#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxb s LYS 347 N 0.00 1.23 -0.08 0.11 2.47 -1.26 -4.43 119.74 117.78 3dxb s LYS 347 Ca 0.00 -1.51 -0.17 0.00 -1.56 0.00 0.00 55.97 52.73 3dxb s LYS 347 Cb 0.00 0.31 -0.05 0.00 -1.46 0.00 0.00 37.83 36.63 3dxb s LYS 347 CO 0.00 -0.42 0.44 0.42 0.16 0.00 0.00 175.35 175.95 3dxb s ILE 348 N -4.11 5.13 0.08 5.43 1.01 -1.26 -4.56 121.20 122.92 3dxb s ILE 348 Ca 0.33 0.89 -0.30 0.00 0.00 0.00 0.00 60.65 61.56 3dxb s ILE 348 Cb 0.05 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 3dxb s ILE 348 CO 0.09 0.42 1.00 -0.63 0.00 0.00 0.00 174.94 175.82 3dxb s ILE 349 N 0.01 4.53 -0.30 2.92 1.01 -0.59 -4.95 121.20 123.83 3dxb s ILE 349 Ca 0.24 1.97 -0.15 0.00 0.00 0.00 0.00 60.65 62.72 3dxb s ILE 349 Cb -0.16 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 3dxb s ILE 349 CO 0.11 0.24 0.38 -2.28 0.00 0.00 0.00 174.94 173.39 3dxb s HIS 350 N 0.40 3.23 0.50 3.97 2.46 -1.26 -0.41 115.29 124.18 3dxb s HIS 350 Ca 0.50 0.25 -0.05 0.00 0.47 0.00 0.00 55.06 56.23 3dxb s HIS 350 Cb -0.24 -2.63 -0.03 0.00 -0.13 0.00 0.00 32.58 29.55 3dxb s HIS 350 CO 0.30 -0.32 0.80 -0.51 -2.47 0.00 0.00 174.74 172.55 3dxb s LEU 351 N 2.08 3.58 0.40 8.88 1.43 0.12 -4.94 118.68 130.23 3dxb s LEU 351 Ca 0.14 0.93 0.05 0.00 -1.03 0.00 0.00 54.13 54.21 3dxb s LEU 351 Cb -0.16 -3.87 -0.06 0.00 0.03 0.00 0.00 46.19 42.13 3dxb s LEU 351 CO 0.11 -0.63 0.04 0.42 0.23 0.00 0.00 176.35 176.51 3dxb s THR 352 N -2.78 1.48 0.43 5.49 -4.23 -1.26 -4.61 115.64 110.16 3dxb s THR 352 Ca 0.48 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.11 3dxb s THR 352 Cb -0.10 -2.74 0.19 0.00 1.34 0.00 0.00 72.50 71.19 3dxb s THR 352 CO 0.45 0.00 1.98 0.44 -0.54 0.00 0.00 174.62 176.95 3dxb h ASP 353 N 1.81 0.12 0.65 3.99 3.45 -1.92 -1.92 116.42 122.60 3dxb h ASP 353 Ca -0.42 -0.02 -0.25 0.00 0.43 0.00 0.00 57.03 56.77 3dxb h ASP 353 Cb 1.26 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.99 3dxb h ASP 353 CO 0.74 0.25 -1.13 0.44 -1.57 0.00 0.00 179.24 177.97 3dxb h ASP 354 N 0.12 0.36 0.89 6.45 5.19 -2.01 -3.32 116.42 124.10 3dxb h ASP 354 Ca 0.03 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 3dxb h ASP 354 Cb 0.29 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.68 3dxb h ASP 354 CO 0.02 1.25 -0.51 -1.54 -3.12 0.00 0.00 179.24 175.34 3dxb n SER 355 N -3.55 0.66 0.04 6.45 3.41 -1.14 -4.48 113.62 115.01 3dxb n SER 355 Ca -0.07 0.14 -0.12 0.00 -0.26 0.00 0.00 58.87 58.57 3dxb n SER 355 Cb 0.97 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.90 3dxb n SER 355 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3dxb h PHE 356 N 0.00 -0.95 -0.87 7.33 3.57 -1.45 0.36 116.94 124.93 3dxb h PHE 356 Ca 0.00 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.67 3dxb h PHE 356 Cb 0.70 0.42 -0.09 0.00 2.79 0.00 0.00 35.95 39.78 3dxb h PHE 356 CO 0.00 -0.43 0.48 0.22 -2.23 0.00 0.00 178.31 176.35 3dxb h ASP 357 N -0.48 0.62 0.18 0.41 1.82 -1.82 0.41 116.42 117.57 3dxb h ASP 357 Ca 0.07 0.08 -0.26 0.00 -0.39 0.00 0.00 57.03 56.53 3dxb h ASP 357 Cb 0.58 -0.03 0.02 0.00 0.68 0.00 0.00 39.33 40.58 3dxb h ASP 357 CO -0.30 0.29 -1.17 0.74 -1.61 0.00 0.00 179.24 177.19 3dxb h THR 358 N 0.71 1.35 0.00 2.25 2.02 -1.71 0.54 112.91 118.07 3dxb h THR 358 Ca 0.46 -2.58 -0.00 0.00 0.77 0.00 0.00 66.41 65.06 3dxb h THR 358 Cb 0.58 3.07 -0.00 0.00 -1.74 0.00 0.00 68.15 70.06 3dxb h THR 358 CO -0.33 0.76 -0.00 0.44 0.37 0.00 0.00 175.52 176.76 3dxb h ASP 359 N -0.16 0.00 0.00 4.18 5.19 0.03 -3.04 116.42 122.62 3dxb h ASP 359 Ca -0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 3dxb h ASP 359 Cb 1.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.38 3dxb h ASP 359 CO 0.19 0.00 -0.02 0.52 -3.12 0.00 0.00 179.24 176.82 3dxb n VAL 360 N -3.10 0.95 0.17 -1.35 0.31 0.14 -4.49 118.33 110.95 3dxb n VAL 360 Ca 0.03 0.31 0.03 0.00 -0.01 0.00 0.00 64.34 64.70 3dxb n VAL 360 Cb 0.46 -1.46 0.26 0.00 -0.91 0.00 0.00 33.84 32.19 3dxb n VAL 360 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3dxb h LEU 361 N -0.02 0.00 -1.80 7.52 3.38 -1.38 -3.09 115.31 119.93 3dxb h LEU 361 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dxb h LEU 361 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dxb h LEU 361 CO 0.00 0.47 0.00 0.29 0.09 0.00 0.00 178.44 179.29 3dxb n LYS 362 N -3.60 1.25 -1.92 1.13 5.02 0.12 -3.41 118.16 116.75 3dxb n LYS 362 Ca -0.00 -1.47 -0.37 0.00 -2.02 0.00 0.00 58.31 54.45 3dxb n LYS 362 Cb 0.56 -1.26 0.03 0.00 -0.02 0.00 0.00 35.03 34.34 3dxb n LYS 362 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxb s ALA 363 N -1.07 2.72 0.01 7.82 0.00 -1.15 -4.97 121.76 125.12 3dxb s ALA 363 Ca 0.18 1.16 -0.20 0.00 0.00 0.00 0.00 51.96 53.10 3dxb s ALA 363 Cb 0.12 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 3dxb s ALA 363 CO 0.17 -1.22 0.59 -0.51 0.00 0.00 0.00 175.76 174.78 3dxb s ASP 364 N -1.25 6.99 0.00 0.00 1.01 -1.26 -4.62 116.67 117.55 3dxb s ASP 364 Ca 0.73 1.18 0.00 0.00 0.71 0.00 0.00 52.55 55.17 3dxb s ASP 364 Cb -0.35 -2.36 0.00 0.00 1.01 0.00 0.00 42.92 41.22 3dxb s ASP 364 CO 0.41 0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.54 3dxb n GLY 365 N 2.27 -1.50 3.76 0.21 0.00 -1.26 -4.95 105.19 103.72 3dxb n GLY 365 Ca -0.08 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 3dxb n GLY 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxb s ALA 366 N -1.91 3.40 -0.11 4.61 0.00 -1.26 -4.58 121.76 121.92 3dxb s ALA 366 Ca 0.00 0.89 0.03 0.00 0.00 0.00 0.00 51.96 52.88 3dxb s ALA 366 Cb 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.80 3dxb s ALA 366 CO 0.00 -0.15 -0.21 0.42 0.00 0.00 0.00 175.76 175.82 3dxb s ILE 367 N -1.11 1.90 -0.37 0.00 -1.09 -0.05 -1.39 121.20 119.08 3dxb s ILE 367 Ca 0.45 -0.91 -0.12 0.00 -2.23 0.00 0.00 60.65 57.84 3dxb s ILE 367 Cb -0.32 -1.67 0.02 0.00 -1.58 0.00 0.00 42.46 38.91 3dxb s ILE 367 CO 0.40 0.52 0.23 -0.22 -1.23 0.00 0.00 174.94 174.64 3dxb s LEU 368 N 0.57 4.71 -0.27 2.97 2.96 0.48 0.01 118.68 130.12 3dxb s LEU 368 Ca -0.14 -0.85 -0.11 0.00 -0.22 0.00 0.00 54.13 52.81 3dxb s LEU 368 Cb -0.17 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 3dxb s LEU 368 CO 0.04 -0.36 0.21 -0.69 -1.32 0.00 0.00 176.35 174.23 3dxb s VAL 369 N 1.61 5.30 -0.34 1.68 1.01 0.65 -0.59 120.40 129.72 3dxb s VAL 369 Ca 0.04 0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.09 3dxb s VAL 369 Cb -0.19 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3dxb s VAL 369 CO 0.08 0.25 0.35 -0.62 0.00 0.00 0.00 175.10 175.16 3dxb s ASP 370 N 1.68 6.17 -0.41 3.32 2.15 0.92 -1.47 116.67 129.04 3dxb s ASP 370 Ca 0.08 -0.22 -0.21 0.00 0.43 0.00 0.00 52.55 52.63 3dxb s ASP 370 Cb -0.16 -2.19 0.02 0.00 -0.30 0.00 0.00 42.92 40.29 3dxb s ASP 370 CO 0.10 -0.32 0.65 -0.36 -0.17 0.00 0.00 175.17 175.07 3dxb s PHE 371 N 2.00 3.09 0.26 -5.34 0.40 -0.97 -0.50 117.98 116.92 3dxb s PHE 371 Ca 0.11 0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 3dxb s PHE 371 Cb -0.17 -3.29 -0.04 0.00 0.51 0.00 0.00 43.02 40.04 3dxb s PHE 371 CO 0.11 -0.78 0.15 1.67 0.70 0.00 0.00 175.22 177.07 3dxb s TRP 372 N 2.81 1.44 0.06 0.36 1.48 -0.62 -3.14 118.94 121.33 3dxb s TRP 372 Ca 0.24 -1.38 -0.13 0.00 -1.06 0.00 0.00 56.10 53.77 3dxb s TRP 372 Cb -0.14 -0.73 0.02 0.00 -1.16 0.00 0.00 33.47 31.46 3dxb s TRP 372 CO 0.18 -0.58 0.29 0.00 -4.06 0.00 0.00 176.95 172.78 3dxb s ALA 373 N -3.83 -0.62 0.22 2.67 0.00 -1.26 -0.91 121.76 118.03 3dxb s ALA 373 Ca 0.38 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.15 3dxb s ALA 373 Cb 0.06 0.41 0.19 0.00 0.00 0.00 0.00 23.12 23.78 3dxb s ALA 373 CO 0.16 -0.46 1.70 1.49 0.00 0.00 0.00 175.76 178.64 3dxb h GLU 374 N 3.01 0.95 0.00 0.00 4.57 -2.01 -2.50 114.58 118.60 3dxb h GLU 374 Ca -0.33 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.58 3dxb h GLU 374 Cb 1.21 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3dxb h GLU 374 CO 0.48 0.94 0.00 -2.67 -1.18 0.00 0.00 179.01 176.58 3dxb n TRP 375 N -4.19 0.00 -3.04 0.92 4.27 -1.26 -4.78 117.44 109.36 3dxb n TRP 375 Ca 0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.21 3dxb n TRP 375 Cb 0.33 -0.05 -0.06 0.00 -1.36 0.00 0.00 31.31 30.16 3dxb n TRP 375 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3dxb h GLY 377 N 9.85 -1.23 1.41 0.00 0.00 -1.88 -2.04 103.07 109.19 3dxb h GLY 377 Ca -0.25 0.46 0.07 0.00 0.00 0.00 0.00 47.33 47.61 3dxb h GLY 377 CO 0.92 -0.44 0.22 -0.56 0.00 0.00 0.00 176.54 176.68 3dxb h PRO 378 N -1.17 0.00 -0.27 4.80 0.13 -1.93 -2.11 132.00 131.45 3dxb h PRO 378 Ca -0.12 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.95 3dxb h PRO 378 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 3dxb h PRO 378 CO 0.18 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 177.89 3dxb h LYS 380 N 0.26 0.00 -0.25 0.00 1.57 -0.85 -2.79 116.57 114.51 3dxb h LYS 380 Ca 0.07 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3dxb h LYS 380 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3dxb h LYS 380 CO 0.03 0.13 -0.15 1.98 -0.57 0.00 0.00 179.45 180.87 3dxb h MET 381 N 0.00 0.54 0.00 3.15 4.05 -1.17 -3.22 114.93 118.27 3dxb h MET 381 Ca -0.00 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 3dxb h MET 381 Cb 0.23 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 3dxb h MET 381 CO 0.02 0.81 -0.22 0.44 0.23 0.00 0.00 176.91 178.19 3dxb n ILE 382 N -4.45 0.23 -0.01 1.77 -5.35 -0.99 -4.30 119.36 106.25 3dxb n ILE 382 Ca -0.04 -0.13 -0.09 0.00 -0.27 0.00 0.00 62.75 62.22 3dxb n ILE 382 Cb 0.37 -0.30 -0.03 0.00 -1.74 0.00 0.00 39.64 37.94 3dxb n ILE 382 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dxb h ALA 383 N 2.77 0.00 -0.00 -1.28 0.00 -1.50 0.21 119.26 119.47 3dxb h ALA 383 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3dxb h ALA 383 Cb 0.61 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3dxb h ALA 383 CO 0.00 -0.55 -0.38 -1.00 0.00 0.00 0.00 179.25 177.32 3dxb h PRO 384 N -0.12 0.01 -0.58 0.00 0.13 -1.77 -1.69 132.00 127.98 3dxb h PRO 384 Ca 0.09 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 3dxb h PRO 384 Cb 0.26 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.36 3dxb h PRO 384 CO -0.22 0.38 0.28 0.82 -0.23 0.00 0.00 178.00 179.04 3dxb h ILE 385 N 0.00 1.21 -0.45 -3.56 2.04 -1.64 -2.55 117.51 112.56 3dxb h ILE 385 Ca -0.00 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 3dxb h ILE 385 Cb 0.67 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3dxb h ILE 385 CO 0.05 0.23 0.14 -0.07 0.00 0.00 0.00 178.15 178.50 3dxb h LEU 386 N 0.79 0.60 -0.06 1.44 3.38 -0.03 -1.51 115.31 119.91 3dxb h LEU 386 Ca 0.20 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dxb h LEU 386 Cb 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3dxb h LEU 386 CO -0.03 0.58 0.04 0.44 0.09 0.00 0.00 178.44 179.56 3dxb h ASP 387 N 0.65 0.07 -0.82 -0.43 3.45 -1.09 -0.11 116.42 118.15 3dxb h ASP 387 Ca 0.15 -0.04 -0.03 0.00 0.43 0.00 0.00 57.03 57.55 3dxb h ASP 387 Cb 0.20 -0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 38.91 3dxb h ASP 387 CO -0.01 0.09 0.40 -0.33 -1.57 0.00 0.00 179.24 177.82 3dxb h GLU 388 N 0.05 1.18 -0.43 3.56 5.08 -1.11 -1.71 114.58 121.19 3dxb h GLU 388 Ca 0.02 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3dxb h GLU 388 Cb 0.03 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3dxb h GLU 388 CO -0.00 0.90 0.06 0.82 -1.00 0.00 0.00 179.01 179.79 3dxb h ILE 389 N 1.17 1.25 -0.75 3.13 1.08 -1.16 -0.65 117.51 121.57 3dxb h ILE 389 Ca 0.28 -0.91 0.01 0.00 -0.39 0.00 0.00 64.86 63.86 3dxb h ILE 389 Cb 0.11 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 3dxb h ILE 389 CO -0.04 0.31 0.50 0.00 -0.69 0.00 0.00 178.15 178.24 3dxb h ALA 390 N 0.94 1.47 0.02 1.87 0.00 -0.63 -1.53 119.26 121.40 3dxb h ALA 390 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dxb h ALA 390 Cb 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dxb h ALA 390 CO 0.01 0.49 -0.01 -0.44 0.00 0.00 0.00 179.25 179.30 3dxb h ASP 391 N 1.01 -0.03 0.25 0.00 3.32 -1.17 -3.21 116.42 116.60 3dxb h ASP 391 Ca 0.28 -0.61 -0.04 0.00 0.02 0.00 0.00 57.03 56.68 3dxb h ASP 391 Cb -0.11 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3dxb h ASP 391 CO -0.06 0.61 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.56 3dxb h GLU 392 N -0.69 0.00 -0.37 3.56 5.08 -0.99 -3.19 114.58 117.99 3dxb h GLU 392 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dxb h GLU 392 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3dxb h GLU 392 CO 0.01 0.18 0.00 0.66 -1.00 0.00 0.00 179.01 178.86 3dxb n TYR 393 N -4.08 0.83 -1.55 4.33 4.02 -0.59 -5.04 117.16 115.09 3dxb n TYR 393 Ca -0.02 -0.66 -0.41 0.00 -0.01 0.00 0.00 57.90 56.80 3dxb n TYR 393 Cb 0.26 -0.18 0.02 0.00 -0.02 0.00 0.00 39.34 39.42 3dxb n TYR 393 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3dxb n GLN 394 N 0.24 0.96 0.00 -0.72 10.64 -1.20 -0.26 117.38 127.03 3dxb n GLN 394 Ca 0.18 0.35 0.00 0.00 -1.83 0.00 0.00 57.00 55.70 3dxb n GLN 394 Cb 0.69 -1.86 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 3dxb n GLN 394 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3dxb n GLY 395 N 1.45 2.24 0.02 2.61 0.00 -1.26 -4.55 105.19 105.69 3dxb n GLY 395 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 3dxb n GLY 395 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxb n LYS 396 N -1.92 3.17 -3.77 1.61 5.02 -0.68 -5.05 118.16 116.54 3dxb n LYS 396 Ca 0.00 -0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 3dxb n LYS 396 Cb 0.00 -1.12 -0.13 0.00 -0.02 0.00 0.00 35.03 33.76 3dxb n LYS 396 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3dxb s LEU 397 N -4.36 0.92 -0.18 -0.35 2.96 0.64 -4.00 118.68 114.31 3dxb s LEU 397 Ca -0.02 0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 54.25 3dxb s LEU 397 Cb 0.01 0.60 -0.02 0.00 0.50 0.00 0.00 46.19 47.29 3dxb s LEU 397 CO 0.19 -0.11 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.17 3dxb s THR 398 N 0.66 3.59 -0.04 3.68 2.01 -0.49 -4.29 115.64 120.77 3dxb s THR 398 Ca -0.05 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.32 3dxb s THR 398 Cb -0.06 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 3dxb s THR 398 CO -0.04 0.46 0.52 -0.69 -0.69 0.00 0.00 174.62 174.19 3dxb s VAL 399 N 0.88 5.02 0.00 3.82 1.01 -1.26 -0.38 120.40 129.48 3dxb s VAL 399 Ca -0.01 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.07 3dxb s VAL 399 Cb -0.15 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3dxb s VAL 399 CO 0.01 0.42 -0.05 0.00 0.00 0.00 0.00 175.10 175.48 3dxb s ALA 400 N -0.11 0.44 -0.08 5.51 0.00 0.24 -1.54 121.76 126.22 3dxb s ALA 400 Ca 0.28 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.00 3dxb s ALA 400 Cb -0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 3dxb s ALA 400 CO 0.14 0.09 -0.19 0.15 0.00 0.00 0.00 175.76 175.95 3dxb s LYS 401 N -0.27 2.87 -0.23 0.00 1.02 0.46 -0.05 119.74 123.53 3dxb s LYS 401 Ca 0.01 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.22 3dxb s LYS 401 Cb -0.03 -2.36 0.05 0.00 -0.52 0.00 0.00 37.83 34.96 3dxb s LYS 401 CO -0.00 0.35 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.47 3dxb s LEU 402 N -0.05 2.92 -0.25 3.17 2.96 0.34 0.15 118.68 127.92 3dxb s LEU 402 Ca -0.05 -1.11 -0.29 0.00 -0.22 0.00 0.00 54.13 52.46 3dxb s LEU 402 Cb -0.14 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 3dxb s LEU 402 CO 0.04 -0.12 1.36 0.21 -1.32 0.00 0.00 176.35 176.52 3dxb s ASN 403 N 1.19 6.68 0.00 3.68 3.84 -1.26 -1.60 114.94 127.47 3dxb s ASN 403 Ca -0.04 1.42 0.24 0.00 0.21 0.00 0.00 52.86 54.69 3dxb s ASN 403 Cb -0.17 -2.54 1.13 0.00 -0.55 0.00 0.00 41.25 39.12 3dxb s ASN 403 CO -0.08 -1.04 1.80 2.30 -2.79 0.00 0.00 177.10 177.29 3dxb n ILE 404 N 6.04 0.28 -0.03 -5.21 -5.35 -0.09 -0.69 119.36 114.31 3dxb n ILE 404 Ca 0.15 0.07 -0.21 0.00 -0.27 0.00 0.00 62.75 62.49 3dxb n ILE 404 Cb 0.46 -0.66 -0.13 0.00 -1.74 0.00 0.00 39.64 37.57 3dxb n ILE 404 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3dxb h ASP 405 N 0.00 0.25 0.75 7.28 3.45 -1.91 -3.23 116.42 123.01 3dxb h ASP 405 Ca 0.00 -0.77 -0.09 0.00 0.43 0.00 0.00 57.03 56.60 3dxb h ASP 405 Cb 0.32 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 3dxb h ASP 405 CO 0.00 1.61 -0.43 1.56 -1.57 0.00 0.00 179.24 180.41 3dxb h GLN 406 N -0.47 0.00 -2.35 3.56 4.20 -1.92 -3.38 115.11 114.75 3dxb h GLN 406 Ca -0.33 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.79 3dxb h GLN 406 Cb 1.64 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 29.03 3dxb h GLN 406 CO -0.02 0.43 -0.93 0.09 -0.67 0.00 0.00 178.83 177.73 3dxb n ASN 407 N -3.64 0.53 0.00 1.46 4.13 0.14 -4.93 115.26 112.95 3dxb n ASN 407 Ca -0.01 -2.67 0.11 0.00 1.68 0.00 0.00 54.58 53.70 3dxb n ASN 407 Cb 0.53 -0.61 0.51 0.00 -1.54 0.00 0.00 39.78 38.66 3dxb n ASN 407 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3dxb n PRO 408 N 2.16 0.07 0.00 3.52 -0.04 -1.22 -4.11 135.00 135.37 3dxb n PRO 408 Ca 0.26 0.10 -0.18 0.00 -0.04 0.00 0.00 63.50 63.64 3dxb n PRO 408 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 3dxb n PRO 408 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3dxb h GLY 409 N 3.92 0.65 0.34 0.55 0.00 -1.93 -3.40 103.07 103.20 3dxb h GLY 409 Ca 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 47.33 46.26 3dxb h GLY 409 CO 0.00 0.93 -0.09 -0.84 0.00 0.00 0.00 176.54 176.54 3dxb h THR 410 N 0.19 1.57 -0.60 4.70 2.02 -1.93 -3.38 112.91 115.48 3dxb h THR 410 Ca -0.08 -1.78 0.07 0.00 0.77 0.00 0.00 66.41 65.39 3dxb h THR 410 Cb 1.41 2.73 -0.06 0.00 -1.74 0.00 0.00 68.15 70.50 3dxb h THR 410 CO 0.15 0.47 0.28 0.00 0.37 0.00 0.00 175.52 176.79 3dxb h ALA 411 N 0.27 0.78 -0.05 6.16 0.00 -1.82 -0.72 119.26 123.89 3dxb h ALA 411 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3dxb h ALA 411 Cb 0.82 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3dxb h ALA 411 CO 0.02 -0.10 0.06 -1.35 0.00 0.00 0.00 179.25 177.88 3dxb h PRO 412 N 0.51 0.00 0.00 0.00 0.11 -1.79 -0.87 132.00 129.96 3dxb h PRO 412 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3dxb h PRO 412 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3dxb h PRO 412 CO -0.23 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 178.43 3dxb h LYS 413 N 0.00 0.00 -0.22 1.05 1.57 -1.31 -2.93 116.57 114.73 3dxb h LYS 413 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3dxb h LYS 413 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3dxb h LYS 413 CO -0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 3dxb n TYR 414 N -2.72 0.29 -2.28 -1.35 4.02 -0.37 -4.99 117.16 109.76 3dxb n TYR 414 Ca 0.02 -0.30 -0.09 0.00 -0.01 0.00 0.00 57.90 57.52 3dxb n TYR 414 Cb 0.30 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 3dxb n TYR 414 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dxb n GLY 415 N 0.59 0.05 3.74 2.72 0.00 -1.04 -5.00 105.19 106.27 3dxb n GLY 415 Ca 0.10 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 3dxb n GLY 415 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dxb s ILE 416 N -2.53 3.12 0.00 -0.61 1.09 -0.99 -4.95 121.20 116.32 3dxb s ILE 416 Ca 0.03 0.95 0.00 0.00 -1.10 0.00 0.00 60.65 60.53 3dxb s ILE 416 Cb -0.02 -3.61 0.00 0.00 -1.06 0.00 0.00 42.46 37.78 3dxb s ILE 416 CO 0.04 0.15 0.00 0.54 -0.10 0.00 0.00 174.94 175.58 3dxb n ARG 417 N 2.37 0.00 -1.86 2.79 1.74 -1.26 -4.71 116.66 115.73 3dxb n ARG 417 Ca 0.05 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.82 3dxb n ARG 417 Cb 0.42 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.88 3dxb n ARG 417 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3dxb s GLY 418 N -1.73 1.66 0.05 -0.13 0.00 -1.26 -5.10 107.32 100.80 3dxb s GLY 418 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 44.72 44.69 3dxb s GLY 418 CO 0.00 0.18 -0.17 -0.26 0.00 0.00 0.00 173.10 172.85 3dxb s ILE 419 N -3.18 1.37 0.65 0.90 -4.36 -1.26 -4.21 121.20 111.10 3dxb s ILE 419 Ca 0.55 -1.12 -0.12 0.00 -0.26 0.00 0.00 60.65 59.71 3dxb s ILE 419 Cb -0.11 -1.22 -0.02 0.00 1.25 0.00 0.00 42.46 42.37 3dxb s ILE 419 CO 0.54 0.07 1.05 -2.16 0.24 0.00 0.00 174.94 174.68 3dxb s PRO 420 N -1.21 3.24 -0.07 0.37 0.04 -1.26 -4.73 135.00 131.37 3dxb s PRO 420 Ca 0.04 0.93 -0.03 0.00 0.04 0.00 0.00 61.00 61.98 3dxb s PRO 420 Cb -0.08 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.46 3dxb s PRO 420 CO 0.02 -0.86 0.06 0.99 0.04 0.00 0.00 177.00 177.25 3dxb s THR 421 N -2.98 -0.08 -0.11 1.26 2.01 -1.19 -0.66 115.64 113.89 3dxb s THR 421 Ca 0.58 0.30 -0.20 0.00 0.31 0.00 0.00 61.69 62.68 3dxb s THR 421 Cb -0.13 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 3dxb s THR 421 CO 0.51 0.10 0.55 -0.76 -0.69 0.00 0.00 174.62 174.32 3dxb s LEU 422 N 2.15 4.27 -0.06 4.42 1.43 0.11 -2.29 118.68 128.72 3dxb s LEU 422 Ca 0.04 0.91 0.04 0.00 -1.03 0.00 0.00 54.13 54.09 3dxb s LEU 422 Cb -0.13 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.26 3dxb s LEU 422 CO -0.04 -0.05 -0.16 -0.76 0.23 0.00 0.00 176.35 175.56 3dxb s LEU 423 N 0.79 2.61 -0.25 1.79 1.43 -0.54 -0.45 118.68 124.06 3dxb s LEU 423 Ca 0.29 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 53.06 3dxb s LEU 423 Cb -0.16 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3dxb s LEU 423 CO 0.12 0.32 0.06 -0.22 0.23 0.00 0.00 176.35 176.86 3dxb s LEU 424 N -0.56 3.40 -0.05 1.79 2.96 0.32 -0.25 118.68 126.29 3dxb s LEU 424 Ca 0.08 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 3dxb s LEU 424 Cb -0.11 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 3dxb s LEU 424 CO 0.01 -0.04 0.02 -0.36 -1.32 0.00 0.00 176.35 174.66 3dxb s PHE 425 N 1.60 3.17 -0.19 5.38 0.08 0.10 0.13 117.98 128.24 3dxb s PHE 425 Ca 0.06 0.18 -0.05 0.00 0.12 0.00 0.00 56.93 57.24 3dxb s PHE 425 Cb -0.15 -1.75 0.10 0.00 -0.57 0.00 0.00 43.02 40.64 3dxb s PHE 425 CO 0.03 0.49 0.34 0.21 -0.10 0.00 0.00 175.22 176.18 3dxb s LYS 426 N -1.19 0.26 -1.40 0.44 2.36 0.16 -0.87 119.74 119.50 3dxb s LYS 426 Ca 0.16 0.69 -0.09 0.00 -2.55 0.00 0.00 55.97 54.19 3dxb s LYS 426 Cb -0.11 -0.22 0.03 0.00 -1.05 0.00 0.00 37.83 36.48 3dxb s LYS 426 CO 0.06 -0.43 1.06 0.09 1.55 0.00 0.00 175.35 177.68 3dxb n ASN 427 N 5.36 -4.97 0.00 1.43 3.02 -1.26 -2.09 115.26 116.76 3dxb n ASN 427 Ca -0.06 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 3dxb n ASN 427 Cb 0.50 -4.56 0.00 0.00 -0.61 0.00 0.00 39.78 35.10 3dxb n ASN 427 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dxb n GLY 428 N -1.78 1.15 3.73 7.41 0.00 -1.22 -5.02 105.19 109.46 3dxb n GLY 428 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3dxb n GLY 428 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxb s GLU 429 N -0.07 3.01 -0.58 1.61 2.02 -0.89 -5.02 118.70 118.78 3dxb s GLU 429 Ca 0.00 -0.43 -0.26 0.00 0.02 0.00 0.00 54.97 54.30 3dxb s GLU 429 Cb 0.00 -2.83 0.04 0.00 0.10 0.00 0.00 34.13 31.44 3dxb s GLU 429 CO 0.00 0.68 1.08 0.08 0.02 0.00 0.00 175.26 177.13 3dxb s VAL 430 N -1.01 4.17 0.07 2.63 1.01 -1.26 -0.67 120.40 125.33 3dxb s VAL 430 Ca 0.17 0.56 -0.15 0.00 0.00 0.00 0.00 61.98 62.56 3dxb s VAL 430 Cb -0.12 -4.66 -0.23 0.00 0.00 0.00 0.00 36.38 31.37 3dxb s VAL 430 CO 0.07 -1.29 1.18 0.00 0.00 0.00 0.00 175.10 175.06 3dxb h ALA 431 N 9.48 0.12 -2.51 5.51 0.00 -0.66 -3.48 119.26 127.71 3dxb h ALA 431 Ca -0.26 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 53.94 3dxb h ALA 431 Cb 1.06 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 3dxb h ALA 431 CO 1.15 0.65 0.22 0.00 0.00 0.00 0.00 179.25 181.27 3dxb s ALA 432 N -3.32 -1.69 0.02 0.00 0.00 -1.19 -5.01 121.76 110.58 3dxb s ALA 432 Ca -0.10 0.89 0.06 0.00 0.00 0.00 0.00 51.96 52.80 3dxb s ALA 432 Cb 0.07 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 3dxb s ALA 432 CO 0.91 -0.59 -0.17 0.99 0.00 0.00 0.00 175.76 176.90 3dxb s THR 433 N -2.58 1.38 -0.10 0.00 2.01 -1.26 -0.52 115.64 114.57 3dxb s THR 433 Ca -0.04 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 60.96 3dxb s THR 433 Cb -0.01 -1.19 0.05 0.00 0.01 0.00 0.00 72.50 71.36 3dxb s THR 433 CO -0.03 0.20 0.09 -0.75 -0.69 0.00 0.00 174.62 173.45 3dxb s LYS 434 N -0.89 -0.00 -0.16 4.92 2.47 0.41 -5.01 119.74 121.48 3dxb s LYS 434 Ca 0.05 0.24 -0.12 0.00 -1.56 0.00 0.00 55.97 54.58 3dxb s LYS 434 Cb -0.08 -0.97 -0.05 0.00 -1.46 0.00 0.00 37.83 35.28 3dxb s LYS 434 CO 0.01 -0.46 0.24 0.08 0.16 0.00 0.00 175.35 175.38 3dxb s VAL 435 N 2.18 5.33 0.00 4.02 1.01 -1.26 0.05 120.40 131.74 3dxb s VAL 435 Ca 0.04 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3dxb s VAL 435 Cb -0.14 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3dxb s VAL 435 CO -0.06 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3dxb n GLY 436 N 3.21 -0.57 3.76 4.51 0.00 0.16 -4.97 105.19 111.29 3dxb n GLY 436 Ca -0.14 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 3dxb n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxb s ALA 437 N -1.77 2.44 0.24 4.61 0.00 -1.26 -4.82 121.76 121.20 3dxb s ALA 437 Ca 0.00 0.61 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 3dxb s ALA 437 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.80 3dxb s ALA 437 CO 0.00 -1.32 0.57 -0.48 0.00 0.00 0.00 175.76 174.54 3dxb s LEU 438 N -4.83 0.04 0.85 0.00 2.34 -1.26 -5.14 118.68 110.67 3dxb s LEU 438 Ca 0.68 -0.67 -0.12 0.00 0.06 0.00 0.00 54.13 54.08 3dxb s LEU 438 Cb -0.22 2.22 0.10 0.00 -0.56 0.00 0.00 46.19 47.73 3dxb s LEU 438 CO 0.41 -1.18 1.13 -0.94 -1.06 0.00 0.00 176.35 174.70 3dxb s SER 439 N -2.94 4.05 0.21 1.48 1.04 -1.26 -4.86 113.70 111.42 3dxb s SER 439 Ca 0.14 1.07 -0.11 0.00 0.48 0.00 0.00 55.95 57.54 3dxb s SER 439 Cb -0.03 -1.71 0.15 0.00 0.10 0.00 0.00 66.02 64.54 3dxb s SER 439 CO 0.04 -2.22 1.88 0.50 0.98 0.00 0.00 173.24 174.42 3dxb h LYS 440 N -1.27 0.98 -0.29 4.02 3.64 -1.99 -1.39 116.57 120.27 3dxb h LYS 440 Ca -0.49 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 58.74 3dxb h LYS 440 Cb 1.31 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3dxb h LYS 440 CO 0.62 0.65 -0.21 0.78 -2.27 0.00 0.00 179.45 179.02 3dxb h GLY 441 N 1.01 0.57 1.61 5.01 0.00 -1.98 -0.26 103.07 109.02 3dxb h GLY 441 Ca 0.27 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 3dxb h GLY 441 CO -0.06 0.41 -0.52 1.46 0.00 0.00 0.00 176.54 177.83 3dxb h GLN 442 N 0.47 0.42 -0.25 4.80 4.20 -1.87 -1.51 115.11 121.38 3dxb h GLN 442 Ca 0.07 -0.25 -0.20 0.00 0.06 0.00 0.00 58.65 58.34 3dxb h GLN 442 Cb 0.62 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3dxb h GLN 442 CO 0.04 0.84 -0.61 1.25 -0.67 0.00 0.00 178.83 179.69 3dxb h LEU 443 N 0.33 0.98 -1.00 1.46 5.85 -1.03 -1.88 115.31 120.01 3dxb h LEU 443 Ca 0.01 -0.56 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 3dxb h LEU 443 Cb 1.03 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3dxb h LEU 443 CO 0.09 1.36 0.33 0.11 -0.34 0.00 0.00 178.44 179.99 3dxb h LYS 444 N 0.64 1.04 -0.61 1.25 1.57 -1.01 0.70 116.57 120.16 3dxb h LYS 444 Ca -0.00 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3dxb h LYS 444 Cb 1.23 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 3dxb h LYS 444 CO 0.13 0.82 0.39 0.93 -0.57 0.00 0.00 179.45 181.15 3dxb h GLU 445 N 1.03 0.76 -0.04 3.15 5.08 -1.22 0.18 114.58 123.53 3dxb h GLU 445 Ca 0.25 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3dxb h GLU 445 Cb 0.13 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3dxb h GLU 445 CO -0.03 0.50 0.03 0.35 -1.00 0.00 0.00 179.01 178.86 3dxb h PHE 446 N 0.78 0.05 -0.13 4.33 3.04 -0.50 -1.48 116.94 123.04 3dxb h PHE 446 Ca 0.23 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.17 3dxb h PHE 446 Cb -0.04 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 3dxb h PHE 446 CO -0.04 0.03 0.03 -0.07 -2.02 0.00 0.00 178.31 176.25 3dxb h LEU 447 N 0.05 0.19 -1.41 0.59 -0.00 -0.76 -2.48 115.31 111.49 3dxb h LEU 447 Ca 0.01 -0.22 0.04 0.00 -0.00 0.00 0.00 57.88 57.71 3dxb h LEU 447 Cb -0.00 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 40.57 3dxb h LEU 447 CO -0.00 0.36 0.43 0.44 -0.00 0.00 0.00 178.44 179.67 3dxb h ASP 448 N 0.01 0.65 1.08 -0.43 3.45 -0.57 0.97 116.42 121.58 3dxb h ASP 448 Ca 0.04 -0.01 -0.10 0.00 0.43 0.00 0.00 57.03 57.39 3dxb h ASP 448 Cb 0.24 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 3dxb h ASP 448 CO -0.00 0.44 -0.48 0.00 -1.57 0.00 0.00 179.24 177.64 3dxb h ALA 449 N 1.63 0.83 0.00 3.45 0.00 -1.21 -3.37 119.26 120.58 3dxb h ALA 449 Ca 0.27 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3dxb h ALA 449 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dxb h ALA 449 CO -0.08 0.59 -0.62 0.09 0.00 0.00 0.00 179.25 179.24 3dxb n ASN 450 N -3.41 1.76 -4.31 0.00 3.02 -0.69 -4.92 115.26 106.71 3dxb n ASN 450 Ca 0.01 -0.35 -0.40 0.00 -0.03 0.00 0.00 54.58 53.80 3dxb n ASN 450 Cb 0.62 1.08 -0.11 0.00 -0.61 0.00 0.00 39.78 40.77 3dxb n ASN 450 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dxb s LEU 451 N -2.66 4.82 0.13 3.41 1.43 0.33 -5.02 118.68 121.12 3dxb s LEU 451 Ca 0.00 -1.25 -0.31 0.00 -1.03 0.00 0.00 54.13 51.54 3dxb s LEU 451 Cb 0.03 -1.97 -0.09 0.00 0.03 0.00 0.00 46.19 44.18 3dxb s LEU 451 CO 0.18 -0.44 1.58 0.00 0.23 0.00 0.00 176.35 177.90 3dxb s ALA 452 N 1.46 3.74 0.00 4.21 0.00 -1.26 -2.60 121.76 127.32 3dxb s ALA 452 Ca 0.02 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.28 3dxb s ALA 452 Cb -0.21 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.27 3dxb s ALA 452 CO 0.04 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.35 3dxb n GLY 453 N 3.81 1.02 0.25 0.00 0.00 -1.26 -4.94 105.19 104.07 3dxb n GLY 453 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 3dxb n GLY 453 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dxb h SER 454 N 0.00 0.48 0.30 1.61 4.64 -1.84 -3.09 113.55 115.65 3dxb h SER 454 Ca 0.00 -0.13 -0.28 0.00 -0.47 0.00 0.00 61.79 60.91 3dxb h SER 454 Cb 0.00 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 61.91 3dxb h SER 454 CO 0.00 0.65 -1.94 0.00 -0.87 0.00 0.00 176.83 174.67 3dxb n ALA 455 N -2.48 1.66 -3.64 5.18 0.00 -1.26 -4.97 120.51 114.99 3dxb n ALA 455 Ca 0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 53.44 52.44 3dxb n ALA 455 Cb 0.33 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 19.12 3dxb n ALA 455 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3dxb s MET 456 N -2.67 0.57 -0.03 0.00 -2.45 -1.17 -5.13 119.30 108.43 3dxb s MET 456 Ca -0.07 0.88 -0.30 0.00 -1.25 0.00 0.00 55.69 54.96 3dxb s MET 456 Cb 0.08 0.17 -0.05 0.00 1.25 0.00 0.00 34.83 36.28 3dxb s MET 456 CO 0.83 -0.10 1.44 -1.21 1.05 0.00 0.00 175.02 177.03 3dxb s GLU 457 N 1.12 4.25 0.38 4.11 0.41 -1.25 -4.03 118.70 123.69 3dxb s GLU 457 Ca -0.06 1.99 -0.12 0.00 -0.41 0.00 0.00 54.97 56.37 3dxb s GLU 457 Cb -0.05 -3.67 -0.07 0.00 -1.78 0.00 0.00 34.13 28.56 3dxb s GLU 457 CO -0.13 -0.65 0.76 0.45 -0.49 0.00 0.00 175.26 175.20 3dxb s SER 458 N 2.18 6.60 0.00 -0.19 0.15 -1.26 -4.80 113.70 116.38 3dxb s SER 458 Ca 0.65 1.18 0.23 0.00 0.70 0.00 0.00 55.95 58.71 3dxb s SER 458 Cb -0.31 -2.34 1.01 0.00 -1.71 0.00 0.00 66.02 62.67 3dxb s SER 458 CO 0.26 -0.34 1.74 0.35 1.20 0.00 0.00 173.24 176.45 3dxb n THR 459 N -1.02 0.40 -3.70 6.45 -2.24 -1.26 -4.59 114.28 108.33 3dxb n THR 459 Ca 0.03 0.10 -0.36 0.00 -2.27 0.00 0.00 64.05 61.55 3dxb n THR 459 Cb 0.54 -0.71 -0.09 0.00 -2.10 0.00 0.00 70.33 67.97 3dxb n THR 459 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3dxb s VAL 460 N -2.94 5.39 -0.10 2.28 1.01 -1.26 -0.94 120.40 123.84 3dxb s VAL 460 Ca 0.13 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 3dxb s VAL 460 Cb 0.15 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 3dxb s VAL 460 CO 0.41 0.39 0.01 -0.32 0.00 0.00 0.00 175.10 175.60 3dxb s MET 461 N 0.70 3.09 -0.16 2.72 1.75 0.99 -1.43 119.30 126.97 3dxb s MET 461 Ca 0.08 -0.38 -0.01 0.00 -1.25 0.00 0.00 55.69 54.12 3dxb s MET 461 Cb -0.12 -2.85 -0.01 0.00 2.84 0.00 0.00 34.83 34.68 3dxb s MET 461 CO 0.01 0.67 -0.10 0.54 -0.65 0.00 0.00 175.02 175.49 3dxb s VAL 462 N -0.79 3.18 -0.30 10.11 0.11 0.10 0.01 120.40 132.83 3dxb s VAL 462 Ca 0.12 -0.60 -0.11 0.00 -2.93 0.00 0.00 61.98 58.46 3dxb s VAL 462 Cb -0.12 -2.37 -0.04 0.00 -1.53 0.00 0.00 36.38 32.33 3dxb s VAL 462 CO 0.02 0.50 0.20 -0.76 -3.33 0.00 0.00 175.10 171.73 3dxb s LEU 463 N 0.66 4.13 -0.01 2.54 1.43 0.85 -1.73 118.68 126.54 3dxb s LEU 463 Ca -0.06 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3dxb s LEU 463 Cb -0.15 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 3dxb s LEU 463 CO 0.02 -0.10 -0.09 -0.13 0.23 0.00 0.00 176.35 176.28 3dxb s ARG 464 N 1.74 2.52 -0.78 1.70 0.52 0.10 -1.59 118.95 123.15 3dxb s ARG 464 Ca 0.07 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 3dxb s ARG 464 Cb -0.16 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 32.85 3dxb s ARG 464 CO 0.10 0.61 0.00 -1.71 0.02 0.00 0.00 175.30 174.32 3dxb n ASN 465 N 1.80 -3.59 0.08 0.23 5.15 -1.26 -0.50 115.26 117.17 3dxb n ASN 465 Ca -0.16 0.13 -0.20 0.00 -0.60 0.00 0.00 54.58 53.75 3dxb n ASN 465 Cb 0.52 -2.14 -0.15 0.00 -0.53 0.00 0.00 39.78 37.49 3dxb n ASN 465 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 3dxb h MET 466 N 0.00 0.33 -3.36 1.20 4.05 -1.85 -3.40 114.93 111.91 3dxb h MET 466 Ca -0.17 -0.57 -0.11 0.00 -0.28 0.00 0.00 59.70 58.57 3dxb h MET 466 Cb 0.71 0.21 -0.18 0.00 -0.80 0.00 0.00 31.60 31.54 3dxb h MET 466 CO 0.23 1.23 -0.34 0.54 0.23 0.00 0.00 176.91 178.80 3dxb s VAL 467 N -2.61 0.09 0.14 -5.77 0.11 -1.26 -4.93 120.40 106.17 3dxb s VAL 467 Ca -0.10 -0.71 -0.15 0.00 -2.93 0.00 0.00 61.98 58.09 3dxb s VAL 467 Cb 0.06 -0.78 -0.07 0.00 -1.53 0.00 0.00 36.38 34.06 3dxb s VAL 467 CO 0.87 -0.39 0.55 -0.62 -3.33 0.00 0.00 175.10 172.18 3dxb s ASP 468 N -1.80 6.86 0.45 3.54 2.15 -1.26 -4.41 116.67 122.20 3dxb s ASP 468 Ca -0.08 1.11 0.21 0.00 0.43 0.00 0.00 52.55 54.21 3dxb s ASP 468 Cb -0.03 -2.30 1.19 0.00 -0.30 0.00 0.00 42.92 41.48 3dxb s ASP 468 CO -0.01 0.13 1.88 -0.65 -0.17 0.00 0.00 175.17 176.34 3dxb h PRO 469 N 3.70 0.29 0.00 4.34 0.11 -1.95 0.22 132.00 138.71 3dxb h PRO 469 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dxb h PRO 469 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3dxb h PRO 469 CO 0.65 0.19 0.00 0.87 -0.21 0.00 0.00 178.00 179.50 3dxb h LYS 470 N 0.30 0.00 -0.00 1.05 6.56 -1.96 -2.90 116.57 119.61 3dxb h LYS 470 Ca 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.03 3dxb h LYS 470 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 3dxb h LYS 470 CO -0.13 0.00 -0.73 -0.25 -2.06 0.00 0.00 179.45 176.28 3dxb n ASP 471 N -2.45 1.03 -4.71 0.86 8.00 0.77 -4.94 116.55 115.11 3dxb n ASP 471 Ca 0.02 -0.88 -0.42 0.00 0.71 0.00 0.00 54.79 54.22 3dxb n ASP 471 Cb 0.24 0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 41.97 3dxb n ASP 471 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dxb s ILE 472 N -2.88 3.04 0.11 0.53 1.01 -1.10 -4.97 121.20 116.94 3dxb s ILE 472 Ca 0.12 0.71 0.02 0.00 0.00 0.00 0.00 60.65 61.50 3dxb s ILE 472 Cb 0.17 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 3dxb s ILE 472 CO 0.75 0.04 0.07 -0.90 0.00 0.00 0.00 174.94 174.91 3dxb n ASP 473 N 4.26 0.14 0.21 3.58 5.68 -1.26 -5.06 116.55 124.09 3dxb n ASP 473 Ca 0.13 -1.67 0.08 0.00 -0.50 0.00 0.00 54.79 52.82 3dxb n ASP 473 Cb 0.41 0.46 0.41 0.00 -1.14 0.00 0.00 41.12 41.26 3dxb n ASP 473 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3dxb h ASP 474 N 0.59 0.00 1.79 -1.12 3.32 -2.05 -3.14 116.42 115.82 3dxb h ASP 474 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3dxb h ASP 474 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3dxb h ASP 474 CO 0.12 0.30 -0.09 0.44 -1.72 0.00 0.00 179.24 178.29 3dxb h ASP 475 N 0.00 0.00 -0.33 6.45 3.32 -1.99 -3.39 116.42 120.49 3dxb h ASP 475 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3dxb h ASP 475 Cb 0.78 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 3dxb h ASP 475 CO 0.04 0.00 0.21 0.25 -1.72 0.00 0.00 179.24 178.02 3dxb h LEU 476 N 0.00 0.38 -0.69 1.55 5.85 -1.94 -1.36 115.31 119.09 3dxb h LEU 476 Ca 0.00 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3dxb h LEU 476 Cb 0.94 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 3dxb h LEU 476 CO 0.00 0.30 0.44 -0.08 -0.34 0.00 0.00 178.44 178.76 3dxb h GLU 477 N 0.43 0.86 -0.37 1.25 4.81 -1.79 -0.75 114.58 119.02 3dxb h GLU 477 Ca 0.12 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3dxb h GLU 477 Cb -0.02 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3dxb h GLU 477 CO -0.02 0.57 -0.15 0.78 -0.73 0.00 0.00 179.01 179.45 3dxb h GLY 478 N 0.88 0.73 1.01 1.92 0.00 -1.75 -1.90 103.07 103.96 3dxb h GLY 478 Ca 0.27 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 3dxb h GLY 478 CO -0.09 0.51 -0.12 0.83 0.00 0.00 0.00 176.54 177.67 3dxb h GLU 479 N 0.61 0.84 -0.49 4.80 5.08 -0.74 -0.74 114.58 123.93 3dxb h GLU 479 Ca 0.10 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 3dxb h GLU 479 Cb 0.61 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3dxb h GLU 479 CO 0.04 0.96 0.17 0.28 -1.00 0.00 0.00 179.01 179.46 3dxb h VAL 480 N 0.66 1.22 0.17 3.13 2.07 -1.11 -1.68 116.25 120.71 3dxb h VAL 480 Ca 0.11 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3dxb h VAL 480 Cb 0.66 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3dxb h VAL 480 CO 0.05 0.27 -0.11 0.74 0.02 0.00 0.00 177.57 178.53 3dxb h THR 481 N 0.66 0.76 -0.65 2.57 2.02 -1.21 -0.05 112.91 117.00 3dxb h THR 481 Ca 0.16 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.29 3dxb h THR 481 Cb 0.24 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3dxb h THR 481 CO -0.01 0.00 0.20 -0.08 0.37 0.00 0.00 175.52 176.00 3dxb h GLU 482 N -0.28 1.00 -0.16 6.66 4.57 -1.12 -0.50 114.58 124.75 3dxb h GLU 482 Ca -0.01 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 57.94 3dxb h GLU 482 Cb 0.24 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3dxb h GLU 482 CO 0.01 0.86 0.01 1.49 -1.18 0.00 0.00 179.01 180.20 3dxb h GLU 483 N 0.97 0.28 0.00 1.92 4.22 -1.15 -3.17 114.58 117.65 3dxb h GLU 483 Ca 0.21 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.57 3dxb h GLU 483 Cb 0.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3dxb h GLU 483 CO -0.01 0.48 0.00 0.00 -2.18 0.00 0.00 179.01 177.30 3dxb h GLY 485 N 3.90 0.00 1.40 0.00 0.00 -1.05 -1.94 103.07 105.38 3dxb h GLY 485 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3dxb h GLY 485 CO 0.00 0.00 0.25 0.50 0.00 0.00 0.00 176.54 177.29 3dxb h LYS 486 N 0.00 0.18 0.00 4.80 6.56 -1.70 -3.00 116.57 123.40 3dxb h LYS 486 Ca 0.03 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 3dxb h LYS 486 Cb 0.17 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 3dxb h LYS 486 CO -0.00 0.12 -1.38 1.19 -2.06 0.00 0.00 179.45 177.32 3dxb n PHE 487 N -4.47 0.38 -3.57 -1.35 3.72 -0.73 -5.06 117.46 106.38 3dxb n PHE 487 Ca 0.05 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 3dxb n PHE 487 Cb 0.30 -0.61 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 3dxb n PHE 487 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dxb n GLY 488 N 1.28 -1.47 3.68 1.37 0.00 -1.14 -4.63 105.19 104.28 3dxb n GLY 488 Ca -0.01 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 3dxb n GLY 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxb s ALA 489 N -1.08 3.56 -0.33 4.61 0.00 -1.26 -4.27 121.76 122.99 3dxb s ALA 489 Ca 0.00 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 3dxb s ALA 489 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3dxb s ALA 489 CO 0.00 -0.92 0.47 0.08 0.00 0.00 0.00 175.76 175.39 3dxb s VAL 490 N 2.61 5.07 -0.08 0.00 1.01 -1.26 -1.76 120.40 125.99 3dxb s VAL 490 Ca 0.59 0.39 -0.16 0.00 0.00 0.00 0.00 61.98 62.80 3dxb s VAL 490 Cb -0.26 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.11 3dxb s VAL 490 CO 0.22 -0.11 0.57 0.78 0.00 0.00 0.00 175.10 176.56 3dxb h ASN 491 N 8.37 -0.14 -4.32 3.32 4.21 -0.75 -3.48 115.58 122.79 3dxb h ASN 491 Ca -0.29 -0.32 -0.14 0.00 1.21 0.00 0.00 56.30 56.77 3dxb h ASN 491 Cb 1.13 0.04 -0.23 0.00 -1.12 0.00 0.00 38.32 38.14 3dxb h ASN 491 CO 0.74 0.46 -0.35 -0.13 -1.29 0.00 0.00 177.43 176.86 3dxb s ARG 492 N -2.67 0.46 -0.13 0.81 1.81 -1.17 -5.02 118.95 113.05 3dxb s ARG 492 Ca -0.10 0.15 0.02 0.00 -1.72 0.00 0.00 55.73 54.08 3dxb s ARG 492 Cb -0.00 0.21 0.01 0.00 -0.45 0.00 0.00 34.95 34.72 3dxb s ARG 492 CO 0.35 -0.09 -0.19 0.08 -0.68 0.00 0.00 175.30 174.77 3dxb s VAL 493 N -0.46 1.80 -0.22 3.52 1.01 -1.26 -1.33 120.40 123.46 3dxb s VAL 493 Ca -0.06 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3dxb s VAL 493 Cb -0.04 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 3dxb s VAL 493 CO 0.02 0.50 -0.06 -0.63 0.00 0.00 0.00 175.10 174.93 3dxb s ILE 494 N 0.95 3.17 -0.78 2.22 1.01 -0.15 -4.97 121.20 122.66 3dxb s ILE 494 Ca -0.05 -0.61 -0.21 0.00 0.00 0.00 0.00 60.65 59.78 3dxb s ILE 494 Cb -0.15 -2.46 0.09 0.00 0.01 0.00 0.00 42.46 39.96 3dxb s ILE 494 CO -0.03 0.41 1.05 -0.63 0.00 0.00 0.00 174.94 175.73 3dxb s ILE 495 N 1.44 4.47 -0.16 2.92 -1.09 -1.26 -0.99 121.20 126.54 3dxb s ILE 495 Ca 0.05 -0.88 -0.07 0.00 -2.23 0.00 0.00 60.65 57.52 3dxb s ILE 495 Cb -0.14 -4.74 -0.04 0.00 -1.58 0.00 0.00 42.46 35.96 3dxb s ILE 495 CO -0.04 -1.50 0.10 -0.47 -1.23 0.00 0.00 174.94 171.80 3dxb s TYR 496 N 3.53 3.40 -0.14 3.97 5.04 0.46 -4.98 117.35 128.63 3dxb s TYR 496 Ca 0.27 0.31 0.01 0.00 -2.44 0.00 0.00 57.07 55.22 3dxb s TYR 496 Cb -0.11 -2.03 -0.00 0.00 0.35 0.00 0.00 41.96 40.17 3dxb s TYR 496 CO 0.01 0.42 -0.16 -0.65 -1.34 0.00 0.00 175.55 173.83 3dxb s GLN 497 N -0.22 3.24 -0.05 4.97 -0.21 -1.26 -0.51 119.66 125.62 3dxb s GLN 497 Ca 0.09 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 54.74 3dxb s GLN 497 Cb -0.12 -2.59 0.01 0.00 1.00 0.00 0.00 33.01 31.32 3dxb s GLN 497 CO 0.01 0.09 -0.09 -2.00 -2.12 0.00 0.00 175.29 171.18 3dxb s GLU 498 N 0.64 1.27 -0.34 2.91 2.12 -0.16 -4.96 118.70 120.17 3dxb s GLU 498 Ca -0.08 -0.30 -0.28 0.00 0.36 0.00 0.00 54.97 54.67 3dxb s GLU 498 Cb -0.16 -1.12 -0.04 0.00 0.26 0.00 0.00 34.13 33.07 3dxb s GLU 498 CO 0.03 0.02 2.11 0.15 -0.54 0.00 0.00 175.26 177.02 3dxb s LYS 499 N 0.63 2.94 -1.08 4.30 1.02 -1.26 -0.36 119.74 125.92 3dxb s LYS 499 Ca -0.11 1.61 -0.12 0.00 0.02 0.00 0.00 55.97 57.37 3dxb s LYS 499 Cb -0.14 -4.37 -0.07 0.00 -0.52 0.00 0.00 37.83 32.73 3dxb s LYS 499 CO 0.02 -2.33 2.24 1.04 -0.92 0.00 0.00 175.35 175.40 3dxb n GLN 500 N 8.76 2.34 0.00 1.68 3.00 0.13 -3.78 117.38 129.51 3dxb n GLN 500 Ca 0.28 -1.83 0.00 0.00 -0.01 0.00 0.00 57.00 55.44 3dxb n GLN 500 Cb 0.48 -2.74 0.00 0.00 0.00 0.00 0.00 30.24 27.98 3dxb n GLN 500 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dxb n GLY 501 N 3.96 2.91 1.83 1.08 0.00 -1.26 -4.65 105.19 109.05 3dxb n GLY 501 Ca 0.53 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3dxb n GLY 501 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dxb n GLU 502 N 0.00 -4.40 -3.89 1.61 4.07 -1.25 -5.10 120.64 111.68 3dxb n GLU 502 Ca 0.00 3.19 -0.18 0.00 -0.06 0.00 0.00 57.16 60.11 3dxb n GLU 502 Cb 0.00 -3.62 -0.06 0.00 -0.06 0.00 0.00 31.44 27.70 3dxb n GLU 502 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3dxb n GLU 503 N 0.33 0.47 0.00 5.31 -0.58 -1.26 -5.16 120.64 119.76 3dxb n GLU 503 Ca 0.00 -2.78 0.00 0.00 -0.42 0.00 0.00 57.16 53.96 3dxb n GLU 503 Cb 0.00 1.92 0.00 0.00 -0.57 0.00 0.00 31.44 32.79 3dxb n GLU 503 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3dxb n GLU 504 N -0.63 0.00 -2.72 3.49 -0.00 -1.26 -4.87 120.64 114.66 3dxb n GLU 504 Ca 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.16 57.06 3dxb n GLU 504 Cb 0.50 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.96 3dxb n GLU 504 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3dxb n ASP 505 N 0.00 1.52 0.00 -1.84 9.92 -1.26 -5.14 116.55 119.75 3dxb n ASP 505 Ca 0.00 -2.80 0.00 0.00 -0.53 0.00 0.00 54.79 51.46 3dxb n ASP 505 Cb 0.00 -0.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.94 3dxb n ASP 505 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dxb n ALA 506 N -0.04 0.00 -1.56 2.24 0.00 -1.26 -4.81 120.51 115.08 3dxb n ALA 506 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 3dxb n ALA 506 Cb 0.79 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.34 3dxb n ALA 506 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3dxb s GLU 507 N -2.00 1.84 -0.23 0.00 -1.05 -1.26 -4.46 118.70 111.54 3dxb s GLU 507 Ca 0.00 0.53 -0.11 0.00 -0.15 0.00 0.00 54.97 55.24 3dxb s GLU 507 Cb 0.00 -1.90 -0.05 0.00 -0.44 0.00 0.00 34.13 31.74 3dxb s GLU 507 CO 0.00 -1.77 0.17 0.42 0.95 0.00 0.00 175.26 175.03 3dxb s ILE 508 N -3.20 5.36 0.04 1.83 -1.09 -1.26 0.20 121.20 123.09 3dxb s ILE 508 Ca 0.62 0.22 0.02 0.00 -2.23 0.00 0.00 60.65 59.27 3dxb s ILE 508 Cb -0.14 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 3dxb s ILE 508 CO 0.54 0.36 0.05 0.27 -1.23 0.00 0.00 174.94 174.94 3dxb s ILE 509 N 0.88 4.43 -0.23 2.92 -4.36 0.51 -4.64 121.20 120.72 3dxb s ILE 509 Ca 0.08 -0.67 -0.10 0.00 -0.26 0.00 0.00 60.65 59.70 3dxb s ILE 509 Cb -0.13 -3.07 -0.05 0.00 1.25 0.00 0.00 42.46 40.46 3dxb s ILE 509 CO 0.03 0.23 0.14 -0.69 0.24 0.00 0.00 174.94 174.90 3dxb s VAL 510 N -1.27 5.26 -0.19 8.37 1.01 -1.26 -0.99 120.40 131.34 3dxb s VAL 510 Ca 0.25 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 3dxb s VAL 510 Cb -0.12 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 3dxb s VAL 510 CO 0.17 0.36 -0.09 -0.54 0.00 0.00 0.00 175.10 175.01 3dxb s LYS 511 N 0.96 3.34 -0.42 2.72 1.02 0.33 -4.25 119.74 123.45 3dxb s LYS 511 Ca 0.07 -0.66 -0.14 0.00 0.02 0.00 0.00 55.97 55.26 3dxb s LYS 511 Cb -0.13 -2.84 0.04 0.00 -0.52 0.00 0.00 37.83 34.37 3dxb s LYS 511 CO 0.04 -0.07 0.30 0.42 -0.92 0.00 0.00 175.35 175.11 3dxb s ILE 512 N 1.10 5.00 -0.05 2.17 1.01 -0.62 -0.40 121.20 129.40 3dxb s ILE 512 Ca 0.01 -0.87 -0.21 0.00 0.00 0.00 0.00 60.65 59.57 3dxb s ILE 512 Cb -0.15 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3dxb s ILE 512 CO -0.02 -0.38 0.62 -0.36 0.00 0.00 0.00 174.94 174.80 3dxb s PHE 513 N 1.62 3.61 -0.21 3.97 0.08 -0.16 -0.11 117.98 126.77 3dxb s PHE 513 Ca 0.04 1.16 -0.00 0.00 0.12 0.00 0.00 56.93 58.25 3dxb s PHE 513 Cb -0.21 -2.68 0.06 0.00 -0.57 0.00 0.00 43.02 39.62 3dxb s PHE 513 CO 0.08 0.21 -0.03 0.08 -0.10 0.00 0.00 175.22 175.45 3dxb s VAL 514 N 0.37 1.22 -0.25 -0.44 1.01 0.10 -0.97 120.40 121.44 3dxb s VAL 514 Ca 0.33 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 3dxb s VAL 514 Cb -0.17 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 3dxb s VAL 514 CO 0.16 -0.08 0.24 -0.70 0.00 0.00 0.00 175.10 174.73 3dxb s GLU 515 N 1.55 4.04 0.52 2.72 2.12 -0.44 -0.01 118.70 129.21 3dxb s GLU 515 Ca -0.03 -0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.18 3dxb s GLU 515 Cb -0.18 -3.60 0.04 0.00 0.26 0.00 0.00 34.13 30.66 3dxb s GLU 515 CO -0.07 -0.09 0.73 -0.06 -0.54 0.00 0.00 175.26 175.23 3dxb s PHE 516 N 1.49 2.59 0.21 5.30 0.40 -0.12 -0.07 117.98 127.79 3dxb s PHE 516 Ca 0.10 -0.23 -0.02 0.00 -0.60 0.00 0.00 56.93 56.18 3dxb s PHE 516 Cb -0.15 -2.60 0.19 0.00 0.51 0.00 0.00 43.02 40.97 3dxb s PHE 516 CO 0.08 -0.82 1.57 0.66 0.70 0.00 0.00 175.22 177.41 3dxb h SER 517 N 0.22 0.61 -5.06 1.36 4.64 -1.65 -3.43 113.55 110.24 3dxb h SER 517 Ca -0.40 -0.28 -0.12 0.00 -0.47 0.00 0.00 61.79 60.52 3dxb h SER 517 Cb 1.29 -0.17 -0.18 0.00 -0.31 0.00 0.00 62.40 63.02 3dxb h SER 517 CO 0.48 0.97 -0.45 -0.51 -0.87 0.00 0.00 176.83 176.44 3dxb s ILE 518 N -4.20 0.11 0.51 0.95 2.07 -1.26 -5.02 121.20 114.36 3dxb s ILE 518 Ca -0.07 -0.91 0.18 0.00 -1.41 0.00 0.00 60.65 58.44 3dxb s ILE 518 Cb 0.12 -0.81 0.27 0.00 0.13 0.00 0.00 42.46 42.17 3dxb s ILE 518 CO 0.83 -0.50 2.13 0.00 -1.91 0.00 0.00 174.94 175.49 3dxb h ALA 519 N 3.69 1.83 -0.54 1.50 0.00 -1.87 -2.28 119.26 121.59 3dxb h ALA 519 Ca -0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3dxb h ALA 519 Cb 1.19 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3dxb h ALA 519 CO 0.47 0.05 0.27 0.66 0.00 0.00 0.00 179.25 180.70 3dxb h SER 520 N 0.00 0.68 -0.32 0.00 4.64 -1.95 -0.79 113.55 115.81 3dxb h SER 520 Ca -0.00 -0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 61.11 3dxb h SER 520 Cb 0.08 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3dxb h SER 520 CO 0.01 0.58 -0.38 -0.33 -0.87 0.00 0.00 176.83 175.83 3dxb h GLU 521 N 0.76 0.83 -0.91 4.77 5.08 -1.67 -2.30 114.58 121.14 3dxb h GLU 521 Ca 0.19 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3dxb h GLU 521 Cb 0.07 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3dxb h GLU 521 CO -0.03 1.10 0.56 1.15 -1.00 0.00 0.00 179.01 180.79 3dxb h THR 522 N 0.60 1.24 -0.41 1.13 2.02 -1.44 -1.51 112.91 114.54 3dxb h THR 522 Ca 0.04 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 3dxb h THR 522 Cb 0.98 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3dxb h THR 522 CO 0.09 0.25 0.15 -0.74 0.37 0.00 0.00 175.52 175.64 3dxb h HIS 523 N 1.24 0.64 -0.32 3.16 -0.00 -1.09 -1.30 115.15 117.49 3dxb h HIS 523 Ca 0.33 -0.06 0.04 0.00 -0.00 0.00 0.00 60.37 60.68 3dxb h HIS 523 Cb -0.08 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.10 3dxb h HIS 523 CO -0.00 0.58 0.10 0.87 -0.00 0.00 0.00 177.93 179.47 3dxb h LYS 524 N 0.52 0.22 0.01 5.26 1.57 -1.08 -1.91 116.57 121.16 3dxb h LYS 524 Ca 0.13 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3dxb h LYS 524 Cb 0.22 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3dxb h LYS 524 CO -0.01 0.15 -0.01 0.00 -0.57 0.00 0.00 179.45 179.01 3dxb h ALA 525 N 1.21 -0.02 -0.79 3.86 0.00 -1.14 -1.84 119.26 120.55 3dxb h ALA 525 Ca 0.15 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3dxb h ALA 525 Cb 0.13 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3dxb h ALA 525 CO -0.16 -0.48 0.50 0.82 0.00 0.00 0.00 179.25 179.93 3dxb h ILE 526 N -0.08 1.09 -0.54 0.00 2.04 -1.15 0.20 117.51 119.08 3dxb h ILE 526 Ca -0.00 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 3dxb h ILE 526 Cb 0.07 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 3dxb h ILE 526 CO 0.00 0.17 -0.04 1.56 0.00 0.00 0.00 178.15 179.84 3dxb h GLN 527 N 0.96 0.95 0.00 2.37 1.08 -1.24 -1.24 115.11 117.99 3dxb h GLN 527 Ca 0.33 -0.31 -0.16 0.00 -1.45 0.00 0.00 58.65 57.06 3dxb h GLN 527 Cb 0.06 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 3dxb h GLN 527 CO -0.13 0.97 -0.77 0.00 -0.95 0.00 0.00 178.83 177.95 3dxb h ALA 528 N 1.07 0.53 0.00 3.87 0.00 -0.84 -3.38 119.26 120.50 3dxb h ALA 528 Ca 0.15 -0.69 -0.25 0.00 0.00 0.00 0.00 54.91 54.12 3dxb h ALA 528 Cb 0.57 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3dxb h ALA 528 CO 0.03 0.93 -2.10 1.28 0.00 0.00 0.00 179.25 179.39 3dxb n LEU 529 N -3.27 0.00 -4.69 0.00 4.77 0.66 -4.81 117.00 109.67 3dxb n LEU 529 Ca 0.00 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.55 3dxb n LEU 529 Cb 0.84 0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 42.23 3dxb n LEU 529 CO 0.44 0.34 1.36 -3.20 -1.33 0.00 0.00 177.39 174.99 3dxb n ASN 530 N -2.54 3.71 0.00 -1.43 5.15 -0.47 -1.55 115.26 118.13 3dxb n ASN 530 Ca -0.23 1.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.79 3dxb n ASN 530 Cb 0.94 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.68 3dxb n ASN 530 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dxb n GLY 531 N 3.91 0.65 3.80 8.20 0.00 0.19 -4.91 105.19 117.02 3dxb n GLY 531 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3dxb n GLY 531 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dxb s ARG 532 N -0.26 4.28 -0.17 1.61 1.81 -0.59 -4.69 118.95 120.94 3dxb s ARG 532 Ca 0.00 1.25 -0.19 0.00 -1.72 0.00 0.00 55.73 55.07 3dxb s ARG 532 Cb 0.00 -2.39 -0.03 0.00 -0.45 0.00 0.00 34.95 32.07 3dxb s ARG 532 CO 0.00 0.00 0.53 -1.58 -0.68 0.00 0.00 175.30 173.57 3dxb s TRP 533 N -1.93 3.43 -0.22 -0.53 0.52 -1.26 -1.12 118.94 117.83 3dxb s TRP 533 Ca 0.59 0.85 0.00 0.00 0.02 0.00 0.00 56.10 57.56 3dxb s TRP 533 Cb -0.14 -2.65 0.06 0.00 -1.15 0.00 0.00 33.47 29.58 3dxb s TRP 533 CO 0.19 -0.01 -0.04 -0.06 0.02 0.00 0.00 176.95 177.04 3dxb s PHE 534 N 1.30 2.11 -1.44 -1.98 0.40 0.96 -4.87 117.98 114.46 3dxb s PHE 534 Ca 0.26 -1.53 -0.01 0.00 -0.60 0.00 0.00 56.93 55.05 3dxb s PHE 534 Cb -0.15 -1.47 0.00 0.00 0.51 0.00 0.00 43.02 41.91 3dxb s PHE 534 CO 0.10 -0.73 0.29 0.00 0.70 0.00 0.00 175.22 175.59 3dxb n ALA 535 N 4.75 -2.03 -0.65 5.36 0.00 -1.26 -1.58 120.51 125.10 3dxb n ALA 535 Ca -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3dxb n ALA 535 Cb 0.45 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3dxb n ALA 535 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxb n GLY 536 N -2.17 0.76 3.24 0.00 0.00 -1.26 -5.04 105.19 100.72 3dxb n GLY 536 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 3dxb n GLY 536 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dxb s ARG 537 N -0.35 2.91 -0.49 1.61 0.52 -0.61 -5.10 118.95 117.43 3dxb s ARG 537 Ca 0.00 -0.88 -0.21 0.00 -0.52 0.00 0.00 55.73 54.12 3dxb s ARG 537 Cb 0.00 -2.27 0.04 0.00 0.52 0.00 0.00 34.95 33.24 3dxb s ARG 537 CO 0.00 0.25 0.73 0.21 0.02 0.00 0.00 175.30 176.51 3dxb s LYS 538 N 0.18 3.25 0.27 3.54 2.20 -1.26 -0.03 119.74 127.89 3dxb s LYS 538 Ca -0.14 -0.49 -0.26 0.00 -0.36 0.00 0.00 55.97 54.71 3dxb s LYS 538 Cb -0.17 -4.03 -0.09 0.00 -1.51 0.00 0.00 37.83 32.04 3dxb s LYS 538 CO 0.07 -1.22 0.90 0.14 -0.36 0.00 0.00 175.35 174.88 3dxb s VAL 539 N 3.10 4.23 -0.32 4.02 -7.23 -0.28 -4.86 120.40 119.06 3dxb s VAL 539 Ca 0.23 1.83 -0.14 0.00 -1.81 0.00 0.00 61.98 62.09 3dxb s VAL 539 Cb -0.15 -4.11 -0.02 0.00 0.56 0.00 0.00 36.38 32.66 3dxb s VAL 539 CO 0.17 0.31 0.30 -0.69 -0.31 0.00 0.00 175.10 174.88 3dxb s VAL 540 N -1.41 5.22 -0.17 1.32 1.01 0.34 -0.64 120.40 126.07 3dxb s VAL 540 Ca 0.45 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 3dxb s VAL 540 Cb -0.21 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 3dxb s VAL 540 CO 0.26 0.02 -0.06 0.00 0.00 0.00 0.00 175.10 175.32 3dxb s ALA 541 N 1.91 2.86 0.00 5.51 0.00 -1.26 0.00 121.76 130.78 3dxb s ALA 541 Ca 0.10 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 51.01 3dxb s ALA 541 Cb -0.17 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.46 3dxb s ALA 541 CO 0.11 0.06 0.27 -2.00 0.00 0.00 0.00 175.76 174.20 3dxb s GLU 542 N 0.63 0.66 0.43 0.00 2.12 -0.71 -4.57 118.70 117.27 3dxb s GLU 542 Ca -0.04 -0.31 -0.24 0.00 0.36 0.00 0.00 54.97 54.74 3dxb s GLU 542 Cb -0.15 0.29 -0.08 0.00 0.26 0.00 0.00 34.13 34.45 3dxb s GLU 542 CO 0.02 -0.18 1.20 0.14 -0.54 0.00 0.00 175.26 175.91 3dxb s VAL 543 N -1.61 2.97 -0.06 3.70 -7.23 -1.26 0.03 120.40 116.94 3dxb s VAL 543 Ca -0.12 0.79 0.04 0.00 -1.81 0.00 0.00 61.98 60.88 3dxb s VAL 543 Cb -0.05 -3.43 -0.00 0.00 0.56 0.00 0.00 36.38 33.46 3dxb s VAL 543 CO 0.02 0.05 -0.19 -0.47 -0.31 0.00 0.00 175.10 174.19 3dxb s TYR 544 N -1.43 2.00 -0.02 2.82 5.04 -0.51 -4.72 117.35 120.53 3dxb s TYR 544 Ca 0.60 -0.66 -0.37 0.00 -2.44 0.00 0.00 57.07 54.20 3dxb s TYR 544 Cb -0.32 -1.35 -0.16 0.00 0.35 0.00 0.00 41.96 40.48 3dxb s TYR 544 CO 0.40 -0.24 1.51 -3.47 -1.34 0.00 0.00 175.55 172.40 3dxb n ASP 545 N 3.27 2.09 -0.05 4.32 2.03 -1.26 -4.40 116.55 122.55 3dxb n ASP 545 Ca -0.19 1.10 -0.12 0.00 0.52 0.00 0.00 54.79 56.10 3dxb n ASP 545 Cb 0.53 -1.21 0.01 0.00 -0.72 0.00 0.00 41.12 39.73 3dxb n ASP 545 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 3dxb h GLN 546 N 5.69 0.74 -0.60 -0.67 4.15 -1.93 -2.60 115.11 119.88 3dxb h GLN 546 Ca -0.47 -0.45 -0.09 0.00 0.77 0.00 0.00 58.65 58.41 3dxb h GLN 546 Cb 1.32 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.03 3dxb h GLN 546 CO 0.85 1.07 0.02 1.49 -1.93 0.00 0.00 178.83 180.33 3dxb h GLU 547 N 0.58 1.04 0.06 1.69 4.81 -1.99 0.66 114.58 121.43 3dxb h GLU 547 Ca 0.02 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3dxb h GLU 547 Cb 1.09 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 3dxb h GLU 547 CO 0.11 1.01 -0.19 0.00 -0.73 0.00 0.00 179.01 179.20 3dxb h ARG 548 N 0.96 -0.33 -0.53 1.92 3.08 -1.84 -2.38 114.38 115.26 3dxb h ARG 548 Ca 0.17 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3dxb h ARG 548 Cb 0.53 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 3dxb h ARG 548 CO 0.03 -0.22 0.33 0.35 -1.07 0.00 0.00 179.97 179.39 3dxb h PHE 549 N -0.34 0.68 -0.10 3.04 3.57 -1.12 0.28 116.94 122.96 3dxb h PHE 549 Ca 0.04 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3dxb h PHE 549 Cb 0.39 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3dxb h PHE 549 CO -0.21 0.46 -0.09 -0.44 -2.23 0.00 0.00 178.31 175.79 3dxb h ASP 550 N 0.71 0.13 -0.44 0.41 3.32 -0.84 -1.52 116.42 118.19 3dxb h ASP 550 Ca 0.19 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3dxb h ASP 550 Cb -0.04 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3dxb h ASP 550 CO -0.04 0.25 0.00 0.59 -1.72 0.00 0.00 179.24 178.32 3dxb n ASN 551 N -4.35 2.63 -1.66 6.45 3.02 -0.90 -4.93 115.26 115.52 3dxb n ASN 551 Ca -0.01 -2.08 -0.14 0.00 -0.03 0.00 0.00 54.58 52.32 3dxb n ASN 551 Cb 0.21 -0.35 -0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3dxb n ASN 551 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3dxb n SER 552 N 0.77 -4.38 -4.30 6.41 7.64 -0.57 -4.98 113.62 114.22 3dxb n SER 552 Ca 0.15 -0.03 -0.45 0.00 1.01 0.00 0.00 58.87 59.55 3dxb n SER 552 Cb 0.44 -3.51 -0.05 0.00 -1.01 0.00 0.00 64.21 60.08 3dxb n SER 552 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3dxb s ASP 553 N -2.40 6.19 -0.21 6.43 2.15 0.94 -4.89 116.67 124.89 3dxb s ASP 553 Ca 0.02 -1.96 0.16 0.00 0.43 0.00 0.00 52.55 51.19 3dxb s ASP 553 Cb -0.01 -2.18 0.66 0.00 -0.30 0.00 0.00 42.92 41.10 3dxb s ASP 553 CO 0.02 -0.78 1.57 0.18 -0.17 0.00 0.00 175.17 175.99 3dxb n LEU 554 N 4.98 4.72 0.08 -1.34 4.32 -1.26 -3.74 117.00 124.76 3dxb n LEU 554 Ca -0.09 -2.98 0.12 0.00 -0.02 0.00 0.00 56.01 53.05 3dxb n LEU 554 Cb 0.41 -0.61 0.28 0.00 -1.62 0.00 0.00 43.42 41.88 3dxb n LEU 554 CO 0.49 0.66 0.58 -1.54 -1.22 0.00 0.00 177.39 176.35 3dxb n SER 555 N -0.01 0.73 -0.58 -1.43 3.41 -1.26 -5.08 113.62 109.40 3dxb n SER 555 Ca 0.24 0.30 0.14 0.00 -0.26 0.00 0.00 58.87 59.29 3dxb n SER 555 Cb 1.03 -0.23 0.44 0.00 -0.26 0.00 0.00 64.21 65.18 3dxb n SER 555 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88