.00 177.57 176.84 1qpq h ARG 2654N 0.37 0.61 -0.05 5.19 2.43 -1.11 0.15 114.38 121.97 1qpq h ARG 2654Ca 0.02 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1qpq h ARG 2654Cb 0.94 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1qpq h ARG 2654CO 0.08 0.64 0.04 1.15 -1.51 0.00 0.00 179.97 180.38 1qpq h THR 2655N 0.47 0.92 0.00 0.20 2.02 -0.84 -1.47 112.91 114.22 1qpq h THR 2655Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1qpq h THR 2655Cb 0.31 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1qpq h THR 2655CO 0.00 0.00 -0.21 0.61 0.37 0.00 0.00 175.52 176.29 1qpq n GLY 2656N -1.53 -1.40 0.00 2.16 0.00 -0.74 -4.60 105.19 99.07 1qpq n GLY 2656Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1qpq n GLY 2656CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 2657N 1.50 0.97 2.96 -0.02 0.00 -0.55 -3.57 105.19 106.47 1qpq n GLY 2657Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1qpq n GLY 2657CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 2658N -0.59 0.03 2.99 -0.02 0.00 -0.03 -4.75 105.19 102.82 1qpq n GLY 2658Ca 0.00 -1.92 -0.22 0.00 0.00 0.00 0.00 46.02 43.89 1qpq n GLY 2658CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qpq s VAL 2659N -2.58 0.86 0.42 1.61 -7.23 0.67 -4.34 120.40 109.80 1qpq s VAL 2659Ca 0.53 -0.36 -0.26 0.00 -1.81 0.00 0.00 61.98 60.08 1qpq s VAL 2659Cb -0.02 -0.79 -0.08 0.00 0.56 0.00 0.00 36.38 36.04 1qpq s VAL 2659CO 0.36 0.28 1.29 0.20 -0.31 0.00 0.00 175.10 176.92 1qpq s ASN 2660N 0.44 6.25 0.06 4.85 0.01 -1.26 -3.40 114.94 121.90 1qpq s ASN 2660Ca -0.08 2.63 0.00 0.00 -0.71 0.00 0.00 52.86 54.70 1qpq s ASN 2660Cb -0.12 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.91 1qpq s ASN 2660CO 0.01 -0.89 0.00 1.57 -1.51 0.00 0.00 177.10 176.29 1qpq n HIS 2661N 0.03 -0.84 -1.95 2.20 -0.00 -1.26 -4.88 115.22 108.52 1qpq n HIS 2661Ca 0.04 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.86 1qpq n HIS 2661Cb 0.44 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.35 1qpq n HIS 2661CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1qpq s ARG 2662N 1.12 2.87 0.10 1.57 1.70 -1.26 -4.92 118.95 120.13 1qpq s ARG 2662Ca 0.00 1.88 0.25 0.00 -0.47 0.00 0.00 55.73 57.39 1qpq s ARG 2662Cb 0.00 -1.91 0.47 0.00 -0.57 0.00 0.00 34.95 32.94 1qpq s ARG 2662CO 0.00 -1.30 1.42 1.28 -1.08 0.00 0.00 175.30 175.62 1qpq n LEU 2663N -1.67 0.64 0.00 -1.89 4.77 -1.26 -4.78 117.00 112.81 1qpq n LEU 2663Ca 0.14 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1qpq n LEU 2663Cb 0.49 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1qpq n LEU 2663CO 0.45 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1qpq n GLY 2664N 1.37 1.20 0.20 -0.72 0.00 -1.26 -5.04 105.19 100.94 1qpq n GLY 2664Ca 0.04 -0.89 -0.04 0.00 0.00 0.00 0.00 46.02 45.13 1qpq n GLY 2664CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qpq h LEU 2665N 0.00 0.34 -0.39 0.99 4.07 -1.95 -3.25 115.31 115.12 1qpq h LEU 2665Ca 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.80 1qpq h LEU 2665Cb 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1qpq h LEU 2665CO 0.00 0.75 -0.68 0.61 -1.08 0.00 0.00 178.44 178.04 1qpq n GLY 2666N -0.04 -0.65 0.23 0.83 0.00 -1.26 -4.35 105.19 99.95 1qpq n GLY 2666Ca -0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 1qpq n GLY 2666CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1qpq h ASP 2667N 0.94 0.25 -4.71 1.61 1.82 -1.96 -3.46 116.42 110.91 1qpq h ASP 2667Ca 0.00 0.07 0.11 0.00 -0.39 0.00 0.00 57.03 56.82 1qpq h ASP 2667Cb 0.59 0.04 -0.15 0.00 0.68 0.00 0.00 39.33 40.49 1qpq h ASP 2667CO 0.00 0.16 0.48 0.00 -1.61 0.00 0.00 179.24 178.27 1qpq s ALA 2668N -6.10 -1.80 0.18 -0.78 0.00 -1.26 -4.77 121.76 107.23 1qpq s ALA 2668Ca -0.13 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 1qpq s ALA 2668Cb 0.16 0.45 -0.07 0.00 0.00 0.00 0.00 23.12 23.67 1qpq s ALA 2668CO 0.74 -0.72 0.53 0.00 0.00 0.00 0.00 175.76 176.32 1qpq s ALA 2669N -3.16 3.59 -0.25 0.00 0.00 0.14 -4.83 121.76 117.24 1qpq s ALA 2669Ca 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1qpq s ALA 2669Cb -0.01 -2.45 0.12 0.00 0.00 0.00 0.00 23.12 20.78 1qpq s ALA 2669CO -0.08 0.49 0.30 -1.17 0.00 0.00 0.00 175.76 175.30 1qpq s LEU 2670N -2.39 -0.34 -0.44 0.00 0.20 -1.25 -1.89 118.68 112.57 1qpq s LEU 2670Ca 0.42 -0.30 -0.27 0.00 0.69 0.00 0.00 54.13 54.67 1qpq s LEU 2670Cb -0.13 0.67 0.02 0.00 -0.43 0.00 0.00 46.19 46.32 1qpq s LEU 2670CO 0.20 -0.34 1.01 -0.63 -0.29 0.00 0.00 176.35 176.30 1qpq s ILE 2671N 2.41 4.40 0.55 6.68 1.01 0.12 -4.94 121.20 131.43 1qpq s ILE 2671Ca 0.09 1.10 0.07 0.00 0.00 0.00 0.00 60.65 61.91 1qpq s ILE 2671Cb -0.15 -4.47 0.07 0.00 0.01 0.00 0.00 42.46 37.91 1qpq s ILE 2671CO -0.22 -0.81 0.75 -0.54 0.00 0.00 0.00 174.94 174.13 1qpq s LYS 2672N 3.94 2.40 0.27 2.79 1.02 -1.26 0.68 119.74 129.58 1qpq s LYS 2672Ca 0.42 -1.39 -0.02 0.00 0.02 0.00 0.00 55.97 55.00 1qpq s LYS 2672Cb -0.10 -2.63 0.43 0.00 -0.52 0.00 0.00 37.83 35.01 1qpq s LYS 2672CO 0.26 -0.75 1.90 0.38 -0.92 0.00 0.00 175.35 176.21 1qpq h ASP 2673N 0.22 1.02 0.81 2.83 2.03 -1.95 -1.86 116.42 119.51 1qpq h ASP 2673Ca -0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 1qpq h ASP 2673Cb 1.28 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 1qpq h ASP 2673CO 0.43 0.66 0.00 0.78 -1.03 0.00 0.00 179.24 180.08 1qpq h ASN 2674N 1.16 0.00 0.25 4.15 2.35 -1.99 -2.92 115.58 118.58 1qpq h ASN 2674Ca 0.42 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.82 1qpq h ASN 2674Cb 0.15 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.53 1qpq h ASN 2674CO -0.16 0.00 -1.68 0.45 -1.65 0.00 0.00 177.43 174.39 1qpq h HIS 2675N 0.00 0.71 -0.78 1.19 3.86 -1.73 -3.29 115.15 115.10 1qpq h HIS 2675Ca 0.00 -0.52 0.04 0.00 -1.16 0.00 0.00 60.37 58.73 1qpq h HIS 2675Cb 0.40 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.79 1qpq h HIS 2675CO 0.00 1.61 0.49 0.28 0.86 0.00 0.00 177.93 181.17 1qpq h VAL 2676N 0.11 1.09 0.39 2.45 2.07 -1.35 -0.18 116.25 120.82 1qpq h VAL 2676Ca -0.32 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1qpq h VAL 2676Cb 2.10 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1qpq h VAL 2676CO 0.19 0.17 -0.28 0.00 0.02 0.00 0.00 177.57 177.67 1qpq h ALA 2677N 1.34 -0.66 -0.75 1.67 0.00 -1.65 0.41 119.26 119.62 1qpq h ALA 2677Ca 0.32 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1qpq h ALA 2677Cb 0.06 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1qpq h ALA 2677CO -0.13 -0.89 0.48 0.00 0.00 0.00 0.00 179.25 178.71 1qpq h ALA 2678N -0.13 0.96 0.00 0.00 0.00 -1.58 -0.87 119.26 117.64 1qpq h ALA 2678Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1qpq h ALA 2678Cb 0.57 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1qpq h ALA 2678CO 0.01 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1qpq n ALA 2679N -2.31 2.10 0.00 0.00 0.00 -0.10 -4.90 120.51 115.30 1qpq n ALA 2679Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qpq n ALA 2679Cb 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1qpq n ALA 2679CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qpq n GLY 2680N 0.97 2.17 3.25 0.00 0.00 0.14 -4.52 105.19 107.20 1qpq n GLY 2680Ca 0.06 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1qpq n GLY 2680CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qpq s SER 2681N 0.09 -0.08 0.12 1.61 0.15 -1.07 -4.84 113.70 109.68 1qpq s SER 2681Ca 0.00 -0.31 -0.14 0.00 0.70 0.00 0.00 55.95 56.20 1qpq s SER 2681Cb 0.00 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 1qpq s SER 2681CO 0.00 -0.66 1.53 0.58 1.20 0.00 0.00 173.24 175.89 1qpq h VAL 2682N 3.04 1.27 -0.12 4.45 2.07 -1.91 0.21 116.25 125.27 1qpq h VAL 2682Ca -0.32 -1.17 -0.15 0.00 0.82 0.00 0.00 66.70 65.88 1qpq h VAL 2682Cb 1.21 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1qpq h VAL 2682CO 0.48 0.39 -0.56 0.58 0.02 0.00 0.00 177.57 178.48 1qpq h VAL 2683N 0.56 1.35 0.77 2.57 2.07 -1.96 -1.47 116.25 120.14 1qpq h VAL 2683Ca 0.10 -1.86 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 1qpq h VAL 2683Cb 0.61 1.88 0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1qpq h VAL 2683CO 0.04 0.56 -0.37 0.44 0.02 0.00 0.00 177.57 178.26 1qpq h ASP 2684N 0.27 -0.88 -0.62 0.57 3.32 -1.80 -0.41 116.42 116.87 1qpq h ASP 2684Ca 0.00 0.03 0.13 0.00 0.02 0.00 0.00 57.03 57.21 1qpq h ASP 2684Cb 1.07 0.23 -0.12 0.00 0.22 0.00 0.00 39.33 40.73 1qpq h ASP 2684CO 0.09 -0.58 -0.13 0.00 -1.72 0.00 0.00 179.24 176.91 1qpq h ALA 2685N -1.42 0.45 -0.04 3.45 0.00 -1.00 0.24 119.26 120.94 1qpq h ALA 2685Ca -0.11 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1qpq h ALA 2685Cb 0.80 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1qpq h ALA 2685CO 0.17 -0.42 -0.19 1.25 0.00 0.00 0.00 179.25 180.06 1qpq h LEU 2686N 0.02 -0.56 -0.14 0.00 6.46 -1.22 -0.37 115.31 119.50 1qpq h LEU 2686Ca 0.30 0.09 0.04 0.00 -0.12 0.00 0.00 57.88 58.19 1qpq h LEU 2686Cb 0.47 0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 1qpq h LEU 2686CO -0.62 -0.25 -0.13 0.03 -0.62 0.00 0.00 178.44 176.85 1qpq h ARG 2687N -0.28 -0.15 -0.64 1.25 2.47 0.53 0.09 114.38 117.65 1qpq h ARG 2687Ca 0.07 0.01 0.14 0.00 -1.26 0.00 0.00 59.98 58.93 1qpq h ARG 2687Cb 0.38 0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 28.62 1qpq h ARG 2687CO -0.20 -0.10 -0.05 0.00 0.56 0.00 0.00 179.97 180.18 1qpq h ALA 2688N 0.93 0.57 -0.19 0.04 0.00 0.12 0.25 119.26 121.00 1qpq h ALA 2688Ca 0.09 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1qpq h ALA 2688Cb 0.29 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1qpq h ALA 2688CO -0.23 -0.41 -0.40 0.28 0.00 0.00 0.00 179.25 178.49 1qpq h VAL 2689N 0.07 1.30 -0.83 0.00 2.07 -0.59 -0.95 116.25 117.33 1qpq h VAL 2689Ca 0.33 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1qpq h VAL 2689Cb 0.54 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1qpq h VAL 2689CO -0.59 0.48 0.42 0.03 0.02 0.00 0.00 177.57 177.92 1qpq h ARG 2690N 0.36 1.17 -0.13 1.57 2.47 0.14 0.97 114.38 120.92 1qpq h ARG 2690Ca 0.03 -0.16 -0.22 0.00 -1.26 0.00 0.00 59.98 58.38 1qpq h ARG 2690Cb 0.86 -0.22 0.01 0.00 -1.65 0.00 0.00 29.97 28.97 1qpq h ARG 2690CO 0.07 0.88 -0.79 -0.91 0.56 0.00 0.00 179.97 179.78 1qpq h ASN 2691N 1.17 0.89 0.24 7.04 2.35 -0.67 -2.85 115.58 123.75 1qpq h ASN 2691Ca 0.29 -0.59 -0.26 0.00 -0.55 0.00 0.00 56.30 55.18 1qpq h ASN 2691Cb 0.08 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.20 1qpq h ASN 2691CO -0.04 1.39 -1.08 0.00 -1.65 0.00 0.00 177.43 176.04 1qpq h ALA 2692N 0.59 0.18 -1.73 -0.83 0.00 -0.94 -3.40 119.26 113.13 1qpq h ALA 2692Ca -0.06 -0.74 -0.49 0.00 0.00 0.00 0.00 54.91 53.62 1qpq h ALA 2692Cb 1.42 0.04 -0.36 0.00 0.00 0.00 0.00 17.79 18.89 1qpq h ALA 2692CO 0.16 0.77 -1.05 0.00 0.00 0.00 0.00 179.25 179.13 1qpq n ALA 2693N -2.60 1.83 0.19 0.00 0.00 0.31 -4.96 120.51 115.28 1qpq n ALA 2693Ca -0.10 -3.13 0.05 0.00 0.00 0.00 0.00 53.44 50.26 1qpq n ALA 2693Cb 0.91 -0.90 0.25 0.00 0.00 0.00 0.00 19.45 19.70 1qpq n ALA 2693CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qpq n PRO 2694N 1.11 0.05 0.02 0.00 -0.04 -1.07 -1.91 135.00 133.15 1qpq n PRO 2694Ca 0.20 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 64.24 1qpq n PRO 2694Cb 0.58 -1.64 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 1qpq n PRO 2694CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1qpq n ASP 2695N -1.74 0.44 -4.85 3.54 5.75 -1.26 -4.98 116.55 113.44 1qpq n ASP 2695Ca 0.01 -0.15 -0.33 0.00 -0.01 0.00 0.00 54.79 54.30 1qpq n ASP 2695Cb 0.07 1.29 -0.06 0.00 -1.03 0.00 0.00 41.12 41.39 1qpq n ASP 2695CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1qpq s LEU 2696N -4.25 4.21 0.45 -2.12 2.96 -0.81 -5.05 118.68 114.07 1qpq s LEU 2696Ca -0.01 1.09 -0.24 0.00 -0.22 0.00 0.00 54.13 54.75 1qpq s LEU 2696Cb 0.14 -3.65 -0.07 0.00 0.50 0.00 0.00 46.19 43.10 1qpq s LEU 2696CO 0.86 -0.05 1.27 -2.84 -1.32 0.00 0.00 176.35 174.27 1qpq s PRO 2697N -2.54 3.72 -0.03 0.98 0.02 -1.26 -4.81 135.00 131.07 1qpq s PRO 2697Ca 0.46 2.04 0.04 0.00 0.02 0.00 0.00 61.00 63.56 1qpq s PRO 2697Cb -0.12 -2.53 -0.00 0.00 0.02 0.00 0.00 34.50 31.86 1qpq s PRO 2697CO 0.20 -0.66 -0.14 0.00 -0.33 0.00 0.00 177.00 176.07 1qpq s GLU 2699N 0.07 1.01 -0.09 0.00 8.01 -0.79 -2.77 118.70 124.15 1qpq s GLU 2699Ca -0.03 -0.31 0.04 0.00 0.01 0.00 0.00 54.97 54.68 1qpq s GLU 2699Cb -0.10 -0.94 -0.01 0.00 -4.31 0.00 0.00 34.13 28.77 1qpq s GLU 2699CO 0.01 0.11 -0.22 0.54 0.01 0.00 0.00 175.26 175.71 1qpq s VAL 2700N 0.23 2.32 -0.19 2.63 0.11 -0.83 0.12 120.40 124.80 1qpq s VAL 2700Ca -0.04 -0.95 -0.16 0.00 -2.93 0.00 0.00 61.98 57.90 1qpq s VAL 2700Cb -0.09 -1.89 -0.04 0.00 -1.53 0.00 0.00 36.38 32.83 1qpq s VAL 2700CO 0.01 0.56 0.41 -0.70 -3.33 0.00 0.00 175.10 172.05 1qpq s GLU 2701N 0.08 4.20 0.02 1.54 2.12 0.21 -1.08 118.70 125.80 1qpq s GLU 2701Ca -0.10 0.25 0.08 0.00 0.36 0.00 0.00 54.97 55.56 1qpq s GLU 2701Cb -0.16 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 1qpq s GLU 2701CO 0.06 -0.01 -0.25 0.14 -0.54 0.00 0.00 175.26 174.67 1qpq s VAL 2702N 1.20 2.24 -0.18 3.70 -7.23 -0.71 -4.68 120.40 114.73 1qpq s VAL 2702Ca 0.20 -1.25 0.15 0.00 -1.81 0.00 0.00 61.98 59.28 1qpq s VAL 2702Cb -0.15 -1.85 0.31 0.00 0.56 0.00 0.00 36.38 35.25 1qpq s VAL 2702CO 0.08 0.44 1.21 -0.90 -0.31 0.00 0.00 175.10 175.62 1qpq n ASP 2703N 1.98 2.74 -3.51 4.85 5.68 -1.26 -1.44 116.55 125.60 1qpq n ASP 2703Ca -0.17 -2.83 -0.11 0.00 -0.50 0.00 0.00 54.79 51.18 1qpq n ASP 2703Cb 0.52 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 40.09 1qpq n ASP 2703CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1qpq s SER 2704N -2.22 -0.45 0.32 -1.12 1.04 -1.26 -4.96 113.70 105.05 1qpq s SER 2704Ca 0.29 -0.13 0.15 0.00 0.48 0.00 0.00 55.95 56.75 1qpq s SER 2704Cb 0.24 0.57 0.49 0.00 0.10 0.00 0.00 66.02 67.41 1qpq s SER 2704CO 0.05 -0.95 1.65 -0.07 0.98 0.00 0.00 173.24 174.90 1qpq h LEU 2705N 2.11 0.00 0.50 2.42 3.38 -1.97 -1.92 115.31 119.84 1qpq h LEU 2705Ca -0.33 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1qpq h LEU 2705Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1qpq h LEU 2705CO 0.40 0.50 -0.24 -0.33 0.09 0.00 0.00 178.44 178.86 1qpq h GLU 2706N 0.00 -0.65 -0.77 1.13 3.07 -1.99 -0.00 114.58 115.37 1qpq h GLU 2706Ca -0.00 0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.96 1qpq h GLU 2706Cb 1.04 0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 29.05 1qpq h GLU 2706CO 0.06 -0.41 0.50 1.96 -1.40 0.00 0.00 179.01 179.72 1qpq h GLN 2707N -0.70 0.80 -0.58 2.33 4.20 -1.94 0.13 115.11 119.35 1qpq h GLN 2707Ca -0.07 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1qpq h GLN 2707Cb 0.53 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1qpq h GLN 2707CO 0.11 0.53 0.34 1.25 -0.67 0.00 0.00 178.83 180.40 1qpq h LEU 2708N 0.83 0.70 -0.72 1.46 5.85 -0.83 -1.31 115.31 121.28 1qpq h LEU 2708Ca 0.33 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 1qpq h LEU 2708Cb 0.24 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1qpq h LEU 2708CO -0.11 0.56 0.29 0.44 -0.34 0.00 0.00 178.44 179.28 1qpq h ASP 2709N 0.78 1.00 -0.52 1.25 3.32 0.90 -0.82 116.42 122.34 1qpq h ASP 2709Ca 0.21 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1qpq h ASP 2709Cb -0.01 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1qpq h ASP 2709CO -0.04 0.90 0.16 0.00 -1.72 0.00 0.00 179.24 178.54 1qpq h ALA 2710N 1.14 1.22 0.00 3.45 0.00 -0.82 -3.25 119.26 120.99 1qpq h ALA 2710Ca 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1qpq h ALA 2710Cb 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1qpq h ALA 2710CO -0.02 0.55 -1.40 1.33 0.00 0.00 0.00 179.25 179.70 1qpq n VAL 2711N -4.28 0.39 -0.22 0.00 0.24 -0.53 -4.44 118.33 109.49 1qpq n VAL 2711Ca 0.04 -0.53 0.02 0.00 -2.04 0.00 0.00 64.34 61.83 1qpq n VAL 2711Cb 0.21 -0.21 0.13 0.00 -1.47 0.00 0.00 33.84 32.50 1qpq n VAL 2711CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1qpq h LEU 2712N 0.00 0.26 -1.67 1.34 3.38 -1.18 -1.19 115.31 116.25 1qpq h LEU 2712Ca -0.00 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1qpq h LEU 2712Cb 1.01 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1qpq h LEU 2712CO 0.00 0.14 -0.08 1.55 0.09 0.00 0.00 178.44 180.13 1qpq h PRO 2713N 0.44 0.10 0.00 1.13 0.13 -1.78 -1.96 132.00 130.06 1qpq h PRO 2713Ca 0.34 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 1qpq h PRO 2713Cb 0.45 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.57 1qpq h PRO 2713CO -0.34 0.19 0.00 0.39 -0.23 0.00 0.00 178.00 178.02 1qpq n GLU 2714N -4.38 0.10 -3.79 0.86 -0.58 -0.46 -4.92 120.64 107.47 1qpq n GLU 2714Ca -0.02 0.42 -0.27 0.00 -0.42 0.00 0.00 57.16 56.87 1qpq n GLU 2714Cb 0.19 -1.72 0.02 0.00 -0.57 0.00 0.00 31.44 29.36 1qpq n GLU 2714CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1qpq n LYS 2715N -1.91 -2.80 -1.11 3.49 5.02 -0.74 -4.97 118.16 115.14 1qpq n LYS 2715Ca 0.02 0.47 -0.30 0.00 -2.02 0.00 0.00 58.31 56.48 1qpq n LYS 2715Cb 0.14 -4.51 0.15 0.00 -0.02 0.00 0.00 35.03 30.78 1qpq n LYS 2715CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qpq s PRO 2716N -6.19 1.15 0.12 1.97 0.04 -1.26 -4.95 135.00 125.89 1qpq s PRO 2716Ca 0.19 0.93 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 1qpq s PRO 2716Cb -0.07 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 1qpq s PRO 2716CO 0.86 -2.34 1.76 0.93 0.04 0.00 0.00 177.00 178.24 1qpq h GLU 2717N -1.63 0.16 -3.76 4.56 3.07 -1.93 -3.42 114.58 111.63 1qpq h GLU 2717Ca -0.49 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.23 1qpq h GLU 2717Cb 1.28 -0.04 -0.18 0.00 -0.84 0.00 0.00 28.75 28.98 1qpq h GLU 2717CO 0.53 0.10 -0.50 -0.51 -1.40 0.00 0.00 179.01 177.23 1qpq s LEU 2718N -10.22 1.73 -0.04 1.33 1.43 -1.11 -1.94 118.68 109.85 1qpq s LEU 2718Ca -0.13 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1qpq s LEU 2718Cb 0.08 0.66 -0.00 0.00 0.03 0.00 0.00 46.19 46.96 1qpq s LEU 2718CO 0.68 -0.52 -0.16 -0.63 0.23 0.00 0.00 176.35 175.95 1qpq s ILE 2719N -2.61 1.38 -0.32 -0.59 1.01 0.90 -1.96 121.20 119.00 1qpq s ILE 2719Ca -0.05 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.83 1qpq s ILE 2719Cb -0.01 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.28 1qpq s ILE 2719CO -0.05 0.40 0.12 -0.22 0.00 0.00 0.00 174.94 175.20 1qpq s LEU 2720N 0.06 4.13 -0.55 2.97 0.20 -0.24 -0.74 118.68 124.51 1qpq s LEU 2720Ca -0.04 -0.78 -0.27 0.00 0.69 0.00 0.00 54.13 53.73 1qpq s LEU 2720Cb -0.11 -1.93 0.03 0.00 -0.43 0.00 0.00 46.19 43.75 1qpq s LEU 2720CO 0.02 -0.25 1.12 -0.76 -0.29 0.00 0.00 176.35 176.19 1qpq s LEU 2721N 1.52 3.64 -0.49 -0.68 1.43 0.40 -1.74 118.68 122.76 1qpq s LEU 2721Ca 0.02 0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 52.98 1qpq s LEU 2721Cb -0.18 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 42.89 1qpq s LEU 2721CO 0.04 -1.37 0.84 -0.62 0.23 0.00 0.00 176.35 175.48 1qpq s ASP 2722N 2.80 6.38 -1.22 2.29 2.15 -0.52 -2.10 116.67 126.45 1qpq s ASP 2722Ca 0.41 -0.23 -0.04 0.00 0.43 0.00 0.00 52.55 53.12 1qpq s ASP 2722Cb -0.08 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1qpq s ASP 2722CO 0.26 -1.03 1.04 0.59 -0.17 0.00 0.00 175.17 175.86 1qpq n ASN 2723N 6.97 -4.14 -4.83 -0.34 3.02 0.49 -4.67 115.26 111.76 1qpq n ASN 2723Ca 0.02 -0.55 -0.35 0.00 -0.03 0.00 0.00 54.58 53.67 1qpq n ASN 2723Cb 0.48 -4.85 -0.06 0.00 -0.61 0.00 0.00 39.78 34.73 1qpq n ASN 2723CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1qpq s PHE 2724N -3.32 3.53 0.76 3.10 0.40 -1.26 -4.89 117.98 116.29 1qpq s PHE 2724Ca 0.28 1.32 -0.11 0.00 -0.60 0.00 0.00 56.93 57.82 1qpq s PHE 2724Cb -0.13 -2.59 0.05 0.00 0.51 0.00 0.00 43.02 40.86 1qpq s PHE 2724CO 0.69 0.23 1.10 0.00 0.70 0.00 0.00 175.22 177.93 1qpq s ALA 2725N -1.73 2.51 0.27 5.36 0.00 -1.26 -4.82 121.76 122.09 1qpq s ALA 2725Ca 0.48 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.15 1qpq s ALA 2725Cb -0.14 -3.08 0.33 0.00 0.00 0.00 0.00 23.12 20.23 1qpq s ALA 2725CO 0.19 -1.49 1.91 0.28 0.00 0.00 0.00 175.76 176.66 1qpq h VAL 2726N -0.91 1.24 -0.16 0.00 2.07 -1.97 -0.83 116.25 115.69 1qpq h VAL 2726Ca -0.46 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 1qpq h VAL 2726Cb 1.26 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1qpq h VAL 2726CO 0.61 0.25 -0.12 4.11 0.02 0.00 0.00 177.57 182.45 1qpq h TRP 2727N 1.19 0.27 -0.00 1.57 5.08 -1.99 -0.87 115.95 121.19 1qpq h TRP 2727Ca 0.31 -0.03 -0.16 0.00 1.08 0.00 0.00 58.89 60.09 1qpq h TRP 2727Cb -0.05 -0.08 -0.02 0.00 -3.00 0.00 0.00 29.16 26.02 1qpq h TRP 2727CO 0.01 0.37 -0.77 1.96 -1.28 0.00 0.00 178.44 178.73 1qpq h GLN 2728N 0.24 0.05 -0.33 0.12 4.20 -1.71 -2.60 115.11 115.07 1qpq h GLN 2728Ca 0.05 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1qpq h GLN 2728Cb 0.36 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1qpq h GLN 2728CO 0.02 0.79 -0.44 1.15 -0.67 0.00 0.00 178.83 179.68 1qpq h THR 2729N 0.03 1.28 -0.64 -0.54 2.02 -0.02 -1.18 112.91 113.86 1qpq h THR 2729Ca -0.01 -1.62 -0.05 0.00 0.77 0.00 0.00 66.41 65.50 1qpq h THR 2729Cb 1.35 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 69.21 1qpq h THR 2729CO 0.10 0.53 0.19 -0.61 0.37 0.00 0.00 175.52 176.11 1qpq h GLN 2730N 0.69 0.99 0.48 6.66 5.75 -1.16 -1.20 115.11 127.32 1qpq h GLN 2730Ca 0.04 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 1qpq h GLN 2730Cb 1.02 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.43 1qpq h GLN 2730CO 0.10 0.88 -0.23 1.15 -2.65 0.00 0.00 178.83 178.08 1qpq h THR 2731N 0.92 0.53 -0.84 2.39 2.02 -1.32 -1.82 112.91 114.80 1qpq h THR 2731Ca 0.20 -0.09 0.21 0.00 0.77 0.00 0.00 66.41 67.50 1qpq h THR 2731Cb 0.30 0.57 -0.13 0.00 -1.74 0.00 0.00 68.15 67.15 1qpq h THR 2731CO -0.01 0.02 0.22 0.00 0.37 0.00 0.00 175.52 176.12 1qpq h ALA 2732N -0.19 1.18 -0.26 6.16 0.00 -0.98 0.38 119.26 125.56 1qpq h ALA 2732Ca -0.07 0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1qpq h ALA 2732Cb 0.52 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1qpq h ALA 2732CO 0.11 -0.42 -0.36 0.28 0.00 0.00 0.00 179.25 178.85 1qpq h VAL 2733N 0.23 1.29 -0.09 0.00 2.07 -1.10 0.20 116.25 118.85 1qpq h VAL 2733Ca 0.51 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1qpq h VAL 2733Cb 0.99 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1qpq h VAL 2733CO -0.61 0.48 -0.01 1.56 0.02 0.00 0.00 177.57 179.00 1qpq h GLN 2734N 0.48 0.17 -0.63 1.57 4.20 0.30 -0.39 115.11 120.81 1qpq h GLN 2734Ca 0.05 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1qpq h GLN 2734Cb 0.85 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 1qpq h GLN 2734CO 0.07 0.46 0.29 0.00 -0.67 0.00 0.00 178.83 178.98 1qpq h ARG 2735N -0.14 0.92 -0.02 1.46 3.08 -0.35 -2.17 114.38 117.16 1qpq h ARG 2735Ca 0.02 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1qpq h ARG 2735Cb 0.39 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1qpq h ARG 2735CO 0.01 0.74 0.01 -0.09 -1.07 0.00 0.00 179.97 179.57 1qpq h ARG 2736N 0.87 0.03 -0.33 0.04 1.12 -0.89 -0.57 114.38 114.64 1qpq h ARG 2736Ca 0.21 -0.00 0.07 0.00 -1.11 0.00 0.00 59.98 59.15 1qpq h ARG 2736Cb 0.14 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.08 1qpq h ARG 2736CO -0.02 0.08 0.23 -0.44 -3.11 0.00 0.00 179.97 176.70 1qpq h ASP 2737N -0.03 0.12 0.44 -3.80 3.32 -0.80 0.42 116.42 116.09 1qpq h ASP 2737Ca 0.01 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1qpq h ASP 2737Cb 0.06 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1qpq h ASP 2737CO -0.00 0.07 -1.71 0.77 -1.72 0.00 0.00 179.24 176.65 1qpq h SER 2738N 0.13 0.12 0.00 6.45 4.64 -0.99 -3.40 113.55 120.51 1qpq h SER 2738Ca 0.15 -0.25 -0.27 0.00 -0.47 0.00 0.00 61.79 60.95 1qpq h SER 2738Cb 0.43 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 1qpq h SER 2738CO -0.02 1.22 -2.03 0.54 -0.87 0.00 0.00 176.83 175.67 1qpq n ARG 2739N -3.19 1.55 -2.95 4.77 1.74 -0.26 -4.86 116.66 113.46 1qpq n ARG 2739Ca -0.19 -0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 56.73 1qpq n ARG 2739Cb 1.04 -1.38 -0.00 0.00 -1.02 0.00 0.00 32.46 31.10 1qpq n ARG 2739CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qpq n ALA 2740N -2.56 0.34 0.05 7.54 0.00 0.12 -4.94 120.51 121.06 1qpq n ALA 2740Ca -0.24 -2.31 0.20 0.00 0.00 0.00 0.00 53.44 51.09 1qpq n ALA 2740Cb 0.99 -1.10 0.59 0.00 0.00 0.00 0.00 19.45 19.93 1qpq n ALA 2740CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qpq h PRO 2741N 3.95 0.00 0.00 0.00 0.11 -1.71 -0.88 132.00 133.47 1qpq h PRO 2741Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1qpq h PRO 2741Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1qpq h PRO 2741CO 0.38 0.00 -0.41 0.25 -0.21 0.00 0.00 178.00 178.01 1qpq n THR 2742N -3.32 0.35 -2.60 -1.15 -2.24 -1.26 -4.86 114.28 99.19 1qpq n THR 2742Ca 0.11 -0.23 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 1qpq n THR 2742Cb 0.93 -0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 1qpq n THR 2742CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1qpq s VAL 2743N -3.12 3.88 -0.03 2.28 1.01 -0.34 -4.96 120.40 119.13 1qpq s VAL 2743Ca 0.08 1.78 -0.02 0.00 0.00 0.00 0.00 61.98 63.82 1qpq s VAL 2743Cb 0.14 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1qpq s VAL 2743CO 0.67 0.38 0.11 -0.04 0.00 0.00 0.00 175.10 176.22 1qpq s MET 2744N -0.91 3.23 -0.09 2.72 -1.94 -0.82 -4.99 119.30 116.50 1qpq s MET 2744Ca 0.45 -0.38 -0.00 0.00 -1.71 0.00 0.00 55.69 54.05 1qpq s MET 2744Cb -0.28 -2.97 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 1qpq s MET 2744CO 0.35 0.68 -0.07 -0.51 -0.01 0.00 0.00 175.02 175.46 1qpq s LEU 2745N -1.63 3.12 -0.06 -0.03 1.02 -1.26 -0.07 118.68 119.77 1qpq s LEU 2745Ca 0.22 -0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.29 1qpq s LEU 2745Cb -0.12 -1.69 0.02 0.00 0.02 0.00 0.00 46.19 44.42 1qpq s LEU 2745CO 0.13 0.30 -0.04 -0.70 0.02 0.00 0.00 176.35 176.07 1qpq s GLU 2746N -0.45 0.86 -0.03 1.70 2.12 0.08 -0.64 118.70 122.34 1qpq s GLU 2746Ca 0.06 -0.06 -0.18 0.00 0.36 0.00 0.00 54.97 55.15 1qpq s GLU 2746Cb -0.12 -0.97 -0.05 0.00 0.26 0.00 0.00 34.13 33.24 1qpq s GLU 2746CO 0.02 -0.17 0.51 -1.12 -0.54 0.00 0.00 175.26 173.97 1qpq s SER 2747N 1.32 6.86 -0.09 -1.70 0.01 -0.58 -0.45 113.70 119.07 1qpq s SER 2747Ca -0.05 1.03 -0.08 0.00 1.31 0.00 0.00 55.95 58.16 1qpq s SER 2747Cb -0.14 -2.31 0.02 0.00 0.21 0.00 0.00 66.02 63.80 1qpq s SER 2747CO -0.02 0.15 0.23 -0.55 0.41 0.00 0.00 173.24 173.46 1qpq s SER 2748N -0.29 -0.24 0.00 2.44 0.15 -0.89 -0.03 113.70 114.84 1qpq s SER 2748Ca 0.28 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1qpq s SER 2748Cb -0.17 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1qpq s SER 2748CO 0.15 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1qpq n GLY 2749N 3.03 0.58 2.37 9.45 0.00 -1.26 -0.38 105.19 118.98 1qpq n GLY 2749Ca -0.13 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 1qpq n GLY 2749CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 2750N 0.00 4.59 3.77 -0.02 0.00 -1.26 -4.92 105.19 107.35 1qpq n GLY 2750Ca 0.00 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 1qpq n GLY 2750CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qpq s LEU 2751N -0.83 4.32 0.10 0.99 1.02 -1.26 -5.04 118.68 117.98 1qpq s LEU 2751Ca 0.63 0.64 0.03 0.00 0.02 0.00 0.00 54.13 55.45 1qpq s LEU 2751Cb 0.19 -2.42 -0.04 0.00 0.02 0.00 0.00 46.19 43.95 1qpq s LEU 2751CO -0.08 0.18 -0.08 -0.94 0.02 0.00 0.00 176.35 175.45 1qpq s SER 2752N -0.05 1.34 0.53 2.29 1.04 -1.26 -5.01 113.70 112.56 1qpq s SER 2752Ca 0.19 -0.90 0.23 0.00 0.48 0.00 0.00 55.95 55.94 1qpq s SER 2752Cb -0.14 0.04 1.43 0.00 0.10 0.00 0.00 66.02 67.45 1qpq s SER 2752CO 0.07 -0.35 2.13 0.25 0.98 0.00 0.00 173.24 176.32 1qpq h LEU 2753N 3.27 0.00 -0.59 2.42 5.85 -2.00 0.25 115.31 124.52 1qpq h LEU 2753Ca -0.36 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.25 1qpq h LEU 2753Cb 1.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1qpq h LEU 2753CO 0.58 0.07 -0.52 1.56 -0.34 0.00 0.00 178.44 179.80 1qpq h GLN 2754N 0.00 0.00 -0.01 1.25 1.08 -2.02 -3.17 115.11 112.24 1qpq h GLN 2754Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1qpq h GLN 2754Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1qpq h GLN 2754CO 0.01 0.52 -0.60 0.25 -0.95 0.00 0.00 178.83 178.05 1qpq n THR 2755N -3.48 0.00 -0.21 -0.54 -2.24 -0.63 -4.65 114.28 102.53 1qpq n THR 2755Ca 0.00 -0.20 0.01 0.00 -2.27 0.00 0.00 64.05 61.60 1qpq n THR 2755Cb 0.63 1.13 0.11 0.00 -2.10 0.00 0.00 70.33 70.09 1qpq n THR 2755CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qpq h ALA 2756N 3.00 0.64 -0.27 6.98 0.00 -0.52 -2.00 119.26 127.09 1qpq h ALA 2756Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1qpq h ALA 2756Cb 0.55 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1qpq h ALA 2756CO 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 179.25 178.70 1qpq h ALA 2757N 1.57 1.22 -0.46 0.00 0.00 -1.81 -0.15 119.26 119.63 1qpq h ALA 2757Ca 0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1qpq h ALA 2757Cb 0.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1qpq h ALA 2757CO -0.53 0.51 0.21 1.15 0.00 0.00 0.00 179.25 180.59 1qpq h THR 2758N 0.43 1.19 -0.22 0.00 2.02 -1.69 0.24 112.91 114.89 1qpq h THR 2758Ca 0.08 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.65 1qpq h THR 2758Cb 0.54 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1qpq h THR 2758CO 0.03 0.21 -0.12 1.88 0.37 0.00 0.00 175.52 177.89 1qpq h TYR 2759N 0.60 0.55 -0.79 3.16 -1.99 -1.09 -3.16 116.97 114.24 1qpq h TYR 2759Ca 0.16 -0.14 0.09 0.00 2.00 0.00 0.00 58.73 60.83 1qpq h TYR 2759Cb 0.13 -0.13 -0.05 0.00 2.00 0.00 0.00 36.73 38.68 1qpq h TYR 2759CO -0.01 0.76 0.52 0.00 -0.00 0.00 0.00 178.16 179.44 1qpq h ALA 2760N 0.70 1.72 0.00 3.88 0.00 -0.82 -1.90 119.26 122.84 1qpq h ALA 2760Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1qpq h ALA 2760Cb 0.63 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1qpq h ALA 2760CO 0.04 0.13 -0.20 0.93 0.00 0.00 0.00 179.25 180.14 1qpq h GLU 2761N 0.77 0.00 0.00 0.00 5.08 -0.92 -2.19 114.58 117.32 1qpq h GLU 2761Ca 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1qpq h GLU 2761Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1qpq h GLU 2761CO -0.13 0.20 -0.01 1.79 -1.00 0.00 0.00 179.01 179.86 1qpq h THR 2762N 0.00 0.61 0.00 1.13 1.35 -1.36 -3.46 112.91 111.18 1qpq h THR 2762Ca -0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1qpq h THR 2762Cb 0.43 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1qpq h THR 2762CO 0.03 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1qpq n GLY 2763N -1.32 1.23 3.73 5.82 0.00 -0.82 -4.86 105.19 108.97 1qpq n GLY 2763Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1qpq n GLY 2763CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qpq s VAL 2764N -2.00 2.70 0.03 1.61 -7.23 -1.26 -4.96 120.40 109.29 1qpq s VAL 2764Ca 0.00 0.26 0.03 0.00 -1.81 0.00 0.00 61.98 60.47 1qpq s VAL 2764Cb 0.00 -2.63 -0.25 0.00 0.56 0.00 0.00 36.38 34.07 1qpq s VAL 2764CO 0.00 -0.26 0.95 0.44 -0.31 0.00 0.00 175.10 175.92 1qpq h ASP 2765N -1.01 0.19 -5.31 4.85 3.32 -1.25 -3.36 116.42 113.85 1qpq h ASP 2765Ca -0.45 -0.26 -0.14 0.00 0.02 0.00 0.00 57.03 56.20 1qpq h ASP 2765Cb 1.26 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.60 1qpq h ASP 2765CO 0.48 1.21 -0.66 -0.31 -1.72 0.00 0.00 179.24 178.25 1qpq s TYR 2766N -2.64 0.64 -0.12 4.55 2.02 -0.98 -1.54 117.35 119.28 1qpq s TYR 2766Ca -0.05 -1.12 -0.00 0.00 -0.37 0.00 0.00 57.07 55.53 1qpq s TYR 2766Cb 0.08 -0.41 0.02 0.00 -0.40 0.00 0.00 41.96 41.25 1qpq s TYR 2766CO 0.84 -0.44 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.78 1qpq s LEU 2767N -2.97 1.29 -0.36 -1.29 1.02 -0.11 -1.53 118.68 114.74 1qpq s LEU 2767Ca 0.13 -0.33 -0.18 0.00 0.02 0.00 0.00 54.13 53.77 1qpq s LEU 2767Cb 0.08 -0.90 0.00 0.00 0.02 0.00 0.00 46.19 45.39 1qpq s LEU 2767CO -0.06 -0.10 0.52 0.00 0.02 0.00 0.00 176.35 176.73 1qpq s ALA 2768N 1.62 3.46 -0.38 4.21 0.00 0.96 -0.19 121.76 131.44 1qpq s ALA 2768Ca 0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 1qpq s ALA 2768Cb -0.13 -3.05 0.10 0.00 0.00 0.00 0.00 23.12 20.04 1qpq s ALA 2768CO -0.08 -1.31 0.14 0.08 0.00 0.00 0.00 175.76 174.60 1qpq s VAL 2769N 2.41 3.08 0.25 0.00 1.01 0.10 -4.49 120.40 122.77 1qpq s VAL 2769Ca 0.18 -1.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.13 1qpq s VAL 2769Cb -0.15 -3.07 0.21 0.00 0.00 0.00 0.00 36.38 33.36 1qpq s VAL 2769CO 0.14 -0.57 1.87 1.23 0.00 0.00 0.00 175.10 177.77 1qpq h GLY 2770N 7.97 1.25 0.88 4.51 0.00 -1.91 -2.71 103.07 113.07 1qpq h GLY 2770Ca -0.13 -0.57 0.11 0.00 0.00 0.00 0.00 47.33 46.74 1qpq h GLY 2770CO 0.64 0.55 0.45 0.00 0.00 0.00 0.00 176.54 178.18 1qpq h ALA 2771N 1.32 2.08 -0.70 3.60 0.00 -1.93 -0.85 119.26 122.78 1qpq h ALA 2771Ca 0.29 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.31 1qpq h ALA 2771Cb 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1qpq h ALA 2771CO -0.05 -0.65 0.47 -0.07 0.00 0.00 0.00 179.25 178.95 1qpq h LEU 2772N 0.00 0.41 0.00 0.00 4.07 -1.79 -3.32 115.31 114.69 1qpq h LEU 2772Ca 0.19 0.02 -0.10 0.00 0.08 0.00 0.00 57.88 58.06 1qpq h LEU 2772Cb 1.08 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.73 1qpq h LEU 2772CO -0.00 0.23 -1.38 0.35 -1.08 0.00 0.00 178.44 176.56 1qpq n THR 2773N -4.48 0.38 -3.18 0.22 -2.24 -0.38 -4.73 114.28 99.87 1qpq n THR 2773Ca 0.12 -0.20 -0.23 0.00 -2.27 0.00 0.00 64.05 61.47 1qpq n THR 2773Cb 0.44 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1qpq n THR 2773CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1qpq s HIS 2774N -2.13 3.33 -1.21 4.78 -3.43 -0.87 -4.58 115.29 111.18 1qpq s HIS 2774Ca -0.05 0.26 -0.05 0.00 -0.80 0.00 0.00 55.06 54.42 1qpq s HIS 2774Cb 0.02 -2.12 -0.02 0.00 -1.43 0.00 0.00 32.58 29.03 1qpq s HIS 2774CO 0.20 -0.14 0.80 0.43 -2.00 0.00 0.00 174.74 174.03 1qpq n SER 2775N -1.93 -3.13 -4.68 7.38 7.64 -1.26 -4.37 113.62 113.26 1qpq n SER 2775Ca -0.01 -0.81 -0.32 0.00 1.01 0.00 0.00 58.87 58.74 1qpq n SER 2775Cb 0.57 -4.29 -0.09 0.00 -1.01 0.00 0.00 64.21 59.39 1qpq n SER 2775CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1qpq s VAL 2776N -3.54 4.12 -0.16 0.44 -7.23 -1.26 -4.79 120.40 107.98 1qpq s VAL 2776Ca 0.18 -0.68 -0.04 0.00 -1.81 0.00 0.00 61.98 59.63 1qpq s VAL 2776Cb -0.04 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.01 1qpq s VAL 2776CO 0.80 0.33 -0.03 -0.60 -0.31 0.00 0.00 175.10 175.28 1qpq s ARG 2777N -1.70 3.66 0.43 4.82 3.52 -1.26 -5.06 118.95 123.36 1qpq s ARG 2777Ca 0.21 -0.52 -0.25 0.00 -0.13 0.00 0.00 55.73 55.03 1qpq s ARG 2777Cb -0.12 -2.93 -0.08 0.00 -1.56 0.00 0.00 34.95 30.26 1qpq s ARG 2777CO 0.12 0.22 1.32 0.54 -0.81 0.00 0.00 175.30 176.69 1qpq s VAL 2778N 0.42 2.51 -0.17 7.11 0.11 -1.26 -4.28 120.40 124.85 1qpq s VAL 2778Ca -0.04 0.45 -0.24 0.00 -2.93 0.00 0.00 61.98 59.22 1qpq s VAL 2778Cb -0.14 -3.26 -0.02 0.00 -1.53 0.00 0.00 36.38 31.43 1qpq s VAL 2778CO 0.03 0.06 0.79 -0.22 -3.33 0.00 0.00 175.10 172.42 1qpq s LEU 2779N -2.61 4.18 -0.33 2.54 2.96 -0.27 -4.83 118.68 120.33 1qpq s LEU 2779Ca 0.59 1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 55.33 1qpq s LEU 2779Cb -0.39 -3.17 0.01 0.00 0.50 0.00 0.00 46.19 43.15 1qpq s LEU 2779CO 0.49 -0.36 1.20 -0.62 -1.32 0.00 0.00 176.35 175.75 1qpq s ASP 2780N 1.14 6.76 0.04 3.68 2.15 -1.26 -4.47 116.67 124.71 1qpq s ASP 2780Ca 0.37 1.07 0.03 0.00 0.43 0.00 0.00 52.55 54.45 1qpq s ASP 2780Cb -0.17 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.89 1qpq s ASP 2780CO 0.13 -1.03 -0.09 -0.63 -0.17 0.00 0.00 175.17 173.38 1qpq s ILE 2781N 4.12 0.70 0.25 4.11 1.01 -1.26 0.42 121.20 130.54 1qpq s ILE 2781Ca 0.51 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1qpq s ILE 2781Cb -0.14 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 1qpq s ILE 2781CO 0.21 -0.19 0.06 -0.83 0.00 0.00 0.00 174.94 174.19 1qpq s GLY 2782N -1.22 1.65 -0.30 6.18 0.00 0.37 -4.93 107.32 109.07 1qpq s GLY 2782Ca -0.04 -1.83 -0.05 0.00 0.00 0.00 0.00 44.72 42.80 1qpq s GLY 2782CO 0.01 -1.62 0.06 -2.27 0.00 0.00 0.00 173.10 169.27 1qpq s LEU 2783N -3.31 3.86 -0.21 0.66 2.96 -1.26 -0.29 118.68 121.10 1qpq s LEU 2783Ca 0.34 -0.90 -0.07 0.00 -0.22 0.00 0.00 54.13 53.29 1qpq s LEU 2783Cb 0.07 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1qpq s LEU 2783CO 0.11 -0.22 0.05 -1.81 -1.32 0.00 0.00 176.35 173.16 1qpq s ASP 2784N 1.42 5.20 0.00 3.68 1.01 0.15 -4.91 116.67 123.22 1qpq s ASP 2784Ca 0.00 -0.12 0.07 0.00 0.71 0.00 0.00 52.55 53.21 1qpq s ASP 2784Cb -0.18 -1.91 0.05 0.00 1.01 0.00 0.00 42.92 41.90 1qpq s ASP 2784CO 0.01 0.06 0.71 0.23 0.21 0.00 0.00 175.17 176.39