#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxb h LYS 347 N 0.00 0.00 -5.37 -1.24 1.57 -1.96 -3.44 116.57 106.13 3dxb h LYS 347 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 3dxb h LYS 347 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.18 3dxb h LYS 347 CO 0.00 0.00 0.01 0.42 -0.57 0.00 0.00 179.45 179.31 3dxb s ILE 348 N -3.14 5.06 0.34 1.86 1.01 -1.26 -4.46 121.20 120.61 3dxb s ILE 348 Ca 0.09 0.91 -0.28 0.00 0.00 0.00 0.00 60.65 61.38 3dxb s ILE 348 Cb 0.10 -3.84 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 3dxb s ILE 348 CO 0.61 0.07 1.21 -0.63 0.00 0.00 0.00 174.94 176.20 3dxb s ILE 349 N 2.34 3.06 -0.39 2.92 1.01 -0.93 -4.92 121.20 124.29 3dxb s ILE 349 Ca 0.22 1.01 -0.09 0.00 0.00 0.00 0.00 60.65 61.79 3dxb s ILE 349 Cb -0.16 -3.62 0.06 0.00 0.01 0.00 0.00 42.46 38.76 3dxb s ILE 349 CO 0.09 0.20 0.21 -1.00 0.00 0.00 0.00 174.94 174.44 3dxb s HIS 350 N -1.24 3.31 0.52 3.97 3.76 -1.26 -0.68 115.29 123.67 3dxb s HIS 350 Ca 0.50 -1.46 -0.17 0.00 -0.15 0.00 0.00 55.06 53.78 3dxb s HIS 350 Cb -0.35 -2.73 -0.08 0.00 1.11 0.00 0.00 32.58 30.53 3dxb s HIS 350 CO 0.45 -0.80 1.00 -0.51 -0.85 0.00 0.00 174.74 174.03 3dxb s LEU 351 N 1.43 3.65 0.38 0.89 1.43 0.12 -4.97 118.68 121.61 3dxb s LEU 351 Ca 0.02 1.65 0.08 0.00 -1.03 0.00 0.00 54.13 54.85 3dxb s LEU 351 Cb -0.22 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.41 3dxb s LEU 351 CO 0.03 -0.67 -0.03 0.42 0.23 0.00 0.00 176.35 176.32 3dxb s THR 352 N -2.50 2.17 0.25 5.49 -4.23 -1.26 -4.54 115.64 111.01 3dxb s THR 352 Ca 0.61 -2.08 -0.04 0.00 -1.18 0.00 0.00 61.69 59.00 3dxb s THR 352 Cb -0.11 -2.83 0.23 0.00 1.34 0.00 0.00 72.50 71.13 3dxb s THR 352 CO 0.29 -0.10 1.84 0.44 -0.54 0.00 0.00 174.62 176.55 3dxb h ASP 353 N 1.87 0.82 0.70 3.99 3.45 -1.92 -2.22 116.42 123.12 3dxb h ASP 353 Ca -0.43 0.03 -0.13 0.00 0.43 0.00 0.00 57.03 56.93 3dxb h ASP 353 Cb 1.25 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.86 3dxb h ASP 353 CO 0.75 0.50 -0.64 0.44 -1.57 0.00 0.00 179.24 178.72 3dxb h ASP 354 N 0.94 0.00 0.42 6.45 3.45 -2.01 -3.27 116.42 122.40 3dxb h ASP 354 Ca 0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.86 3dxb h ASP 354 Cb 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 3dxb h ASP 354 CO -0.20 0.64 -0.75 -1.54 -1.57 0.00 0.00 179.24 175.81 3dxb n SER 355 N -3.71 0.64 -0.21 6.45 3.41 -1.07 -4.47 113.62 114.65 3dxb n SER 355 Ca -0.01 -0.34 -0.00 0.00 -0.26 0.00 0.00 58.87 58.26 3dxb n SER 355 Cb 0.65 0.54 0.11 0.00 -0.26 0.00 0.00 64.21 65.24 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 0.46 0.03 7.33 3.57 -1.46 0.32 116.94 127.20 3dxb h PHE 356 Ca 0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3dxb h PHE 356 Cb 0.59 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3dxb h PHE 356 CO 0.00 0.15 -0.13 0.22 -2.23 0.00 0.00 178.31 176.31 3dxb h ASP 357 N 0.47 -0.37 0.00 0.41 1.82 -1.82 0.64 116.42 117.57 3dxb h ASP 357 Ca 0.31 0.05 -0.23 0.00 -0.39 0.00 0.00 57.03 56.77 3dxb h ASP 357 Cb 0.35 0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.52 3dxb h ASP 357 CO -0.28 -0.19 -0.86 0.00 -1.61 0.00 0.00 179.24 176.30 3dxb h THR 358 N -0.24 1.30 0.00 2.25 1.03 -1.74 -0.77 112.91 114.75 3dxb h THR 358 Ca 0.04 -2.12 -0.10 0.00 -0.01 0.00 0.00 66.41 64.22 3dxb h THR 358 Cb 0.28 2.15 -0.01 0.00 -1.07 0.00 0.00 68.15 69.49 3dxb h THR 358 CO -0.11 0.66 -0.50 0.44 -0.01 0.00 0.00 175.52 176.00 3dxb h ASP 359 N 0.43 0.00 0.00 0.00 3.32 -0.33 -3.31 116.42 116.54 3dxb h ASP 359 Ca -0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3dxb h ASP 359 Cb 1.49 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.04 3dxb h ASP 359 CO 0.17 0.50 -0.22 0.52 -1.72 0.00 0.00 179.24 178.49 3dxb n VAL 360 N -3.28 1.16 0.11 -1.35 0.31 0.21 -4.54 118.33 110.94 3dxb n VAL 360 Ca 0.01 0.34 -0.02 0.00 -0.01 0.00 0.00 64.34 64.66 3dxb n VAL 360 Cb 0.70 -1.66 0.19 0.00 -0.91 0.00 0.00 33.84 32.16 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 -0.11 0.17 -3.12 7.52 3.38 -1.24 -2.88 115.31 119.03 3dxb h LEU 361 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3dxb h LEU 361 Cb 0.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3dxb h LEU 361 CO -0.00 0.66 0.00 0.29 0.09 0.00 0.00 178.44 179.47 3dxb n LYS 362 N -3.93 3.18 -2.77 1.13 5.02 -0.36 -2.88 118.16 117.54 3dxb n LYS 362 Ca -0.02 -2.60 -0.33 0.00 -2.02 0.00 0.00 58.31 53.34 3dxb n LYS 362 Cb 0.55 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.99 3.07 -0.15 7.82 0.00 -1.09 -4.96 121.76 124.47 3dxb s ALA 363 Ca 0.38 0.32 -0.21 0.00 0.00 0.00 0.00 51.96 52.45 3dxb s ALA 363 Cb 0.27 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 3dxb s ALA 363 CO 0.15 0.08 0.63 -0.51 0.00 0.00 0.00 175.76 176.11 3dxb s ASP 364 N -2.36 6.78 0.00 0.00 1.01 -1.26 -4.48 116.67 116.36 3dxb s ASP 364 Ca 0.61 0.94 0.00 0.00 0.71 0.00 0.00 52.55 54.81 3dxb s ASP 364 Cb -0.09 -2.36 0.00 0.00 1.01 0.00 0.00 42.92 41.48 3dxb s ASP 364 CO 0.17 -0.18 0.00 0.61 0.21 0.00 0.00 175.17 175.97 3dxb n GLY 365 N 3.49 0.10 3.72 0.21 0.00 -1.26 -4.94 105.19 106.51 3dxb n GLY 365 Ca -0.02 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.42 3.41 -0.21 4.61 0.00 -1.26 -4.37 121.76 122.53 3dxb s ALA 366 Ca 0.00 0.89 -0.00 0.00 0.00 0.00 0.00 51.96 52.85 3dxb s ALA 366 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.71 3dxb s ALA 366 CO 0.00 -0.41 -0.14 0.42 0.00 0.00 0.00 175.76 175.63 3dxb s ILE 367 N 0.67 2.44 -0.39 0.00 -1.09 0.71 -1.03 121.20 122.51 3dxb s ILE 367 Ca 0.57 -0.98 -0.20 0.00 -2.23 0.00 0.00 60.65 57.81 3dxb s ILE 367 Cb -0.31 -2.14 0.01 0.00 -1.58 0.00 0.00 42.46 38.44 3dxb s ILE 367 CO 0.32 0.38 0.60 -0.22 -1.23 0.00 0.00 174.94 174.78 3dxb s LEU 368 N 1.30 4.42 -0.26 2.97 2.96 0.03 -0.11 118.68 129.98 3dxb s LEU 368 Ca 0.02 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 53.68 3dxb s LEU 368 Cb -0.15 -2.69 -0.05 0.00 0.50 0.00 0.00 46.19 43.81 3dxb s LEU 368 CO -0.09 -0.64 0.17 -0.69 -1.32 0.00 0.00 176.35 173.78 3dxb s VAL 369 N 2.64 5.30 -0.37 1.68 1.01 0.13 -0.71 120.40 130.08 3dxb s VAL 369 Ca 0.21 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 3dxb s VAL 369 Cb -0.15 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.75 3dxb s VAL 369 CO 0.16 0.30 0.24 -0.62 0.00 0.00 0.00 175.10 175.19 3dxb s ASP 370 N 1.37 5.91 -0.28 3.32 3.68 0.13 -1.59 116.67 129.21 3dxb s ASP 370 Ca 0.07 -0.80 -0.22 0.00 2.13 0.00 0.00 52.55 53.73 3dxb s ASP 370 Cb -0.15 -2.09 -0.01 0.00 -1.45 0.00 0.00 42.92 39.22 3dxb s ASP 370 CO 0.07 -0.36 0.70 -0.36 0.13 0.00 0.00 175.17 175.35 3dxb s PHE 371 N 1.64 3.24 0.34 -5.34 0.40 -0.91 -1.03 117.98 116.32 3dxb s PHE 371 Ca 0.04 0.79 -0.00 0.00 -0.60 0.00 0.00 56.93 57.15 3dxb s PHE 371 Cb -0.19 -3.02 0.00 0.00 0.51 0.00 0.00 43.02 40.33 3dxb s PHE 371 CO 0.09 -0.45 0.44 -2.67 0.70 0.00 0.00 175.22 173.33 3dxb n TRP 372 N 5.94 -1.32 -3.46 0.36 4.27 -0.88 -3.01 117.44 119.36 3dxb n TRP 372 Ca 0.01 -2.34 -0.14 0.00 -3.89 0.00 0.00 57.50 51.15 3dxb n TRP 372 Cb 0.48 0.49 -0.03 0.00 -1.36 0.00 0.00 31.31 30.90 3dxb n TRP 372 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3dxb s ALA 373 N -2.83 -1.63 0.27 -1.67 0.00 -1.26 -1.17 121.76 113.48 3dxb s ALA 373 Ca 0.30 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 3dxb s ALA 373 Cb -0.01 0.63 0.37 0.00 0.00 0.00 0.00 23.12 24.11 3dxb s ALA 373 CO 0.21 -0.65 1.75 0.93 0.00 0.00 0.00 175.76 178.01 3dxb h GLU 374 N 2.31 0.70 -0.00 0.00 4.39 -2.01 -2.52 114.58 117.44 3dxb h GLU 374 Ca -0.32 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3dxb h GLU 374 Cb 1.26 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3dxb h GLU 374 CO 0.39 0.76 -0.02 -2.67 -1.16 0.00 0.00 179.01 176.31 3dxb n TRP 375 N -4.20 0.00 -2.41 4.33 4.27 -1.26 -4.81 117.44 113.37 3dxb n TRP 375 Ca 0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.20 3dxb n TRP 375 Cb 0.33 -0.40 -0.02 0.00 -1.36 0.00 0.00 31.31 29.85 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 11.64 -1.24 1.85 0.00 0.00 -1.88 -2.69 103.07 110.75 3dxb h GLY 377 Ca -0.26 0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.56 3dxb h GLY 377 CO 1.07 -0.44 0.06 -0.56 0.00 0.00 0.00 176.54 176.67 3dxb h PRO 378 N -1.16 0.00 -0.30 4.80 0.13 -1.92 -1.92 132.00 131.63 3dxb h PRO 378 Ca -0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 3dxb h PRO 378 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 3dxb h PRO 378 CO 0.16 0.00 0.09 0.00 -0.23 0.00 0.00 178.00 178.02 3dxb h LYS 380 N 0.33 0.68 -0.67 0.00 1.79 -1.08 -2.25 116.57 115.37 3dxb h LYS 380 Ca 0.10 -0.10 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 3dxb h LYS 380 Cb 0.24 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 3dxb h LYS 380 CO -0.00 0.58 0.20 1.98 -1.08 0.00 0.00 179.45 181.12 3dxb h MET 381 N 0.68 1.05 -0.00 3.15 4.05 -1.09 -3.01 114.93 119.75 3dxb h MET 381 Ca 0.16 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 3dxb h MET 381 Cb 0.16 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 3dxb h MET 381 CO -0.01 0.91 -0.29 0.44 0.23 0.00 0.00 176.91 178.19 3dxb n ILE 382 N -4.32 0.00 -0.06 1.77 -5.35 -0.88 -4.30 119.36 106.22 3dxb n ILE 382 Ca 0.05 -0.05 -0.08 0.00 -0.27 0.00 0.00 62.75 62.40 3dxb n ILE 382 Cb 0.23 0.14 -0.01 0.00 -1.74 0.00 0.00 39.64 38.25 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 3.32 0.22 -0.18 -1.28 0.00 -1.27 0.20 119.26 120.27 3dxb h ALA 383 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3dxb h ALA 383 Cb 0.47 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3dxb h ALA 383 CO 0.00 -0.42 -0.14 -1.00 0.00 0.00 0.00 179.25 177.68 3dxb h PRO 384 N 0.07 0.29 -0.62 0.00 0.13 -1.75 -1.80 132.00 128.33 3dxb h PRO 384 Ca 0.12 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 65.08 3dxb h PRO 384 Cb 0.15 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 3dxb h PRO 384 CO -0.20 0.44 0.02 0.82 -0.23 0.00 0.00 178.00 178.84 3dxb h ILE 385 N 0.27 1.27 -0.46 -3.56 2.04 -1.66 -2.77 117.51 112.65 3dxb h ILE 385 Ca 0.05 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 3dxb h ILE 385 Cb 0.42 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3dxb h ILE 385 CO 0.03 0.42 0.16 -0.07 0.00 0.00 0.00 178.15 178.69 3dxb h LEU 386 N 0.98 0.60 -0.59 1.44 4.07 -0.15 -2.11 115.31 119.55 3dxb h LEU 386 Ca 0.18 -0.07 -0.08 0.00 0.08 0.00 0.00 57.88 57.98 3dxb h LEU 386 Cb 0.54 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 3dxb h LEU 386 CO 0.03 0.56 0.05 0.44 -1.08 0.00 0.00 178.44 178.44 3dxb h ASP 387 N 0.65 0.97 -0.30 -0.43 3.45 -1.15 -1.13 116.42 118.48 3dxb h ASP 387 Ca 0.16 -0.28 -0.03 0.00 0.43 0.00 0.00 57.03 57.30 3dxb h ASP 387 Cb 0.16 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 3dxb h ASP 387 CO -0.01 1.01 0.06 -0.33 -1.57 0.00 0.00 179.24 178.40 3dxb h GLU 388 N 0.90 0.49 -0.40 3.56 5.08 -1.28 -2.64 114.58 120.28 3dxb h GLU 388 Ca 0.17 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3dxb h GLU 388 Cb 0.48 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3dxb h GLU 388 CO 0.02 0.58 0.27 0.82 -1.00 0.00 0.00 179.01 179.70 3dxb h ILE 389 N 0.32 1.10 -0.97 3.13 1.08 -1.32 0.49 117.51 121.34 3dxb h ILE 389 Ca 0.09 -0.19 0.12 0.00 -0.39 0.00 0.00 64.86 64.49 3dxb h ILE 389 Cb 0.32 0.51 -0.08 0.00 -3.07 0.00 0.00 36.82 34.50 3dxb h ILE 389 CO 0.00 0.10 0.62 0.00 -0.69 0.00 0.00 178.15 178.18 3dxb h ALA 390 N 1.15 1.58 0.00 1.87 0.00 -1.17 0.37 119.26 123.07 3dxb h ALA 390 Ca 0.15 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3dxb h ALA 390 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3dxb h ALA 390 CO -0.03 0.19 -0.10 -0.44 0.00 0.00 0.00 179.25 178.86 3dxb h ASP 391 N 0.94 0.08 0.13 0.00 3.32 -1.07 -3.24 116.42 116.59 3dxb h ASP 391 Ca 0.47 -0.83 -0.11 0.00 0.02 0.00 0.00 57.03 56.58 3dxb h ASP 391 Cb 0.49 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3dxb h ASP 391 CO -0.23 0.90 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.46 3dxb h GLU 392 N -0.72 0.35 -0.70 3.56 5.08 0.27 -3.03 114.58 119.39 3dxb h GLU 392 Ca -0.01 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.04 3dxb h GLU 392 Cb 0.92 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.08 3dxb h GLU 392 CO 0.02 0.69 0.18 0.66 -1.00 0.00 0.00 179.01 179.56 3dxb n TYR 393 N -4.04 2.35 -1.84 4.33 4.02 0.13 -4.99 117.16 117.12 3dxb n TYR 393 Ca -0.01 -1.03 -0.42 0.00 -0.01 0.00 0.00 57.90 56.43 3dxb n TYR 393 Cb 0.48 -0.63 -0.03 0.00 -0.02 0.00 0.00 39.34 39.14 3dxb n TYR 393 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3dxb s GLN 394 N -2.90 4.18 0.00 -0.72 0.74 -1.15 -1.30 119.66 118.51 3dxb s GLN 394 Ca 0.55 2.46 0.00 0.00 0.05 0.00 0.00 55.36 58.42 3dxb s GLN 394 Cb 0.43 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 31.33 3dxb s GLN 394 CO 0.14 -0.69 0.00 0.41 -0.55 0.00 0.00 175.29 174.61 3dxb n GLY 395 N 3.90 1.09 0.00 2.59 0.00 -1.26 -4.79 105.19 106.72 3dxb n GLY 395 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 1.00 -3.65 1.61 5.02 -0.73 -5.07 118.16 114.32 3dxb n LYS 396 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 3dxb n LYS 396 Cb 0.00 -0.92 -0.08 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.69 -0.29 -0.18 -0.35 2.96 -0.42 -4.12 118.68 113.59 3dxb s LEU 397 Ca 0.00 1.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.96 3dxb s LEU 397 Cb 0.00 2.09 -0.02 0.00 0.50 0.00 0.00 46.19 48.76 3dxb s LEU 397 CO 0.00 -0.28 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.82 3dxb s THR 398 N 0.02 3.62 -0.16 3.68 2.01 -0.20 -4.52 115.64 120.09 3dxb s THR 398 Ca -0.02 -0.43 -0.18 0.00 0.31 0.00 0.00 61.69 61.36 3dxb s THR 398 Cb -0.04 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 3dxb s THR 398 CO 0.02 0.46 0.50 -0.69 -0.69 0.00 0.00 174.62 174.22 3dxb s VAL 399 N 0.86 5.15 -0.00 3.82 1.01 -1.26 -0.79 120.40 129.18 3dxb s VAL 399 Ca -0.01 0.95 0.03 0.00 0.00 0.00 0.00 61.98 62.95 3dxb s VAL 399 Cb -0.15 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3dxb s VAL 399 CO 0.01 0.25 -0.08 0.00 0.00 0.00 0.00 175.10 175.28 3dxb s ALA 400 N 1.11 0.70 -0.08 5.51 0.00 0.12 -2.20 121.76 126.92 3dxb s ALA 400 Ca 0.25 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.86 3dxb s ALA 400 Cb -0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3dxb s ALA 400 CO 0.10 0.16 -0.18 0.15 0.00 0.00 0.00 175.76 175.99 3dxb s LYS 401 N -0.27 2.82 -0.25 0.00 1.02 0.14 0.19 119.74 123.39 3dxb s LYS 401 Ca 0.03 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.27 3dxb s LYS 401 Cb -0.04 -2.38 0.05 0.00 -0.52 0.00 0.00 37.83 34.94 3dxb s LYS 401 CO -0.00 0.40 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.53 3dxb s LEU 402 N -0.16 3.20 -0.24 3.17 2.96 -0.20 0.15 118.68 127.57 3dxb s LEU 402 Ca -0.02 -1.22 -0.29 0.00 -0.22 0.00 0.00 54.13 52.38 3dxb s LEU 402 Cb -0.14 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 3dxb s LEU 402 CO 0.04 -0.15 1.40 0.21 -1.32 0.00 0.00 176.35 176.52 3dxb s ASN 403 N 1.15 6.65 0.34 3.68 3.84 -1.26 -2.07 114.94 127.28 3dxb s ASN 403 Ca -0.06 1.47 0.26 0.00 0.21 0.00 0.00 52.86 54.75 3dxb s ASN 403 Cb -0.18 -2.54 0.77 0.00 -0.55 0.00 0.00 41.25 38.75 3dxb s ASN 403 CO -0.06 -1.05 1.74 0.16 -2.79 0.00 0.00 177.10 175.10 3dxb h ILE 404 N 5.89 0.00 -0.02 -5.21 3.07 -1.34 0.36 117.51 120.27 3dxb h ILE 404 Ca -0.29 -0.61 -0.02 0.00 1.55 0.00 0.00 64.86 65.49 3dxb h ILE 404 Cb 1.12 1.57 0.00 0.00 -0.27 0.00 0.00 36.82 39.24 3dxb h ILE 404 CO 1.01 0.00 -0.07 0.44 -1.05 0.00 0.00 178.15 178.47 3dxb h ASP 405 N 0.00 0.10 1.48 2.16 3.45 -1.92 -2.99 116.42 118.70 3dxb h ASP 405 Ca 0.00 -0.65 -0.04 0.00 0.43 0.00 0.00 57.03 56.77 3dxb h ASP 405 Cb 0.73 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.47 3dxb h ASP 405 CO 0.00 0.73 -0.20 1.56 -1.57 0.00 0.00 179.24 179.76 3dxb h GLN 406 N -0.53 0.00 -2.64 3.56 4.20 -1.93 -3.37 115.11 114.40 3dxb h GLN 406 Ca -0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 3dxb h GLN 406 Cb 0.72 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.11 3dxb h GLN 406 CO 0.02 0.20 -0.83 -0.80 -0.67 0.00 0.00 178.83 176.74 3dxb s ASN 407 N -6.21 2.68 0.00 1.46 -0.87 0.11 -4.94 114.94 107.18 3dxb s ASN 407 Ca 0.04 -3.25 0.29 0.00 -1.57 0.00 0.00 52.86 48.36 3dxb s ASN 407 Cb 0.07 -0.85 1.46 0.00 -0.02 0.00 0.00 41.25 41.92 3dxb s ASN 407 CO 0.67 -0.15 2.00 -0.81 -2.57 0.00 0.00 177.10 176.23 3dxb n PRO 408 N 2.66 0.43 0.06 -0.60 -0.04 -1.13 -4.19 135.00 132.18 3dxb n PRO 408 Ca 0.25 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.52 3dxb n PRO 408 Cb 0.43 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 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 4.74 0.41 0.21 0.55 0.00 -1.93 -3.41 103.07 103.63 3dxb h GLY 409 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 47.33 46.22 3dxb h GLY 409 CO 0.00 0.87 -0.62 -0.84 0.00 0.00 0.00 176.54 175.95 3dxb h THR 410 N -0.24 1.45 -0.88 4.70 2.02 -1.93 -3.37 112.91 114.66 3dxb h THR 410 Ca -0.15 -2.36 0.15 0.00 0.77 0.00 0.00 66.41 64.83 3dxb h THR 410 Cb 1.68 3.02 -0.10 0.00 -1.74 0.00 0.00 68.15 71.01 3dxb h THR 410 CO 0.17 0.58 0.46 0.00 0.37 0.00 0.00 175.52 177.10 3dxb h ALA 411 N -0.09 1.34 0.00 6.16 0.00 -1.83 -0.75 119.26 124.08 3dxb h ALA 411 Ca -0.14 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dxb h ALA 411 Cb 1.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3dxb h ALA 411 CO -0.01 -0.08 -0.02 -1.35 0.00 0.00 0.00 179.25 177.79 3dxb h PRO 412 N 0.64 0.00 0.00 0.00 0.11 -1.81 -1.39 132.00 129.56 3dxb h PRO 412 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3dxb h PRO 412 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3dxb h PRO 412 CO -0.37 0.02 0.00 0.87 -0.21 0.00 0.00 178.00 178.31 3dxb h LYS 413 N 0.00 0.00 -0.34 1.05 1.57 -1.32 -2.55 116.57 114.98 3dxb h LYS 413 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dxb h LYS 413 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 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 0.45 -2.87 -1.35 4.02 -0.59 -4.99 117.16 109.11 3dxb n TYR 414 Ca 0.01 -0.44 -0.18 0.00 -0.01 0.00 0.00 57.90 57.28 3dxb n TYR 414 Cb 0.26 -0.02 0.03 0.00 -0.02 0.00 0.00 39.34 39.59 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 0.63 -0.29 3.75 2.72 0.00 -0.96 -4.98 105.19 106.06 3dxb n GLY 415 Ca 0.12 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.06 3.59 0.00 -0.61 1.09 -0.81 -4.97 121.20 116.43 3dxb s ILE 416 Ca 0.25 1.44 0.00 0.00 -1.10 0.00 0.00 60.65 61.24 3dxb s ILE 416 Cb -0.11 -3.92 0.00 0.00 -1.06 0.00 0.00 42.46 37.37 3dxb s ILE 416 CO 0.30 0.28 0.00 0.54 -0.10 0.00 0.00 174.94 175.97 3dxb n ARG 417 N 1.92 0.00 -1.84 2.79 1.74 -1.26 -4.71 116.66 115.30 3dxb n ARG 417 Ca 0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.80 3dxb n ARG 417 Cb 0.45 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.94 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 -1.15 1.63 0.06 -0.13 0.00 -1.26 -5.10 107.32 101.38 3dxb s GLY 418 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 44.72 44.45 3dxb s GLY 418 CO 0.00 0.06 -0.13 -0.26 0.00 0.00 0.00 173.10 172.77 3dxb s ILE 419 N -3.33 1.04 0.64 0.90 -4.36 -1.26 -4.21 121.20 110.62 3dxb s ILE 419 Ca 0.58 -1.18 -0.11 0.00 -0.26 0.00 0.00 60.65 59.68 3dxb s ILE 419 Cb -0.11 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.57 3dxb s ILE 419 CO 0.52 -0.17 1.04 -2.16 0.24 0.00 0.00 174.94 174.41 3dxb s PRO 420 N -1.53 3.39 -0.02 0.37 0.04 -1.26 -4.71 135.00 131.29 3dxb s PRO 420 Ca -0.02 0.84 0.01 0.00 0.04 0.00 0.00 61.00 61.87 3dxb s PRO 420 Cb -0.09 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.41 3dxb s PRO 420 CO 0.02 -0.74 -0.02 0.95 0.04 0.00 0.00 177.00 177.25 3dxb s THR 421 N -3.09 0.27 -0.23 1.26 -4.23 -1.16 -0.56 115.64 107.89 3dxb s THR 421 Ca 0.56 -0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.89 3dxb s THR 421 Cb -0.12 -0.28 -0.05 0.00 1.34 0.00 0.00 72.50 73.39 3dxb s THR 421 CO 0.53 0.12 0.22 -0.76 -0.54 0.00 0.00 174.62 174.19 3dxb s LEU 422 N 0.39 4.13 -0.14 4.79 1.43 0.14 -2.13 118.68 127.28 3dxb s LEU 422 Ca -0.04 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.24 3dxb s LEU 422 Cb -0.07 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 3dxb s LEU 422 CO -0.01 0.03 0.01 -0.76 0.23 0.00 0.00 176.35 175.85 3dxb s LEU 423 N 1.11 3.55 -0.24 1.79 1.43 -0.62 -0.17 118.68 125.53 3dxb s LEU 423 Ca 0.11 0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.14 3dxb s LEU 423 Cb -0.14 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3dxb s LEU 423 CO 0.05 0.23 0.12 -0.22 0.23 0.00 0.00 176.35 176.77 3dxb s LEU 424 N -0.00 3.84 -0.08 1.79 2.96 -0.24 0.20 118.68 127.14 3dxb s LEU 424 Ca 0.03 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.92 3dxb s LEU 424 Cb -0.13 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3dxb s LEU 424 CO 0.02 0.03 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.68 3dxb s PHE 425 N 1.27 3.03 -0.08 5.38 0.08 0.84 -0.29 117.98 128.21 3dxb s PHE 425 Ca 0.06 0.09 -0.00 0.00 0.12 0.00 0.00 56.93 57.19 3dxb s PHE 425 Cb -0.14 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.58 3dxb s PHE 425 CO 0.05 0.38 -0.04 0.15 -0.10 0.00 0.00 175.22 175.67 3dxb s LYS 426 N -0.82 1.01 -1.42 0.44 1.02 -0.25 -0.21 119.74 119.51 3dxb s LYS 426 Ca 0.12 -0.07 -0.00 0.00 0.02 0.00 0.00 55.97 56.04 3dxb s LYS 426 Cb -0.11 -1.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.02 3dxb s LYS 426 CO 0.02 -0.24 0.38 0.09 -0.92 0.00 0.00 175.35 174.68 3dxb n ASN 427 N 4.85 -0.22 0.00 2.83 3.02 -1.26 -1.20 115.26 123.27 3dxb n ASN 427 Ca -0.12 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 3dxb n ASN 427 Cb 0.50 -2.92 0.00 0.00 -0.61 0.00 0.00 39.78 36.75 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 -2.03 0.60 3.67 7.41 0.00 -1.14 -5.00 105.19 108.70 3dxb n GLY 428 Ca -0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.36 3.06 -0.64 1.61 2.02 -0.34 -5.03 118.70 119.02 3dxb s GLU 429 Ca 0.00 -0.41 -0.28 0.00 0.02 0.00 0.00 54.97 54.30 3dxb s GLU 429 Cb 0.00 -2.81 0.02 0.00 0.10 0.00 0.00 34.13 31.44 3dxb s GLU 429 CO 0.00 0.66 1.35 0.08 0.02 0.00 0.00 175.26 177.36 3dxb s VAL 430 N -0.76 3.78 0.11 2.63 1.01 -1.26 -1.09 120.40 124.82 3dxb s VAL 430 Ca 0.12 0.59 -0.11 0.00 0.00 0.00 0.00 61.98 62.58 3dxb s VAL 430 Cb -0.12 -4.65 -0.17 0.00 0.00 0.00 0.00 36.38 31.45 3dxb s VAL 430 CO 0.02 -1.46 1.30 0.00 0.00 0.00 0.00 175.10 174.96 3dxb h ALA 431 N 10.61 0.31 -2.79 5.51 0.00 -0.98 -3.48 119.26 128.43 3dxb h ALA 431 Ca -0.27 -0.62 0.06 0.00 0.00 0.00 0.00 54.91 54.08 3dxb h ALA 431 Cb 1.07 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 3dxb h ALA 431 CO 1.22 0.70 0.30 0.00 0.00 0.00 0.00 179.25 181.47 3dxb s ALA 432 N -3.64 -1.52 0.03 0.00 0.00 -1.18 -5.01 121.76 110.44 3dxb s ALA 432 Ca -0.09 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.14 3dxb s ALA 432 Cb 0.08 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 3dxb s ALA 432 CO 0.90 -0.88 -0.06 0.95 0.00 0.00 0.00 175.76 176.67 3dxb s THR 433 N -3.64 0.41 -0.05 0.00 -4.23 -1.26 -1.08 115.64 105.79 3dxb s THR 433 Ca 0.06 -1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 59.54 3dxb s THR 433 Cb -0.03 -0.50 0.03 0.00 1.34 0.00 0.00 72.50 73.35 3dxb s THR 433 CO -0.04 -0.41 0.08 -0.75 -0.54 0.00 0.00 174.62 172.96 3dxb s LYS 434 N -1.53 -0.04 -0.26 3.99 2.47 0.77 -4.99 119.74 120.15 3dxb s LYS 434 Ca -0.12 0.37 -0.10 0.00 -1.56 0.00 0.00 55.97 54.57 3dxb s LYS 434 Cb -0.10 -0.40 -0.04 0.00 -1.46 0.00 0.00 37.83 35.83 3dxb s LYS 434 CO -0.00 -0.29 0.15 0.08 0.16 0.00 0.00 175.35 175.45 3dxb s VAL 435 N 1.92 5.05 0.00 4.02 1.01 -1.26 0.23 120.40 131.37 3dxb s VAL 435 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3dxb s VAL 435 Cb -0.12 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3dxb s VAL 435 CO -0.04 0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3dxb n GLY 436 N 4.82 0.15 3.74 4.51 0.00 0.27 -5.01 105.19 113.67 3dxb n GLY 436 Ca -0.15 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.82 2.11 0.00 4.61 0.00 -1.26 -4.82 121.76 120.57 3dxb s ALA 437 Ca 0.00 0.55 -0.28 0.00 0.00 0.00 0.00 51.96 52.23 3dxb s ALA 437 Cb 0.00 -3.37 0.10 0.00 0.00 0.00 0.00 23.12 19.85 3dxb s ALA 437 CO 0.00 -1.89 0.82 -0.48 0.00 0.00 0.00 175.76 174.21 3dxb s LEU 438 N -5.63 -0.44 0.98 0.00 2.34 -1.26 -5.14 118.68 109.53 3dxb s LEU 438 Ca 0.67 0.14 -0.12 0.00 0.06 0.00 0.00 54.13 54.87 3dxb s LEU 438 Cb -0.22 2.17 0.18 0.00 -0.56 0.00 0.00 46.19 47.76 3dxb s LEU 438 CO 0.50 -0.65 1.09 -0.94 -1.06 0.00 0.00 176.35 175.30 3dxb s SER 439 N -2.19 2.75 0.19 1.48 1.04 -1.26 -4.80 113.70 110.91 3dxb s SER 439 Ca 0.01 1.25 -0.11 0.00 0.48 0.00 0.00 55.95 57.58 3dxb s SER 439 Cb -0.01 -1.92 0.11 0.00 0.10 0.00 0.00 66.02 64.31 3dxb s SER 439 CO -0.06 -3.06 1.81 0.50 0.98 0.00 0.00 173.24 173.41 3dxb h LYS 440 N -1.84 0.93 -0.70 4.02 3.64 -1.99 -1.18 116.57 119.44 3dxb h LYS 440 Ca -0.54 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 58.72 3dxb h LYS 440 Cb 1.32 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 3dxb h LYS 440 CO 0.57 0.69 0.34 0.78 -2.27 0.00 0.00 179.45 179.55 3dxb h GLY 441 N 0.91 1.08 1.02 5.01 0.00 -1.99 -1.13 103.07 107.98 3dxb h GLY 441 Ca 0.24 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 3dxb h GLY 441 CO -0.04 0.51 -0.04 1.46 0.00 0.00 0.00 176.54 178.43 3dxb h GLN 442 N 0.98 0.90 -0.52 4.80 4.20 -1.87 -1.63 115.11 121.97 3dxb h GLN 442 Ca 0.24 -0.31 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 3dxb h GLN 442 Cb 0.12 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3dxb h GLN 442 CO -0.03 0.95 0.01 1.25 -0.67 0.00 0.00 178.83 180.34 3dxb h LEU 443 N 0.76 0.89 -0.82 1.46 5.85 -1.07 -1.14 115.31 121.23 3dxb h LEU 443 Ca 0.14 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 3dxb h LEU 443 Cb 0.57 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3dxb h LEU 443 CO 0.03 0.97 0.24 0.11 -0.34 0.00 0.00 178.44 179.46 3dxb h LYS 444 N 0.78 1.11 -0.42 1.25 1.57 -1.16 -0.65 116.57 119.06 3dxb h LYS 444 Ca 0.15 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 3dxb h LYS 444 Cb 0.51 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3dxb h LYS 444 CO 0.02 0.94 -0.13 1.49 -0.57 0.00 0.00 179.45 181.20 3dxb h GLU 445 N 1.08 0.77 -0.44 3.15 4.81 -1.16 0.11 114.58 122.90 3dxb h GLU 445 Ca 0.24 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3dxb h GLU 445 Cb 0.28 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3dxb h GLU 445 CO -0.01 0.87 0.11 0.35 -0.73 0.00 0.00 179.01 179.60 3dxb h PHE 446 N 0.69 0.73 0.06 0.92 3.04 -0.86 -2.52 116.94 118.99 3dxb h PHE 446 Ca 0.11 -0.08 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 3dxb h PHE 446 Cb 0.62 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.92 3dxb h PHE 446 CO 0.03 0.68 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.90 3dxb h LEU 447 N 0.57 -0.07 -0.96 0.59 4.07 -0.98 -2.91 115.31 115.64 3dxb h LEU 447 Ca 0.14 -0.50 0.05 0.00 0.08 0.00 0.00 57.88 57.65 3dxb h LEU 447 Cb 0.31 0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.01 3dxb h LEU 447 CO 0.00 0.49 0.62 0.44 -1.08 0.00 0.00 178.44 178.91 3dxb h ASP 448 N -0.67 1.01 0.19 -0.43 3.32 -1.05 0.45 116.42 119.24 3dxb h ASP 448 Ca -0.01 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 3dxb h ASP 448 Cb 0.56 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3dxb h ASP 448 CO 0.01 0.67 -0.38 0.00 -1.72 0.00 0.00 179.24 177.82 3dxb h ALA 449 N 1.41 1.11 0.00 3.45 0.00 -1.55 -3.27 119.26 120.42 3dxb h ALA 449 Ca 0.39 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dxb h ALA 449 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3dxb h ALA 449 CO -0.14 0.58 -1.17 0.09 0.00 0.00 0.00 179.25 178.60 3dxb n ASN 450 N -4.05 0.70 0.22 0.00 3.02 -0.75 -3.90 115.26 110.51 3dxb n ASN 450 Ca -0.01 -0.62 0.11 0.00 -0.03 0.00 0.00 54.58 54.03 3dxb n ASN 450 Cb 0.46 1.11 0.34 0.00 -0.61 0.00 0.00 39.78 41.09 3dxb n ASN 450 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3dxb h LEU 451 N 0.00 0.00 0.00 3.41 3.38 -0.18 -3.46 115.31 118.46 3dxb h LEU 451 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dxb h LEU 451 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3dxb h LEU 451 CO 0.00 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3dxb n ALA 452 N -2.15 0.00 -1.02 1.53 0.00 -1.23 -5.01 120.51 112.62 3dxb n ALA 452 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3dxb n ALA 452 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3dxb n ALA 452 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxb n GLY 453 N 0.00 1.90 3.76 0.00 0.00 -1.26 -5.04 105.19 104.55 3dxb n GLY 453 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3dxb n GLY 453 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dxb s SER 454 N -1.00 7.36 0.44 1.61 1.04 -1.26 -4.93 113.70 116.96 3dxb s SER 454 Ca 0.00 2.04 0.24 0.00 0.48 0.00 0.00 55.95 58.71 3dxb s SER 454 Cb 0.00 -2.61 0.88 0.00 0.10 0.00 0.00 66.02 64.39 3dxb s SER 454 CO 0.00 -0.06 1.80 0.00 0.98 0.00 0.00 173.24 175.97 3dxb h ALA 455 N 3.65 0.99 -2.48 5.32 0.00 -2.02 -3.45 119.26 121.27 3dxb h ALA 455 Ca -0.46 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 3dxb h ALA 455 Cb 1.20 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.73 3dxb h ALA 455 CO 0.66 0.26 -0.11 1.41 0.00 0.00 0.00 179.25 181.47 3dxb s MET 456 N -3.58 0.61 -0.29 0.00 1.75 -1.26 -5.13 119.30 111.41 3dxb s MET 456 Ca 0.01 0.71 -0.26 0.00 -1.25 0.00 0.00 55.69 54.90 3dxb s MET 456 Cb 0.10 0.30 0.01 0.00 2.84 0.00 0.00 34.83 38.07 3dxb s MET 456 CO 0.63 -0.08 0.92 -1.21 -0.65 0.00 0.00 175.02 174.64 3dxb s GLU 457 N 0.25 4.07 0.60 4.11 0.41 -1.26 -5.01 118.70 121.86 3dxb s GLU 457 Ca -0.00 0.90 -0.15 0.00 -0.41 0.00 0.00 54.97 55.31 3dxb s GLU 457 Cb -0.04 -3.71 -0.04 0.00 -1.78 0.00 0.00 34.13 28.57 3dxb s GLU 457 CO 0.01 -0.72 1.04 0.45 -0.49 0.00 0.00 175.26 175.55 3dxb s SER 458 N 1.54 5.91 0.01 -0.19 0.15 -1.26 -4.75 113.70 115.11 3dxb s SER 458 Ca 0.38 1.70 0.26 0.00 0.70 0.00 0.00 55.95 58.99 3dxb s SER 458 Cb -0.14 -2.52 0.62 0.00 -1.71 0.00 0.00 66.02 62.27 3dxb s SER 458 CO 0.12 -1.08 1.49 0.35 1.20 0.00 0.00 173.24 175.33 3dxb n THR 459 N -2.20 0.03 -3.49 6.45 -2.24 -1.26 -4.57 114.28 107.00 3dxb n THR 459 Ca 0.08 -0.02 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 3dxb n THR 459 Cb 0.53 0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.77 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 -3.01 5.25 -0.15 2.28 1.01 -1.26 -0.92 120.40 123.59 3dxb s VAL 460 Ca 0.11 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 62.51 3dxb s VAL 460 Cb 0.17 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3dxb s VAL 460 CO 0.67 0.25 0.00 -0.32 0.00 0.00 0.00 175.10 175.71 3dxb s MET 461 N 1.51 3.66 -0.17 2.72 1.75 0.37 -0.79 119.30 128.35 3dxb s MET 461 Ca 0.13 -0.44 -0.06 0.00 -1.25 0.00 0.00 55.69 54.07 3dxb s MET 461 Cb -0.15 -2.99 -0.04 0.00 2.84 0.00 0.00 34.83 34.49 3dxb s MET 461 CO 0.08 0.33 0.03 0.54 -0.65 0.00 0.00 175.02 175.35 3dxb s VAL 462 N 0.15 4.52 -0.31 10.11 0.11 0.14 -0.16 120.40 134.96 3dxb s VAL 462 Ca 0.01 -0.13 -0.11 0.00 -2.93 0.00 0.00 61.98 58.82 3dxb s VAL 462 Cb -0.13 -3.02 -0.02 0.00 -1.53 0.00 0.00 36.38 31.68 3dxb s VAL 462 CO 0.02 0.47 0.18 -0.76 -3.33 0.00 0.00 175.10 171.68 3dxb s LEU 463 N 0.35 4.15 0.07 2.54 1.43 0.98 -2.23 118.68 125.98 3dxb s LEU 463 Ca 0.01 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3dxb s LEU 463 Cb -0.13 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3dxb s LEU 463 CO 0.01 -0.16 -0.00 -0.13 0.23 0.00 0.00 176.35 176.29 3dxb s ARG 464 N 1.67 2.58 -0.63 1.70 0.52 0.11 -1.64 118.95 123.26 3dxb s ARG 464 Ca 0.06 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 3dxb s ARG 464 Cb -0.17 -2.56 0.00 0.00 0.52 0.00 0.00 34.95 32.75 3dxb s ARG 464 CO 0.08 0.56 0.00 -1.71 0.02 0.00 0.00 175.30 174.25 3dxb n ASN 465 N 0.74 -4.85 0.00 0.23 5.15 -1.26 -1.77 115.26 113.50 3dxb n ASN 465 Ca -0.12 0.15 -0.18 0.00 -0.60 0.00 0.00 54.58 53.84 3dxb n ASN 465 Cb 0.52 -2.88 -0.10 0.00 -0.53 0.00 0.00 39.78 36.79 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 0.19 0.52 -3.91 1.20 4.05 -1.82 -3.44 114.93 111.73 3dxb h MET 466 Ca -0.12 -0.52 -0.21 0.00 -0.28 0.00 0.00 59.70 58.58 3dxb h MET 466 Cb 0.77 0.14 -0.24 0.00 -0.80 0.00 0.00 31.60 31.46 3dxb h MET 466 CO 0.18 1.15 -0.71 0.08 0.23 0.00 0.00 176.91 177.84 3dxb s VAL 467 N -3.36 0.09 0.45 -5.77 1.01 -1.26 -4.93 120.40 106.62 3dxb s VAL 467 Ca -0.12 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 3dxb s VAL 467 Cb 0.05 -0.17 -0.09 0.00 0.00 0.00 0.00 36.38 36.16 3dxb s VAL 467 CO 0.85 -0.26 1.01 -1.81 0.00 0.00 0.00 175.10 174.88 3dxb s ASP 468 N -0.80 6.62 0.51 3.32 1.01 -1.26 -4.29 116.67 121.78 3dxb s ASP 468 Ca -0.08 1.85 0.15 0.00 0.71 0.00 0.00 52.55 55.18 3dxb s ASP 468 Cb -0.05 -2.56 1.23 0.00 1.01 0.00 0.00 42.92 42.55 3dxb s ASP 468 CO -0.00 -0.58 2.14 -0.65 0.21 0.00 0.00 175.17 176.28 3dxb h PRO 469 N 1.83 0.06 0.00 8.23 0.11 -1.93 -1.43 132.00 138.86 3dxb h PRO 469 Ca -0.49 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3dxb h PRO 469 Cb 1.20 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dxb h PRO 469 CO 0.60 0.04 -0.15 0.87 -0.21 0.00 0.00 178.00 179.15 3dxb h LYS 470 N 0.06 0.00 0.00 1.05 6.56 -1.96 -3.11 116.57 119.17 3dxb h LYS 470 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 3dxb h LYS 470 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 3dxb h LYS 470 CO -0.00 0.15 -0.69 -0.44 -2.06 0.00 0.00 179.45 176.40 3dxb h ASP 471 N 0.00 0.00 -2.73 0.86 3.32 -1.65 -3.46 116.42 112.76 3dxb h ASP 471 Ca -0.00 -0.18 -0.53 0.00 0.02 0.00 0.00 57.03 56.34 3dxb h ASP 471 Cb 0.52 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.11 3dxb h ASP 471 CO 0.02 0.09 0.96 -0.63 -1.72 0.00 0.00 179.24 177.96 3dxb s ILE 472 N -3.20 2.61 0.26 0.35 1.01 -1.18 -5.01 121.20 116.03 3dxb s ILE 472 Ca 0.05 0.33 0.02 0.00 0.00 0.00 0.00 60.65 61.05 3dxb s ILE 472 Cb 0.13 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 3dxb s ILE 472 CO 0.74 0.02 0.08 -0.90 0.00 0.00 0.00 174.94 174.87 3dxb n ASP 473 N 4.58 1.34 0.26 3.58 5.68 -1.26 -5.04 116.55 125.69 3dxb n ASP 473 Ca 0.15 -2.33 0.13 0.00 -0.50 0.00 0.00 54.79 52.24 3dxb n ASP 473 Cb 0.38 0.58 0.72 0.00 -1.14 0.00 0.00 41.12 41.67 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 0.96 0.00 0.65 -1.12 3.32 -2.04 -3.00 116.42 115.19 3dxb h ASP 474 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3dxb h ASP 474 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3dxb h ASP 474 CO 0.32 0.12 -0.48 0.47 -1.72 0.00 0.00 179.24 177.95 3dxb n ASP 475 N -3.57 0.50 -0.09 6.45 8.00 -1.26 -4.36 116.55 122.22 3dxb n ASP 475 Ca -0.02 -0.07 -0.09 0.00 0.71 0.00 0.00 54.79 55.33 3dxb n ASP 475 Cb 0.25 0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.48 3dxb n ASP 475 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3dxb h LEU 476 N 0.00 0.35 -0.11 0.64 5.85 -1.93 -0.78 115.31 119.32 3dxb h LEU 476 Ca 0.00 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3dxb h LEU 476 Cb 0.56 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 3dxb h LEU 476 CO 0.00 0.25 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.09 3dxb h GLU 477 N 0.41 -0.23 -0.76 1.25 4.81 -1.80 0.18 114.58 118.44 3dxb h GLU 477 Ca 0.11 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 3dxb h GLU 477 Cb -0.05 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 3dxb h GLU 477 CO -0.03 -0.15 0.46 0.78 -0.73 0.00 0.00 179.01 179.35 3dxb h GLY 478 N -0.24 1.13 0.98 1.92 0.00 -1.76 -0.72 103.07 104.38 3dxb h GLY 478 Ca 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3dxb h GLY 478 CO -0.25 0.25 0.26 0.83 0.00 0.00 0.00 176.54 177.62 3dxb h GLU 479 N 0.87 0.77 -0.43 4.80 5.08 -0.68 -0.80 114.58 124.19 3dxb h GLU 479 Ca 0.33 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3dxb h GLU 479 Cb 0.12 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3dxb h GLU 479 CO -0.15 0.63 0.13 0.28 -1.00 0.00 0.00 179.01 178.90 3dxb h VAL 480 N 0.71 1.22 -0.52 3.13 2.07 -0.55 -1.20 116.25 121.12 3dxb h VAL 480 Ca 0.18 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 3dxb h VAL 480 Cb 0.11 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3dxb h VAL 480 CO -0.02 0.26 0.05 0.71 0.02 0.00 0.00 177.57 178.58 3dxb h THR 481 N 0.55 1.24 0.59 2.57 1.35 -0.98 -1.21 112.91 117.02 3dxb h THR 481 Ca 0.14 -0.96 -0.03 0.00 -0.55 0.00 0.00 66.41 65.01 3dxb h THR 481 Cb 0.27 0.79 0.01 0.00 -1.73 0.00 0.00 68.15 67.48 3dxb h THR 481 CO -0.00 0.35 -0.28 -0.33 -0.25 0.00 0.00 175.52 175.00 3dxb h GLU 482 N 0.79 -0.77 0.13 4.72 3.07 -0.98 -2.15 114.58 119.40 3dxb h GLU 482 Ca 0.16 0.05 0.01 0.00 -0.50 0.00 0.00 59.36 59.09 3dxb h GLU 482 Cb 0.41 0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 3dxb h GLU 482 CO 0.01 -0.49 -0.21 0.93 -1.40 0.00 0.00 179.01 177.85 3dxb h GLU 483 N -0.85 -0.40 0.00 2.33 4.39 -1.11 -2.74 114.58 116.20 3dxb h GLU 483 Ca -0.08 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3dxb h GLU 483 Cb 0.63 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3dxb h GLU 483 CO 0.13 -0.26 0.00 0.00 -1.16 0.00 0.00 179.01 177.72 3dxb h GLY 485 N 1.73 0.00 2.00 0.00 0.00 -1.06 -1.64 103.07 104.10 3dxb h GLY 485 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dxb h GLY 485 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.04 3dxb h LYS 486 N 0.00 0.00 0.00 4.80 1.57 -1.51 -3.19 116.57 118.24 3dxb h LYS 486 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dxb h LYS 486 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3dxb h LYS 486 CO 0.00 0.00 -0.95 1.19 -0.57 0.00 0.00 179.45 179.12 3dxb n PHE 487 N -2.92 0.00 -0.70 -1.35 3.72 -0.62 -5.09 117.46 110.50 3dxb n PHE 487 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3dxb n PHE 487 Cb 0.28 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 1.42 -0.78 3.63 1.37 0.00 -1.21 -4.68 105.19 104.94 3dxb n GLY 488 Ca 0.02 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.35 3.31 -0.14 4.61 0.00 -1.26 -4.19 121.76 122.74 3dxb s ALA 489 Ca 0.00 0.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.91 3dxb s ALA 489 Cb 0.00 -3.81 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 3dxb s ALA 489 CO 0.00 -1.87 0.56 0.54 0.00 0.00 0.00 175.76 174.99 3dxb s VAL 490 N 4.64 5.11 -0.10 0.00 0.11 -1.26 -0.96 120.40 127.94 3dxb s VAL 490 Ca 0.60 1.10 -0.25 0.00 -2.93 0.00 0.00 61.98 60.49 3dxb s VAL 490 Cb -0.18 -3.89 -0.28 0.00 -1.53 0.00 0.00 36.38 30.49 3dxb s VAL 490 CO 0.25 0.23 0.81 0.78 -3.33 0.00 0.00 175.10 173.84 3dxb h ASN 491 N 7.06 0.23 -5.01 3.54 4.21 0.72 -3.47 115.58 122.86 3dxb h ASN 491 Ca -0.37 -0.96 -0.08 0.00 1.21 0.00 0.00 56.30 56.09 3dxb h ASN 491 Cb 1.17 -0.07 -0.19 0.00 -1.12 0.00 0.00 38.32 38.11 3dxb h ASN 491 CO 0.76 1.21 -0.05 -0.60 -1.29 0.00 0.00 177.43 177.46 3dxb s ARG 492 N -2.33 0.89 -0.05 0.81 3.52 -1.12 -5.01 118.95 115.66 3dxb s ARG 492 Ca -0.17 -0.08 0.04 0.00 -0.13 0.00 0.00 55.73 55.39 3dxb s ARG 492 Cb -0.01 0.41 0.00 0.00 -1.56 0.00 0.00 34.95 33.79 3dxb s ARG 492 CO 0.76 -0.28 -0.16 0.08 -0.81 0.00 0.00 175.30 174.89 3dxb s VAL 493 N -1.65 1.33 -0.16 7.11 1.01 -1.26 -0.94 120.40 125.83 3dxb s VAL 493 Ca -0.10 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3dxb s VAL 493 Cb -0.02 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.22 3dxb s VAL 493 CO 0.04 0.39 -0.18 -0.63 0.00 0.00 0.00 175.10 174.72 3dxb s ILE 494 N 0.19 1.84 -0.63 2.22 1.01 0.22 -4.98 121.20 121.07 3dxb s ILE 494 Ca -0.06 -0.81 -0.21 0.00 0.00 0.00 0.00 60.65 59.57 3dxb s ILE 494 Cb -0.12 -1.68 0.08 0.00 0.01 0.00 0.00 42.46 40.75 3dxb s ILE 494 CO 0.03 0.50 0.85 -0.63 0.00 0.00 0.00 174.94 175.69 3dxb s ILE 495 N 1.34 4.53 -0.15 2.92 -1.09 -1.26 -0.69 121.20 126.79 3dxb s ILE 495 Ca 0.04 -0.63 -0.06 0.00 -2.23 0.00 0.00 60.65 57.77 3dxb s ILE 495 Cb -0.13 -4.60 -0.04 0.00 -1.58 0.00 0.00 42.46 36.11 3dxb s ILE 495 CO -0.11 -1.32 0.04 -0.47 -1.23 0.00 0.00 174.94 171.85 3dxb s TYR 496 N 3.48 3.23 -0.22 3.97 5.04 -0.31 -4.99 117.35 127.54 3dxb s TYR 496 Ca 0.18 0.08 -0.04 0.00 -2.44 0.00 0.00 57.07 54.85 3dxb s TYR 496 Cb -0.20 -1.99 -0.01 0.00 0.35 0.00 0.00 41.96 40.11 3dxb s TYR 496 CO 0.09 0.23 -0.04 -0.65 -1.34 0.00 0.00 175.55 173.84 3dxb s GLN 497 N 0.02 3.35 -0.20 4.97 -0.21 -1.26 -0.62 119.66 125.70 3dxb s GLN 497 Ca 0.05 -0.64 -0.02 0.00 0.02 0.00 0.00 55.36 54.77 3dxb s GLN 497 Cb -0.12 -3.01 0.00 0.00 1.00 0.00 0.00 33.01 30.88 3dxb s GLN 497 CO 0.01 -0.21 -0.11 -2.00 -2.12 0.00 0.00 175.29 170.86 3dxb s GLU 498 N 1.47 3.22 -0.01 2.91 2.12 0.40 -4.95 118.70 123.86 3dxb s GLU 498 Ca 0.06 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.37 3dxb s GLU 498 Cb -0.14 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 3dxb s GLU 498 CO -0.03 -0.18 1.09 0.21 -0.54 0.00 0.00 175.26 175.81 3dxb s LYS 499 N 1.33 4.46 -0.08 4.30 2.20 -1.26 -0.71 119.74 129.97 3dxb s LYS 499 Ca 0.04 1.57 0.09 0.00 -0.36 0.00 0.00 55.97 57.31 3dxb s LYS 499 Cb -0.14 -3.46 0.39 0.00 -1.51 0.00 0.00 37.83 33.12 3dxb s LYS 499 CO -0.06 -0.23 1.18 1.04 -0.36 0.00 0.00 175.35 176.92 3dxb n GLN 500 N 4.31 2.64 0.00 4.03 1.13 0.12 -4.93 117.38 124.67 3dxb n GLN 500 Ca 0.08 -1.53 0.00 0.00 -1.94 0.00 0.00 57.00 53.62 3dxb n GLN 500 Cb 0.48 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 29.13 3dxb n GLN 500 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dxb n GLY 501 N 0.57 0.39 0.13 1.08 0.00 -1.26 -4.84 105.19 101.26 3dxb n GLY 501 Ca 0.14 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.40 3dxb n GLY 501 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxb n GLU 502 N -0.13 0.21 0.00 1.61 1.02 -1.26 -4.85 120.64 117.25 3dxb n GLU 502 Ca 0.00 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 3dxb n GLU 502 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 3dxb n GLU 502 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3dxb n GLU 503 N -2.27 0.76 -0.07 3.49 4.71 -1.26 -5.03 120.64 120.97 3dxb n GLU 503 Ca 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.09 3dxb n GLU 503 Cb 0.26 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.59 3dxb n GLU 503 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 3dxb n GLU 504 N -0.20 1.45 -0.60 3.49 -0.00 -1.26 -4.48 120.64 119.04 3dxb n GLU 504 Ca 0.00 0.02 0.09 0.00 -0.00 0.00 0.00 57.16 57.27 3dxb n GLU 504 Cb 0.00 -1.34 0.34 0.00 -0.00 0.00 0.00 31.44 30.44 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 -2.63 4.55 -4.64 -1.84 8.00 -1.26 -4.99 116.55 113.74 3dxb n ASP 505 Ca -0.24 -2.44 -0.47 0.00 0.71 0.00 0.00 54.79 52.35 3dxb n ASP 505 Cb 0.91 -0.57 -0.04 0.00 -0.02 0.00 0.00 41.12 41.40 3dxb n ASP 505 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dxb n ALA 506 N 1.04 0.45 -1.76 2.24 0.00 -1.26 -4.90 120.51 116.32 3dxb n ALA 506 Ca 0.24 0.46 -0.40 0.00 0.00 0.00 0.00 53.44 53.74 3dxb n ALA 506 Cb 0.86 -2.22 0.02 0.00 0.00 0.00 0.00 19.45 18.11 3dxb n ALA 506 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3dxb s GLU 507 N 0.31 3.60 -0.17 0.00 2.12 -1.26 -4.68 118.70 118.62 3dxb s GLU 507 Ca 0.77 2.40 -0.02 0.00 0.36 0.00 0.00 54.97 58.48 3dxb s GLU 507 Cb -0.76 -2.60 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 3dxb s GLU 507 CO 0.45 -0.88 -0.10 0.42 -0.54 0.00 0.00 175.26 174.61 3dxb s ILE 508 N -1.21 3.15 0.31 -3.70 1.01 -1.26 0.11 121.20 119.62 3dxb s ILE 508 Ca 0.63 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.76 3dxb s ILE 508 Cb -0.43 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 3dxb s ILE 508 CO 0.55 0.49 0.15 0.27 0.00 0.00 0.00 174.94 176.40 3dxb s ILE 509 N 0.84 3.43 -0.12 2.92 -4.36 0.11 -4.63 121.20 119.38 3dxb s ILE 509 Ca -0.03 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 3dxb s ILE 509 Cb -0.15 -3.06 -0.00 0.00 1.25 0.00 0.00 42.46 40.50 3dxb s ILE 509 CO 0.01 -0.25 -0.18 -0.69 0.24 0.00 0.00 174.94 174.07 3dxb s VAL 510 N -2.34 2.51 -0.17 8.37 1.01 -1.26 -0.46 120.40 128.07 3dxb s VAL 510 Ca 0.36 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 3dxb s VAL 510 Cb -0.05 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 3dxb s VAL 510 CO 0.23 0.54 -0.08 -0.54 0.00 0.00 0.00 175.10 175.24 3dxb s LYS 511 N 0.48 3.40 -0.39 2.72 1.02 0.21 -4.26 119.74 122.93 3dxb s LYS 511 Ca -0.12 -0.64 -0.14 0.00 0.02 0.00 0.00 55.97 55.08 3dxb s LYS 511 Cb -0.17 -2.82 0.01 0.00 -0.52 0.00 0.00 37.83 34.33 3dxb s LYS 511 CO 0.05 0.03 0.28 0.42 -0.92 0.00 0.00 175.35 175.20 3dxb s ILE 512 N 0.87 5.17 -0.09 2.17 1.01 -0.65 -1.17 121.20 128.51 3dxb s ILE 512 Ca -0.02 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.84 3dxb s ILE 512 Cb -0.15 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 3dxb s ILE 512 CO 0.01 -0.24 0.52 -0.36 0.00 0.00 0.00 174.94 174.87 3dxb s PHE 513 N 1.67 3.55 -0.20 3.97 0.08 0.13 -0.01 117.98 127.17 3dxb s PHE 513 Ca 0.05 0.98 -0.00 0.00 0.12 0.00 0.00 56.93 58.07 3dxb s PHE 513 Cb -0.19 -2.58 0.05 0.00 -0.57 0.00 0.00 43.02 39.74 3dxb s PHE 513 CO 0.10 0.20 -0.05 0.08 -0.10 0.00 0.00 175.22 175.45 3dxb s VAL 514 N 0.46 1.23 -0.25 -0.44 1.01 0.77 -0.61 120.40 122.57 3dxb s VAL 514 Ca 0.28 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 3dxb s VAL 514 Cb -0.16 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3dxb s VAL 514 CO 0.12 0.00 0.27 -0.70 0.00 0.00 0.00 175.10 174.80 3dxb s GLU 515 N 1.56 4.05 0.36 2.72 2.12 -0.12 -0.48 118.70 128.91 3dxb s GLU 515 Ca -0.02 -0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.26 3dxb s GLU 515 Cb -0.17 -3.60 -0.01 0.00 0.26 0.00 0.00 34.13 30.61 3dxb s GLU 515 CO -0.07 -0.11 0.51 -0.06 -0.54 0.00 0.00 175.26 174.99 3dxb s PHE 516 N 1.55 3.15 0.28 5.30 0.40 -0.10 0.12 117.98 128.68 3dxb s PHE 516 Ca 0.12 -0.11 0.05 0.00 -0.60 0.00 0.00 56.93 56.39 3dxb s PHE 516 Cb -0.15 -2.05 0.40 0.00 0.51 0.00 0.00 43.02 41.73 3dxb s PHE 516 CO 0.08 -0.08 1.67 0.66 0.70 0.00 0.00 175.22 178.26 3dxb h SER 517 N 0.79 0.32 -4.67 1.36 4.64 -1.36 -3.43 113.55 111.20 3dxb h SER 517 Ca -0.46 -0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 60.60 3dxb h SER 517 Cb 1.25 -0.09 -0.21 0.00 -0.31 0.00 0.00 62.40 63.04 3dxb h SER 517 CO 0.54 0.70 -0.26 -0.51 -0.87 0.00 0.00 176.83 176.44 3dxb s ILE 518 N -4.15 0.04 0.43 0.95 2.07 -1.26 -5.06 121.20 114.22 3dxb s ILE 518 Ca -0.05 -0.32 0.18 0.00 -1.41 0.00 0.00 60.65 59.05 3dxb s ILE 518 Cb 0.13 -0.60 0.38 0.00 0.13 0.00 0.00 42.46 42.49 3dxb s ILE 518 CO 0.78 -0.17 1.89 0.00 -1.91 0.00 0.00 174.94 175.53 3dxb h ALA 519 N 4.30 2.21 -0.60 1.50 0.00 -1.85 -1.12 119.26 123.69 3dxb h ALA 519 Ca -0.29 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.71 3dxb h ALA 519 Cb 1.18 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3dxb h ALA 519 CO 0.36 -0.45 0.40 0.66 0.00 0.00 0.00 179.25 180.22 3dxb h SER 520 N 0.38 0.44 -0.05 0.00 4.64 -1.93 -1.27 113.55 115.76 3dxb h SER 520 Ca 0.42 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.62 3dxb h SER 520 Cb 1.05 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3dxb h SER 520 CO -0.14 0.28 -0.45 -0.33 -0.87 0.00 0.00 176.83 175.32 3dxb h GLU 521 N 0.50 0.40 -0.98 4.77 5.08 -1.47 -3.12 114.58 119.76 3dxb h GLU 521 Ca 0.27 -0.36 0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3dxb h GLU 521 Cb 0.40 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 3dxb h GLU 521 CO -0.08 1.01 0.62 1.15 -1.00 0.00 0.00 179.01 180.72 3dxb h THR 522 N -0.08 0.99 -0.71 1.13 2.02 -1.44 -2.05 112.91 112.77 3dxb h THR 522 Ca -0.04 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 3dxb h THR 522 Cb 1.13 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 3dxb h THR 522 CO 0.09 0.19 0.35 -0.74 0.37 0.00 0.00 175.52 175.78 3dxb h HIS 523 N 1.05 1.01 -0.41 3.16 -0.00 -1.27 -0.96 115.15 117.73 3dxb h HIS 523 Ca 0.46 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.73 3dxb h HIS 523 Cb 0.34 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.42 3dxb h HIS 523 CO -0.01 0.74 0.05 0.87 -0.00 0.00 0.00 177.93 179.59 3dxb h LYS 524 N 0.99 0.69 -0.34 5.26 1.57 -1.36 -1.53 116.57 121.85 3dxb h LYS 524 Ca 0.24 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3dxb h LYS 524 Cb 0.10 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3dxb h LYS 524 CO -0.03 0.74 0.22 0.00 -0.57 0.00 0.00 179.45 179.81 3dxb h ALA 525 N 0.92 0.43 -0.03 3.86 0.00 -1.22 -1.86 119.26 121.36 3dxb h ALA 525 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dxb h ALA 525 Cb 0.40 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3dxb h ALA 525 CO 0.01 -0.10 0.02 0.82 0.00 0.00 0.00 179.25 180.00 3dxb h ILE 526 N 0.45 1.05 -0.59 0.00 2.04 -1.06 -0.79 117.51 118.61 3dxb h ILE 526 Ca 0.12 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3dxb h ILE 526 Cb -0.04 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3dxb h ILE 526 CO -0.03 0.04 0.22 1.56 0.00 0.00 0.00 178.15 179.95 3dxb h GLN 527 N -0.02 0.87 0.00 2.37 1.08 -1.22 0.18 115.11 118.37 3dxb h GLN 527 Ca 0.01 -0.14 -0.15 0.00 -1.45 0.00 0.00 58.65 56.92 3dxb h GLN 527 Cb 0.06 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 3dxb h GLN 527 CO -0.00 0.73 -0.72 0.00 -0.95 0.00 0.00 178.83 177.88 3dxb h ALA 528 N 1.39 0.66 0.00 3.87 0.00 -1.20 -3.38 119.26 120.61 3dxb h ALA 528 Ca 0.20 -0.66 -0.36 0.00 0.00 0.00 0.00 54.91 54.09 3dxb h ALA 528 Cb 0.19 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3dxb h ALA 528 CO -0.02 0.90 -2.37 1.28 0.00 0.00 0.00 179.25 179.04 3dxb n LEU 529 N -3.47 1.64 -4.72 0.00 4.32 -0.32 -4.92 117.00 109.54 3dxb n LEU 529 Ca 0.00 -0.07 -0.42 0.00 -0.02 0.00 0.00 56.01 55.50 3dxb n LEU 529 Cb 0.76 -0.26 -0.03 0.00 -1.62 0.00 0.00 43.42 42.26 3dxb n LEU 529 CO 0.43 0.72 1.38 0.21 -1.22 0.00 0.00 177.39 178.92 3dxb s ASN 530 N -5.94 6.39 0.00 -1.43 2.47 0.59 -2.55 114.94 114.47 3dxb s ASN 530 Ca -0.23 2.85 0.00 0.00 0.42 0.00 0.00 52.86 55.91 3dxb s ASN 530 Cb 0.07 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.28 3dxb s ASN 530 CO 0.67 -0.98 0.00 0.61 -3.72 0.00 0.00 177.10 173.69 3dxb n GLY 531 N 4.01 0.64 3.92 1.21 0.00 0.15 -4.91 105.19 110.22 3dxb n GLY 531 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3dxb n GLY 531 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dxb s ARG 532 N -0.14 3.02 -0.22 1.61 1.70 -1.06 -4.78 118.95 119.09 3dxb s ARG 532 Ca 0.00 -1.07 -0.10 0.00 -0.47 0.00 0.00 55.73 54.09 3dxb s ARG 532 Cb 0.00 -2.69 -0.05 0.00 -0.57 0.00 0.00 34.95 31.64 3dxb s ARG 532 CO 0.00 0.17 0.13 -1.58 -1.08 0.00 0.00 175.30 172.94 3dxb s TRP 533 N -2.18 3.33 -0.13 5.89 0.52 -1.26 -0.79 118.94 124.32 3dxb s TRP 533 Ca 0.41 0.21 0.02 0.00 0.02 0.00 0.00 56.10 56.75 3dxb s TRP 533 Cb -0.08 -2.19 0.02 0.00 -1.15 0.00 0.00 33.47 30.06 3dxb s TRP 533 CO 0.29 0.15 -0.17 -0.06 0.02 0.00 0.00 176.95 177.17 3dxb s PHE 534 N 0.70 2.23 0.00 -1.98 0.40 -0.42 -4.92 117.98 114.00 3dxb s PHE 534 Ca 0.07 -1.14 0.00 0.00 -0.60 0.00 0.00 56.93 55.26 3dxb s PHE 534 Cb -0.12 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 41.82 3dxb s PHE 534 CO 0.01 -0.57 0.00 0.00 0.70 0.00 0.00 175.22 175.36 3dxb n ALA 535 N 4.33 0.00 -1.40 5.36 0.00 -1.26 -2.42 120.51 125.11 3dxb n ALA 535 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 3dxb n ALA 535 Cb 0.51 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.13 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 0.00 4.92 2.92 0.00 0.00 -1.26 -4.99 105.19 106.77 3dxb n GLY 536 Ca 0.00 -1.33 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 3dxb n GLY 536 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dxb s ARG 537 N -3.33 0.61 -0.25 1.61 1.70 -1.02 -5.11 118.95 113.16 3dxb s ARG 537 Ca 0.51 -0.13 -0.29 0.00 -0.47 0.00 0.00 55.73 55.35 3dxb s ARG 537 Cb 0.44 -0.63 0.00 0.00 -0.57 0.00 0.00 34.95 34.19 3dxb s ARG 537 CO 0.04 0.00 1.17 0.21 -1.08 0.00 0.00 175.30 175.64 3dxb s LYS 538 N 0.48 4.13 -0.03 3.89 2.20 -1.26 -1.30 119.74 127.86 3dxb s LYS 538 Ca -0.06 1.36 -0.20 0.00 -0.36 0.00 0.00 55.97 56.71 3dxb s LYS 538 Cb -0.09 -3.75 -0.05 0.00 -1.51 0.00 0.00 37.83 32.42 3dxb s LYS 538 CO -0.00 -0.82 0.58 0.08 -0.36 0.00 0.00 175.35 174.83 3dxb s VAL 539 N 3.65 4.96 -0.34 4.02 1.01 0.03 -4.76 120.40 128.97 3dxb s VAL 539 Ca 0.50 1.21 -0.15 0.00 0.00 0.00 0.00 61.98 63.55 3dxb s VAL 539 Cb -0.17 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 3dxb s VAL 539 CO 0.14 0.39 0.34 -0.69 0.00 0.00 0.00 175.10 175.29 3dxb s VAL 540 N -0.02 5.19 -0.21 2.92 1.01 -0.73 -0.67 120.40 127.89 3dxb s VAL 540 Ca 0.31 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 3dxb s VAL 540 Cb -0.18 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3dxb s VAL 540 CO 0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 175.10 175.14 3dxb s ALA 541 N 1.98 2.74 0.21 5.51 0.00 -1.26 0.09 121.76 131.03 3dxb s ALA 541 Ca 0.11 -1.15 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 3dxb s ALA 541 Cb -0.17 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.36 3dxb s ALA 541 CO 0.11 -0.37 0.49 -1.83 0.00 0.00 0.00 175.76 174.16 3dxb s GLU 542 N 1.37 1.42 0.48 0.00 -1.05 -0.95 -4.48 118.70 115.49 3dxb s GLU 542 Ca 0.05 -1.03 -0.24 0.00 -0.15 0.00 0.00 54.97 53.60 3dxb s GLU 542 Cb -0.14 0.49 -0.07 0.00 -0.44 0.00 0.00 34.13 33.97 3dxb s GLU 542 CO -0.04 -0.59 1.31 0.14 0.95 0.00 0.00 175.26 177.03 3dxb s VAL 543 N -3.93 2.46 -0.10 1.83 -7.23 -1.26 -0.68 120.40 111.49 3dxb s VAL 543 Ca 0.14 0.37 0.03 0.00 -1.81 0.00 0.00 61.98 60.71 3dxb s VAL 543 Cb -0.01 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.74 3dxb s VAL 543 CO 0.02 0.02 -0.21 -0.47 -0.31 0.00 0.00 175.10 174.14 3dxb s TYR 544 N -1.34 2.32 -0.35 2.82 5.04 0.03 -4.70 117.35 121.17 3dxb s TYR 544 Ca 0.65 -0.98 -0.44 0.00 -2.44 0.00 0.00 57.07 53.86 3dxb s TYR 544 Cb -0.37 -1.58 -0.19 0.00 0.35 0.00 0.00 41.96 40.17 3dxb s TYR 544 CO 0.46 -0.42 1.57 -3.47 -1.34 0.00 0.00 175.55 172.35 3dxb n ASP 545 N 3.70 1.44 -0.06 4.32 2.03 -1.26 -4.43 116.55 122.28 3dxb n ASP 545 Ca -0.20 1.15 -0.15 0.00 0.52 0.00 0.00 54.79 56.11 3dxb n ASP 545 Cb 0.52 -0.97 -0.04 0.00 -0.72 0.00 0.00 41.12 39.91 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 5.41 0.83 -0.47 -0.67 4.15 -1.95 -2.47 115.11 119.93 3dxb h GLN 546 Ca -0.46 -0.56 -0.00 0.00 0.77 0.00 0.00 58.65 58.40 3dxb h GLN 546 Cb 1.36 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.11 3dxb h GLN 546 CO 0.93 1.19 0.28 1.49 -1.93 0.00 0.00 178.83 180.79 3dxb h GLU 547 N 0.62 0.65 -0.25 1.69 4.81 -1.99 0.14 114.58 120.25 3dxb h GLU 547 Ca -0.00 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3dxb h GLU 547 Cb 1.21 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 3dxb h GLU 547 CO 0.13 0.48 0.00 0.00 -0.73 0.00 0.00 179.01 178.89 3dxb h ARG 548 N 0.63 0.08 -0.11 1.92 3.08 -1.85 -1.48 114.38 116.65 3dxb h ARG 548 Ca 0.17 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.22 3dxb h ARG 548 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3dxb h ARG 548 CO -0.03 0.05 0.04 0.35 -1.07 0.00 0.00 179.97 179.31 3dxb h PHE 549 N 0.08 0.08 -0.36 3.04 3.57 -1.14 0.13 116.94 122.33 3dxb h PHE 549 Ca 0.12 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.73 3dxb h PHE 549 Cb 0.16 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3dxb h PHE 549 CO -0.20 0.04 0.27 -0.44 -2.23 0.00 0.00 178.31 175.75 3dxb h ASP 550 N 0.10 0.00 -0.66 0.41 3.32 -0.44 -1.69 116.42 117.45 3dxb h ASP 550 Ca 0.04 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.88 3dxb h ASP 550 Cb 0.02 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.44 3dxb h ASP 550 CO -0.04 0.00 0.23 0.59 -1.72 0.00 0.00 179.24 178.30 3dxb n ASN 551 N -4.39 4.38 -2.63 6.45 3.02 -0.58 -4.94 115.26 116.56 3dxb n ASN 551 Ca 0.06 -3.30 -0.20 0.00 -0.03 0.00 0.00 54.58 51.12 3dxb n ASN 551 Cb 0.45 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 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 -0.39 -5.37 -4.30 6.41 7.64 -0.64 -4.95 113.62 112.03 3dxb n SER 552 Ca 0.39 -0.06 -0.43 0.00 1.01 0.00 0.00 58.87 59.78 3dxb n SER 552 Cb 1.32 -4.44 -0.08 0.00 -1.01 0.00 0.00 64.21 60.00 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 -2.26 5.93 -0.22 6.43 2.15 0.42 -4.93 116.67 124.19 3dxb s ASP 553 Ca 0.10 -1.62 0.14 0.00 0.43 0.00 0.00 52.55 51.60 3dxb s ASP 553 Cb -0.05 -2.10 0.57 0.00 -0.30 0.00 0.00 42.92 41.04 3dxb s ASP 553 CO 0.13 -0.68 1.50 0.18 -0.17 0.00 0.00 175.17 176.12 3dxb n LEU 554 N 5.08 4.31 0.11 -1.34 4.77 -1.26 -3.87 117.00 124.79 3dxb n LEU 554 Ca -0.11 -3.19 0.12 0.00 -0.03 0.00 0.00 56.01 52.80 3dxb n LEU 554 Cb 0.42 -0.60 0.12 0.00 -2.33 0.00 0.00 43.42 41.04 3dxb n LEU 554 CO 0.46 0.80 0.35 0.77 -1.33 0.00 0.00 177.39 178.44 3dxb h SER 555 N 1.85 0.00 -0.00 -1.43 4.64 -1.96 -3.51 113.55 113.14 3dxb h SER 555 Ca 0.08 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dxb h SER 555 Cb 1.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 3dxb h SER 555 CO 0.34 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.33