#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 0.26 -6.18 0.11 2.10 -1.97 -3.45 116.57 107.43 3dxb h LYS 347 Ca 0.00 -0.16 -0.55 0.00 -2.00 0.00 0.00 60.65 57.94 3dxb h LYS 347 Cb 0.00 0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.30 3dxb h LYS 347 CO 0.00 0.73 0.27 0.42 -2.00 0.00 0.00 179.45 178.86 3dxb s ILE 348 N -3.91 4.94 0.10 0.07 1.01 -1.26 -4.70 121.20 117.45 3dxb s ILE 348 Ca -0.04 1.75 -0.30 0.00 0.00 0.00 0.00 60.65 62.05 3dxb s ILE 348 Cb 0.12 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 3dxb s ILE 348 CO 0.79 0.17 1.15 -0.63 0.00 0.00 0.00 174.94 176.43 3dxb s ILE 349 N 1.12 4.02 -0.29 2.92 1.01 -0.01 -4.96 121.20 125.02 3dxb s ILE 349 Ca 0.44 1.54 -0.07 0.00 0.00 0.00 0.00 60.65 62.56 3dxb s ILE 349 Cb -0.19 -3.99 -0.00 0.00 0.01 0.00 0.00 42.46 38.29 3dxb s ILE 349 CO 0.21 0.17 0.09 -1.00 0.00 0.00 0.00 174.94 174.42 3dxb s HIS 350 N 0.59 3.13 0.22 3.97 3.76 -1.26 -0.42 115.29 125.28 3dxb s HIS 350 Ca 0.55 -0.75 -0.01 0.00 -0.15 0.00 0.00 55.06 54.70 3dxb s HIS 350 Cb -0.29 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 3dxb s HIS 350 CO 0.31 -0.50 0.42 -0.51 -0.85 0.00 0.00 174.74 173.62 3dxb s LEU 351 N 1.55 4.20 0.24 0.89 1.43 0.53 -4.95 118.68 122.58 3dxb s LEU 351 Ca 0.04 0.45 0.06 0.00 -1.03 0.00 0.00 54.13 53.65 3dxb s LEU 351 Cb -0.17 -3.23 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 3dxb s LEU 351 CO 0.03 -0.07 -0.07 0.42 0.23 0.00 0.00 176.35 176.89 3dxb s THR 352 N -1.91 1.51 0.40 5.49 -4.23 -1.26 -4.59 115.64 111.05 3dxb s THR 352 Ca 0.39 -2.12 0.10 0.00 -1.18 0.00 0.00 61.69 58.88 3dxb s THR 352 Cb -0.11 -2.29 0.31 0.00 1.34 0.00 0.00 72.50 71.75 3dxb s THR 352 CO 0.29 -0.41 1.97 0.44 -0.54 0.00 0.00 174.62 176.38 3dxb h ASP 353 N 2.42 0.50 0.47 3.99 3.45 -1.92 -1.11 116.42 124.23 3dxb h ASP 353 Ca -0.39 0.01 -0.15 0.00 0.43 0.00 0.00 57.03 56.93 3dxb h ASP 353 Cb 1.23 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.88 3dxb h ASP 353 CO 0.65 0.32 -0.64 0.44 -1.57 0.00 0.00 179.24 178.44 3dxb h ASP 354 N 0.57 0.18 0.25 6.45 3.45 -2.01 -3.31 116.42 122.00 3dxb h ASP 354 Ca 0.29 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.64 3dxb h ASP 354 Cb 0.39 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 3dxb h ASP 354 CO -0.09 0.76 -0.90 -1.54 -1.57 0.00 0.00 179.24 175.90 3dxb n SER 355 N -3.83 0.72 -0.16 6.45 3.41 -0.90 -4.58 113.62 114.74 3dxb n SER 355 Ca -0.02 -0.55 -0.03 0.00 -0.26 0.00 0.00 58.87 58.00 3dxb n SER 355 Cb 0.64 0.77 0.06 0.00 -0.26 0.00 0.00 64.21 65.42 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 0.28 -0.35 7.33 3.57 -1.31 0.14 116.94 126.59 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 0.57 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 3dxb h PHE 356 CO 0.00 0.08 0.19 0.22 -2.23 0.00 0.00 178.31 176.57 3dxb h ASP 357 N 0.33 0.29 0.10 0.41 1.82 -1.82 0.05 116.42 117.59 3dxb h ASP 357 Ca 0.24 0.01 -0.22 0.00 -0.39 0.00 0.00 57.03 56.67 3dxb h ASP 357 Cb 0.26 -0.05 0.02 0.00 0.68 0.00 0.00 39.33 40.25 3dxb h ASP 357 CO -0.25 0.21 -0.93 0.00 -1.61 0.00 0.00 179.24 176.66 3dxb h THR 358 N 0.38 1.40 -0.20 2.25 1.03 -1.82 -1.27 112.91 114.69 3dxb h THR 358 Ca 0.15 -2.39 -0.10 0.00 -0.01 0.00 0.00 66.41 64.06 3dxb h THR 358 Cb 0.04 2.87 -0.01 0.00 -1.07 0.00 0.00 68.15 69.97 3dxb h THR 358 CO -0.09 0.70 -0.30 0.44 -0.01 0.00 0.00 175.52 176.26 3dxb h ASP 359 N -0.07 0.39 0.00 0.00 3.32 -0.65 -3.29 116.42 116.13 3dxb h ASP 359 Ca -0.14 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 3dxb h ASP 359 Cb 1.67 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.10 3dxb h ASP 359 CO 0.18 0.68 -0.60 0.52 -1.72 0.00 0.00 179.24 178.30 3dxb n VAL 360 N -4.10 1.09 0.18 -1.35 0.31 -0.00 -4.45 118.33 110.01 3dxb n VAL 360 Ca -0.01 0.21 0.05 0.00 -0.01 0.00 0.00 64.34 64.58 3dxb n VAL 360 Cb 0.42 -1.76 0.33 0.00 -0.91 0.00 0.00 33.84 31.92 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 -0.30 0.00 -3.15 7.52 3.38 -1.37 -3.03 115.31 118.36 3dxb h LEU 361 Ca -0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3dxb h LEU 361 Cb 0.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3dxb h LEU 361 CO -0.03 0.40 -0.13 0.29 0.09 0.00 0.00 178.44 179.05 3dxb n LYS 362 N -3.60 1.85 -3.18 1.13 5.02 -0.53 -2.80 118.16 116.06 3dxb n LYS 362 Ca -0.00 -2.96 -0.29 0.00 -2.02 0.00 0.00 58.31 53.03 3dxb n LYS 362 Cb 0.51 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 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 -3.05 3.53 -0.05 7.82 0.00 -1.15 -4.93 121.76 123.94 3dxb s ALA 363 Ca 0.39 -0.43 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 3dxb s ALA 363 Cb 0.35 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 3dxb s ALA 363 CO 0.01 0.17 0.38 -0.51 0.00 0.00 0.00 175.76 175.81 3dxb s ASP 364 N -3.13 6.70 0.00 0.00 1.01 -1.26 -4.42 116.67 115.57 3dxb s ASP 364 Ca 0.46 0.83 0.00 0.00 0.71 0.00 0.00 52.55 54.56 3dxb s ASP 364 Cb -0.11 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.60 3dxb s ASP 364 CO 0.30 0.26 0.00 0.61 0.21 0.00 0.00 175.17 176.55 3dxb n GLY 365 N 2.26 -0.98 3.74 0.21 0.00 -1.26 -4.92 105.19 104.23 3dxb n GLY 365 Ca -0.13 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.37 3.30 -0.19 4.61 0.00 -1.25 -4.22 121.76 122.64 3dxb s ALA 366 Ca 0.00 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.62 3dxb s ALA 366 Cb 0.00 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.86 3dxb s ALA 366 CO 0.00 -0.00 -0.18 0.42 0.00 0.00 0.00 175.76 176.00 3dxb s ILE 367 N -0.43 2.20 -0.38 0.00 -1.09 -0.07 -0.86 121.20 120.56 3dxb s ILE 367 Ca 0.46 -0.91 -0.20 0.00 -2.23 0.00 0.00 60.65 57.77 3dxb s ILE 367 Cb -0.26 -1.94 0.01 0.00 -1.58 0.00 0.00 42.46 38.69 3dxb s ILE 367 CO 0.32 0.51 0.59 -0.22 -1.23 0.00 0.00 174.94 174.91 3dxb s LEU 368 N 1.31 4.38 -0.25 2.97 2.96 1.00 -0.55 118.68 130.50 3dxb s LEU 368 Ca 0.05 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.78 3dxb s LEU 368 Cb -0.13 -2.69 -0.05 0.00 0.50 0.00 0.00 46.19 43.82 3dxb s LEU 368 CO -0.12 -0.61 0.15 -0.69 -1.32 0.00 0.00 176.35 173.76 3dxb s VAL 369 N 2.61 5.15 -0.32 1.68 1.01 0.13 0.05 120.40 130.72 3dxb s VAL 369 Ca 0.22 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 3dxb s VAL 369 Cb -0.15 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 3dxb s VAL 369 CO 0.15 0.33 0.17 -0.62 0.00 0.00 0.00 175.10 175.13 3dxb s ASP 370 N 1.27 5.63 -0.31 3.32 2.15 0.75 -0.80 116.67 128.69 3dxb s ASP 370 Ca 0.07 -0.57 -0.19 0.00 0.43 0.00 0.00 52.55 52.29 3dxb s ASP 370 Cb -0.14 -2.02 -0.01 0.00 -0.30 0.00 0.00 42.92 40.45 3dxb s ASP 370 CO 0.06 -0.22 0.57 -0.36 -0.17 0.00 0.00 175.17 175.05 3dxb s PHE 371 N 1.62 3.21 0.33 -5.34 0.40 -0.65 -1.29 117.98 116.26 3dxb s PHE 371 Ca 0.04 0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 56.84 3dxb s PHE 371 Cb -0.17 -2.92 -0.00 0.00 0.51 0.00 0.00 43.02 40.43 3dxb s PHE 371 CO 0.07 -0.46 0.43 1.67 0.70 0.00 0.00 175.22 177.63 3dxb s TRP 372 N 2.50 1.15 0.12 0.36 1.48 -0.99 -2.93 118.94 120.63 3dxb s TRP 372 Ca 0.23 -1.34 -0.16 0.00 -1.06 0.00 0.00 56.10 53.77 3dxb s TRP 372 Cb -0.15 -0.19 0.04 0.00 -1.16 0.00 0.00 33.47 32.01 3dxb s TRP 372 CO 0.12 -1.07 0.41 0.00 -4.06 0.00 0.00 176.95 172.34 3dxb s ALA 373 N -3.19 -0.96 0.30 2.67 0.00 -1.26 -1.32 121.76 118.00 3dxb s ALA 373 Ca 0.32 -0.01 0.13 0.00 0.00 0.00 0.00 51.96 52.40 3dxb s ALA 373 Cb 0.00 0.68 0.57 0.00 0.00 0.00 0.00 23.12 24.38 3dxb s ALA 373 CO 0.21 -0.64 1.72 0.93 0.00 0.00 0.00 175.76 177.98 3dxb h GLU 374 N 2.38 0.00 -0.01 0.00 4.39 -2.01 -2.81 114.58 116.52 3dxb h GLU 374 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 3dxb h GLU 374 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3dxb h GLU 374 CO 0.46 0.48 -0.05 -2.67 -1.16 0.00 0.00 179.01 176.08 3dxb n TRP 375 N -3.86 0.00 -2.86 4.33 4.27 -1.26 -4.84 117.44 113.22 3dxb n TRP 375 Ca -0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.17 3dxb n TRP 375 Cb 0.51 -0.04 -0.04 0.00 -1.36 0.00 0.00 31.31 30.38 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 10.37 -1.17 2.00 0.00 0.00 -1.88 -2.26 103.07 110.13 3dxb h GLY 377 Ca -0.24 0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 3dxb h GLY 377 CO 1.00 -0.38 -0.05 -0.56 0.00 0.00 0.00 176.54 176.56 3dxb h PRO 378 N -1.00 0.00 -0.49 4.80 0.13 -1.93 -0.94 132.00 132.58 3dxb h PRO 378 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 3dxb h PRO 378 Cb 0.85 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 3dxb h PRO 378 CO -0.01 0.05 0.22 0.00 -0.23 0.00 0.00 178.00 178.03 3dxb h LYS 380 N 0.65 0.85 -0.94 0.00 1.57 -0.77 -2.19 116.57 115.74 3dxb h LYS 380 Ca 0.17 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3dxb h LYS 380 Cb 0.14 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 3dxb h LYS 380 CO -0.02 0.88 0.62 1.98 -0.57 0.00 0.00 179.45 182.34 3dxb h MET 381 N 0.78 1.22 0.00 3.15 4.05 -0.95 -3.09 114.93 120.08 3dxb h MET 381 Ca 0.14 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3dxb h MET 381 Cb 0.53 -0.27 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 3dxb h MET 381 CO 0.03 0.80 -0.69 0.44 0.23 0.00 0.00 176.91 177.72 3dxb n ILE 382 N -4.44 0.19 -0.23 1.77 -5.35 -0.80 -4.35 119.36 106.14 3dxb n ILE 382 Ca 0.11 -0.18 0.02 0.00 -0.27 0.00 0.00 62.75 62.44 3dxb n ILE 382 Cb 0.03 0.09 0.14 0.00 -1.74 0.00 0.00 39.64 38.16 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 2.68 0.92 -0.28 -1.28 0.00 -1.31 0.28 119.26 120.27 3dxb h ALA 383 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3dxb h ALA 383 Cb 0.66 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3dxb h ALA 383 CO 0.00 -0.16 -0.16 -1.35 0.00 0.00 0.00 179.25 177.58 3dxb h PRO 384 N 0.47 0.50 -0.28 0.00 0.11 -1.76 -2.57 132.00 128.48 3dxb h PRO 384 Ca 0.35 -0.16 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 3dxb h PRO 384 Cb 0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3dxb h PRO 384 CO -0.33 0.65 0.06 0.82 -0.21 0.00 0.00 178.00 178.99 3dxb h ILE 385 N 0.46 1.22 -0.68 4.15 2.04 -1.51 -2.54 117.51 120.64 3dxb h ILE 385 Ca 0.08 -0.75 0.08 0.00 1.00 0.00 0.00 64.86 65.27 3dxb h ILE 385 Cb 0.55 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3dxb h ILE 385 CO 0.04 0.24 0.45 -0.07 0.00 0.00 0.00 178.15 178.81 3dxb h LEU 386 N 0.28 0.56 -0.29 1.44 4.07 -0.91 -0.43 115.31 120.03 3dxb h LEU 386 Ca 0.09 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 3dxb h LEU 386 Cb 0.31 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3dxb h LEU 386 CO 0.00 0.35 0.10 0.44 -1.08 0.00 0.00 178.44 178.26 3dxb h ASP 387 N 0.63 0.42 -0.48 -0.43 3.45 -1.20 0.05 116.42 118.86 3dxb h ASP 387 Ca 0.30 -0.19 -0.02 0.00 0.43 0.00 0.00 57.03 57.56 3dxb h ASP 387 Cb 0.37 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.01 3dxb h ASP 387 CO -0.10 0.49 0.23 -0.33 -1.57 0.00 0.00 179.24 177.97 3dxb h GLU 388 N 0.31 0.69 -0.59 3.56 5.08 -0.99 -2.63 114.58 120.01 3dxb h GLU 388 Ca 0.10 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3dxb h GLU 388 Cb 0.22 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3dxb h GLU 388 CO -0.00 0.58 0.35 0.82 -1.00 0.00 0.00 179.01 179.75 3dxb h ILE 389 N 0.64 1.03 0.00 3.13 1.08 -0.99 -0.58 117.51 121.81 3dxb h ILE 389 Ca 0.17 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 64.38 3dxb h ILE 389 Cb 0.11 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 34.16 3dxb h ILE 389 CO -0.02 0.12 -0.10 0.00 -0.69 0.00 0.00 178.15 177.46 3dxb h ALA 390 N 1.28 1.33 0.11 1.87 0.00 -0.77 -0.10 119.26 122.99 3dxb h ALA 390 Ca 0.25 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.81 3dxb h ALA 390 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dxb h ALA 390 CO -0.12 0.13 -1.26 -0.44 0.00 0.00 0.00 179.25 177.55 3dxb h ASP 391 N 0.00 0.38 -0.10 0.00 3.32 -1.07 -3.31 116.42 115.64 3dxb h ASP 391 Ca -0.00 -0.86 -0.14 0.00 0.02 0.00 0.00 57.03 56.05 3dxb h ASP 391 Cb 0.29 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.72 3dxb h ASP 391 CO 0.01 1.56 -0.48 -0.33 -1.72 0.00 0.00 179.24 178.28 3dxb h GLU 392 N -0.35 0.50 -0.80 3.56 5.08 -0.90 -3.16 114.58 118.50 3dxb h GLU 392 Ca -0.27 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 57.66 3dxb h GLU 392 Cb 1.71 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 3dxb h GLU 392 CO 0.07 1.04 0.03 0.66 -1.00 0.00 0.00 179.01 179.80 3dxb n TYR 393 N -4.25 1.13 -1.73 4.33 4.02 -0.07 -4.95 117.16 115.64 3dxb n TYR 393 Ca -0.08 -0.45 -0.42 0.00 -0.01 0.00 0.00 57.90 56.94 3dxb n TYR 393 Cb 0.59 -0.34 -0.03 0.00 -0.02 0.00 0.00 39.34 39.54 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 -1.90 4.13 0.00 -0.72 0.74 -1.20 -0.88 119.66 119.83 3dxb s GLN 394 Ca 0.28 2.61 0.00 0.00 0.05 0.00 0.00 55.36 58.30 3dxb s GLN 394 Cb 0.22 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 31.21 3dxb s GLN 394 CO 0.08 -0.76 0.00 0.41 -0.55 0.00 0.00 175.29 174.47 3dxb n GLY 395 N 4.00 1.07 0.00 2.59 0.00 -1.26 -4.75 105.19 106.83 3dxb n GLY 395 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3dxb n GLY 395 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dxb n LYS 396 N -2.00 2.96 -3.68 1.61 2.85 -1.02 -5.06 118.16 113.81 3dxb n LYS 396 Ca 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 3dxb n LYS 396 Cb 0.00 -0.32 -0.11 0.00 -0.65 0.00 0.00 35.03 33.96 3dxb n LYS 396 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3dxb s LEU 397 N -0.87 -0.27 -0.12 -5.58 2.96 -0.06 -3.86 118.68 110.88 3dxb s LEU 397 Ca 0.00 0.88 -0.06 0.00 -0.22 0.00 0.00 54.13 54.72 3dxb s LEU 397 Cb 0.00 1.25 -0.04 0.00 0.50 0.00 0.00 46.19 47.90 3dxb s LEU 397 CO 0.00 -0.21 0.11 -0.89 -1.32 0.00 0.00 176.35 174.04 3dxb s THR 398 N 1.89 5.26 -0.20 3.68 2.01 -0.04 -4.36 115.64 123.88 3dxb s THR 398 Ca -0.06 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 61.98 3dxb s THR 398 Cb -0.10 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 3dxb s THR 398 CO -0.12 0.60 0.08 -0.69 -0.69 0.00 0.00 174.62 173.80 3dxb s VAL 399 N -0.90 4.79 0.08 3.82 1.01 -1.26 -0.00 120.40 127.94 3dxb s VAL 399 Ca 0.14 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.17 3dxb s VAL 399 Cb -0.12 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 3dxb s VAL 399 CO 0.03 0.42 -0.19 0.00 0.00 0.00 0.00 175.10 175.36 3dxb s ALA 400 N 0.69 1.64 -0.09 5.51 0.00 0.11 -0.83 121.76 128.79 3dxb s ALA 400 Ca 0.04 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.87 3dxb s ALA 400 Cb -0.13 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3dxb s ALA 400 CO 0.02 0.32 -0.10 0.15 0.00 0.00 0.00 175.76 176.15 3dxb s LYS 401 N -1.71 1.67 -0.24 0.00 1.02 0.44 -0.17 119.74 120.75 3dxb s LYS 401 Ca 0.05 -0.36 -0.01 0.00 0.02 0.00 0.00 55.97 55.67 3dxb s LYS 401 Cb -0.10 -1.53 0.03 0.00 -0.52 0.00 0.00 37.83 35.70 3dxb s LYS 401 CO 0.03 -0.12 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.09 3dxb s LEU 402 N 1.16 3.04 -0.26 3.17 0.20 -0.41 -0.35 118.68 125.24 3dxb s LEU 402 Ca -0.05 -0.85 -0.29 0.00 0.69 0.00 0.00 54.13 53.63 3dxb s LEU 402 Cb -0.14 -1.63 0.01 0.00 -0.43 0.00 0.00 46.19 43.99 3dxb s LEU 402 CO -0.02 -0.11 1.13 0.21 -0.29 0.00 0.00 176.35 177.27 3dxb s ASN 403 N 1.31 6.95 0.16 3.68 3.84 -1.26 -2.34 114.94 127.28 3dxb s ASN 403 Ca 0.00 1.30 0.25 0.00 0.21 0.00 0.00 52.86 54.63 3dxb s ASN 403 Cb -0.16 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 38.92 3dxb s ASN 403 CO -0.06 -0.82 1.77 2.30 -2.79 0.00 0.00 177.10 177.50 3dxb n ILE 404 N 5.66 0.55 -0.05 -5.21 -5.35 -0.44 -0.26 119.36 114.27 3dxb n ILE 404 Ca 0.13 -0.08 -0.15 0.00 -0.27 0.00 0.00 62.75 62.38 3dxb n ILE 404 Cb 0.46 -0.72 -0.13 0.00 -1.74 0.00 0.00 39.64 37.51 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 0.06 0.71 7.28 3.45 -1.92 -3.16 116.42 122.83 3dxb h ASP 405 Ca 0.00 -0.93 -0.09 0.00 0.43 0.00 0.00 57.03 56.44 3dxb h ASP 405 Cb 0.57 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 3dxb h ASP 405 CO 0.00 0.98 -0.44 1.56 -1.57 0.00 0.00 179.24 179.77 3dxb h GLN 406 N -0.86 0.00 -2.63 3.56 4.20 -1.91 -3.38 115.11 114.10 3dxb h GLN 406 Ca -0.01 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.10 3dxb h GLN 406 Cb 1.01 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.40 3dxb h GLN 406 CO 0.02 0.44 -0.85 -0.80 -0.67 0.00 0.00 178.83 176.97 3dxb s ASN 407 N -6.61 2.64 0.00 1.46 -0.87 0.64 -4.94 114.94 107.26 3dxb s ASN 407 Ca -0.01 -2.91 0.29 0.00 -1.57 0.00 0.00 52.86 48.66 3dxb s ASN 407 Cb 0.12 -0.71 1.32 0.00 -0.02 0.00 0.00 41.25 41.97 3dxb s ASN 407 CO 0.71 -0.21 1.90 -0.81 -2.57 0.00 0.00 177.10 176.13 3dxb n PRO 408 N 3.10 1.18 0.11 -0.60 -0.04 -1.19 -4.24 135.00 133.32 3dxb n PRO 408 Ca 0.21 -0.48 -0.19 0.00 -0.04 0.00 0.00 63.50 63.00 3dxb n PRO 408 Cb 0.41 -1.49 -0.15 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 4.93 0.41 0.21 0.55 0.00 -1.94 -3.41 103.07 103.81 3dxb h GLY 409 Ca 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 47.33 46.29 3dxb h GLY 409 CO 0.00 0.91 -0.03 -0.84 0.00 0.00 0.00 176.54 176.58 3dxb h THR 410 N 0.10 1.19 -0.65 4.70 2.02 -1.94 -3.38 112.91 114.95 3dxb h THR 410 Ca -0.21 -1.57 0.13 0.00 0.77 0.00 0.00 66.41 65.53 3dxb h THR 410 Cb 2.05 2.12 -0.10 0.00 -1.74 0.00 0.00 68.15 70.48 3dxb h THR 410 CO 0.21 0.35 0.09 0.00 0.37 0.00 0.00 175.52 176.55 3dxb h ALA 411 N -0.14 0.75 -0.36 6.16 0.00 -1.82 0.48 119.26 124.32 3dxb h ALA 411 Ca -0.01 0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.17 3dxb h ALA 411 Cb 0.64 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3dxb h ALA 411 CO 0.01 -0.35 0.32 -1.35 0.00 0.00 0.00 179.25 177.89 3dxb h PRO 412 N 0.21 0.00 0.00 0.00 0.11 -1.81 -1.22 132.00 129.29 3dxb h PRO 412 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3dxb h PRO 412 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3dxb h PRO 412 CO -0.48 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 178.18 3dxb h LYS 413 N 0.00 0.00 -0.23 1.05 1.57 -1.07 -2.63 116.57 115.26 3dxb h LYS 413 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3dxb h LYS 413 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 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 -2.57 0.35 -3.06 -1.35 4.02 -0.50 -4.99 117.16 109.06 3dxb n TYR 414 Ca 0.02 -0.55 -0.20 0.00 -0.01 0.00 0.00 57.90 57.16 3dxb n TYR 414 Cb 0.26 -0.06 0.04 0.00 -0.02 0.00 0.00 39.34 39.56 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 0.08 -0.39 3.75 2.72 0.00 -0.99 -4.98 105.19 105.38 3dxb n GLY 415 Ca 0.09 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.15 3.41 0.00 -0.61 1.09 -0.98 -4.96 121.20 116.00 3dxb s ILE 416 Ca 0.33 1.28 0.00 0.00 -1.10 0.00 0.00 60.65 61.16 3dxb s ILE 416 Cb -0.15 -3.81 0.00 0.00 -1.06 0.00 0.00 42.46 37.44 3dxb s ILE 416 CO 0.41 0.25 0.00 0.54 -0.10 0.00 0.00 174.94 176.04 3dxb n ARG 417 N 1.90 0.00 -2.48 2.79 1.74 -1.26 -4.68 116.66 114.67 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 0.44 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.87 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 -2.24 1.81 0.10 -0.13 0.00 -1.26 -5.10 107.32 100.49 3dxb s GLY 418 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 44.72 44.64 3dxb s GLY 418 CO 0.00 0.06 -0.20 -0.26 0.00 0.00 0.00 173.10 172.71 3dxb s ILE 419 N -2.69 1.59 0.63 0.90 -4.36 -1.26 -4.15 121.20 111.86 3dxb s ILE 419 Ca 0.53 -1.50 -0.14 0.00 -0.26 0.00 0.00 60.65 59.28 3dxb s ILE 419 Cb -0.10 -1.46 -0.02 0.00 1.25 0.00 0.00 42.46 42.12 3dxb s ILE 419 CO 0.39 -0.09 1.06 -2.16 0.24 0.00 0.00 174.94 174.38 3dxb s PRO 420 N -1.87 3.19 -0.05 0.37 0.04 -1.26 -4.78 135.00 130.64 3dxb s PRO 420 Ca 0.05 1.13 0.01 0.00 0.04 0.00 0.00 61.00 62.23 3dxb s PRO 420 Cb -0.10 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.44 3dxb s PRO 420 CO 0.04 -0.91 -0.05 0.99 0.04 0.00 0.00 177.00 177.11 3dxb s THR 421 N -2.63 0.61 -0.15 1.26 2.01 -1.15 -0.63 115.64 114.96 3dxb s THR 421 Ca 0.62 -0.16 -0.07 0.00 0.31 0.00 0.00 61.69 62.39 3dxb s THR 421 Cb -0.15 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 3dxb s THR 421 CO 0.42 0.25 0.09 -0.76 -0.69 0.00 0.00 174.62 173.93 3dxb s LEU 422 N 0.97 4.02 -0.13 4.42 1.43 0.98 -1.64 118.68 128.73 3dxb s LEU 422 Ca -0.10 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3dxb s LEU 422 Cb -0.14 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.10 3dxb s LEU 422 CO 0.00 0.28 -0.15 -0.76 0.23 0.00 0.00 176.35 175.95 3dxb s LEU 423 N -0.24 1.71 -0.24 1.79 1.02 0.02 -0.59 118.68 122.15 3dxb s LEU 423 Ca 0.09 -0.46 -0.18 0.00 0.02 0.00 0.00 54.13 53.60 3dxb s LEU 423 Cb -0.12 -1.14 -0.03 0.00 0.02 0.00 0.00 46.19 44.92 3dxb s LEU 423 CO 0.01 -0.02 0.52 -0.22 0.02 0.00 0.00 176.35 176.66 3dxb s LEU 424 N 1.23 4.09 -0.08 1.79 2.96 -0.48 0.21 118.68 128.39 3dxb s LEU 424 Ca -0.01 0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 54.47 3dxb s LEU 424 Cb -0.14 -2.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 3dxb s LEU 424 CO -0.06 -0.25 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.34 3dxb s PHE 425 N 2.08 3.10 -0.09 5.38 0.08 0.29 -0.18 117.98 128.63 3dxb s PHE 425 Ca 0.22 0.13 -0.01 0.00 0.12 0.00 0.00 56.93 57.40 3dxb s PHE 425 Cb -0.16 -1.77 0.03 0.00 -0.57 0.00 0.00 43.02 40.55 3dxb s PHE 425 CO 0.09 0.42 -0.05 0.15 -0.10 0.00 0.00 175.22 175.73 3dxb s LYS 426 N -0.82 1.17 -1.39 0.44 1.02 0.70 -0.89 119.74 119.97 3dxb s LYS 426 Ca 0.12 -0.12 -0.06 0.00 0.02 0.00 0.00 55.97 55.94 3dxb s LYS 426 Cb -0.11 -1.33 0.00 0.00 -0.52 0.00 0.00 37.83 35.87 3dxb s LYS 426 CO 0.02 -0.27 0.39 0.09 -0.92 0.00 0.00 175.35 174.66 3dxb n ASN 427 N 4.95 -0.93 0.00 2.83 3.02 -1.26 -0.76 115.26 123.11 3dxb n ASN 427 Ca -0.11 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 3dxb n ASN 427 Cb 0.50 -2.63 0.00 0.00 -0.61 0.00 0.00 39.78 37.04 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 -2.10 0.42 3.58 7.41 0.00 -1.12 -5.00 105.19 108.39 3dxb n GLY 428 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 3dxb n GLY 428 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dxb s GLU 429 N -0.64 2.95 -0.57 1.61 2.12 0.06 -4.96 118.70 119.28 3dxb s GLU 429 Ca 0.00 -0.52 -0.28 0.00 0.36 0.00 0.00 54.97 54.53 3dxb s GLU 429 Cb 0.00 -2.68 0.03 0.00 0.26 0.00 0.00 34.13 31.74 3dxb s GLU 429 CO 0.00 0.60 1.21 0.08 -0.54 0.00 0.00 175.26 176.61 3dxb s VAL 430 N -0.62 4.00 -0.01 3.70 1.01 -1.26 -0.21 120.40 127.02 3dxb s VAL 430 Ca 0.09 0.90 -0.19 0.00 0.00 0.00 0.00 61.98 62.79 3dxb s VAL 430 Cb -0.12 -4.69 -0.33 0.00 0.00 0.00 0.00 36.38 31.24 3dxb s VAL 430 CO 0.02 -1.30 0.96 0.00 0.00 0.00 0.00 175.10 174.77 3dxb h ALA 431 N 9.68 -0.12 -2.87 5.51 0.00 -0.91 -3.48 119.26 127.06 3dxb h ALA 431 Ca -0.25 -0.77 -0.04 0.00 0.00 0.00 0.00 54.91 53.85 3dxb h ALA 431 Cb 1.06 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 3dxb h ALA 431 CO 1.18 0.53 0.06 0.00 0.00 0.00 0.00 179.25 181.03 3dxb s ALA 432 N -2.54 -1.25 0.07 0.00 0.00 -1.16 -5.01 121.76 111.87 3dxb s ALA 432 Ca -0.11 0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.11 3dxb s ALA 432 Cb 0.03 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 3dxb s ALA 432 CO 0.89 -0.71 -0.17 0.95 0.00 0.00 0.00 175.76 176.73 3dxb s THR 433 N -3.78 1.34 -0.15 0.00 -4.23 -1.26 -1.38 115.64 106.18 3dxb s THR 433 Ca 0.02 -1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 59.21 3dxb s THR 433 Cb 0.00 -1.23 0.06 0.00 1.34 0.00 0.00 72.50 72.68 3dxb s THR 433 CO -0.12 -0.08 0.14 -0.75 -0.54 0.00 0.00 174.62 173.27 3dxb s LYS 434 N -1.58 0.08 -0.21 3.99 2.47 0.24 -4.99 119.74 119.74 3dxb s LYS 434 Ca 0.02 0.19 -0.17 0.00 -1.56 0.00 0.00 55.97 54.46 3dxb s LYS 434 Cb -0.09 -1.17 -0.04 0.00 -1.46 0.00 0.00 37.83 35.07 3dxb s LYS 434 CO 0.02 -0.55 0.43 0.08 0.16 0.00 0.00 175.35 175.50 3dxb s VAL 435 N 2.23 5.17 0.00 4.02 1.01 -1.26 -0.01 120.40 131.56 3dxb s VAL 435 Ca 0.04 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.79 3dxb s VAL 435 Cb -0.15 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.47 3dxb s VAL 435 CO -0.09 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3dxb n GLY 436 N 3.96 0.91 3.77 4.51 0.00 0.20 -5.01 105.19 113.54 3dxb n GLY 436 Ca -0.07 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.78 2.50 0.02 4.61 0.00 -1.26 -4.81 121.76 121.03 3dxb s ALA 437 Ca 0.00 0.54 -0.13 0.00 0.00 0.00 0.00 51.96 52.37 3dxb s ALA 437 Cb 0.00 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.83 3dxb s ALA 437 CO 0.00 -1.22 0.29 -1.17 0.00 0.00 0.00 175.76 173.66 3dxb s LEU 438 N -4.79 0.95 0.85 0.00 2.96 -1.26 -5.14 118.68 112.25 3dxb s LEU 438 Ca 0.67 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 54.35 3dxb s LEU 438 Cb -0.20 1.25 0.10 0.00 0.50 0.00 0.00 46.19 47.84 3dxb s LEU 438 CO 0.41 -0.54 1.13 -0.94 -1.32 0.00 0.00 176.35 175.09 3dxb s SER 439 N -1.78 4.05 0.18 3.68 1.04 -1.26 -4.88 113.70 114.74 3dxb s SER 439 Ca -0.08 1.03 -0.13 0.00 0.48 0.00 0.00 55.95 57.25 3dxb s SER 439 Cb -0.03 -1.65 0.09 0.00 0.10 0.00 0.00 66.02 64.54 3dxb s SER 439 CO -0.00 -2.22 1.85 0.50 0.98 0.00 0.00 173.24 174.34 3dxb h LYS 440 N -1.27 0.76 -0.35 4.02 3.64 -1.99 -1.97 116.57 119.41 3dxb h LYS 440 Ca -0.49 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3dxb h LYS 440 Cb 1.31 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 3dxb h LYS 440 CO 0.62 0.50 0.21 0.78 -2.27 0.00 0.00 179.45 179.30 3dxb h GLY 441 N 0.78 0.51 1.94 5.01 0.00 -1.99 -0.87 103.07 108.46 3dxb h GLY 441 Ca 0.22 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 3dxb h GLY 441 CO -0.05 0.21 -0.30 1.46 0.00 0.00 0.00 176.54 177.86 3dxb h GLN 442 N 0.46 0.07 -0.21 4.80 4.20 -1.91 -0.65 115.11 121.87 3dxb h GLN 442 Ca 0.13 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.67 3dxb h GLN 442 Cb 0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3dxb h GLN 442 CO -0.02 0.37 -0.45 1.25 -0.67 0.00 0.00 178.83 179.31 3dxb h LEU 443 N 0.06 0.75 -0.48 1.46 5.85 -1.04 -1.50 115.31 120.42 3dxb h LEU 443 Ca 0.01 -0.56 0.04 0.00 0.84 0.00 0.00 57.88 58.22 3dxb h LEU 443 Cb 0.56 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3dxb h LEU 443 CO 0.04 1.17 0.23 0.11 -0.34 0.00 0.00 178.44 179.65 3dxb h LYS 444 N 0.36 0.44 -0.06 1.25 1.57 -0.83 0.12 116.57 119.42 3dxb h LYS 444 Ca 0.00 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3dxb h LYS 444 Cb 1.05 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 3dxb h LYS 444 CO 0.10 0.29 -0.08 0.93 -0.57 0.00 0.00 179.45 180.11 3dxb h GLU 445 N 0.45 -0.11 -0.40 3.15 5.08 -1.08 0.14 114.58 121.81 3dxb h GLU 445 Ca 0.21 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3dxb h GLU 445 Cb 0.14 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3dxb h GLU 445 CO -0.16 -0.08 0.20 0.35 -1.00 0.00 0.00 179.01 178.33 3dxb h PHE 446 N -0.12 0.37 0.12 4.33 3.04 -1.06 -2.11 116.94 121.51 3dxb h PHE 446 Ca 0.05 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 3dxb h PHE 446 Cb 0.19 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.59 3dxb h PHE 446 CO -0.18 0.19 -0.06 -0.07 -2.02 0.00 0.00 178.31 176.18 3dxb h LEU 447 N 0.41 -0.14 -0.59 0.59 4.07 -0.51 -2.45 115.31 116.68 3dxb h LEU 447 Ca 0.17 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 3dxb h LEU 447 Cb 0.08 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.83 3dxb h LEU 447 CO -0.12 0.16 0.34 0.44 -1.08 0.00 0.00 178.44 178.19 3dxb h ASP 448 N -0.45 0.73 -0.71 -0.43 3.32 -0.71 0.21 116.42 118.38 3dxb h ASP 448 Ca -0.02 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 3dxb h ASP 448 Cb 0.36 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3dxb h ASP 448 CO 0.03 0.59 0.20 0.00 -1.72 0.00 0.00 179.24 178.33 3dxb h ALA 449 N 1.17 1.00 0.00 3.45 0.00 -1.44 -2.74 119.26 120.69 3dxb h ALA 449 Ca 0.21 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3dxb h ALA 449 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3dxb h ALA 449 CO -0.04 0.66 -1.11 -0.91 0.00 0.00 0.00 179.25 177.85 3dxb h ASN 450 N 1.07 0.00 0.12 0.00 2.35 -1.16 -3.16 115.58 114.81 3dxb h ASN 450 Ca 0.23 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.84 3dxb h ASN 450 Cb 0.34 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3dxb h ASN 450 CO -0.00 0.22 -0.51 -0.07 -1.65 0.00 0.00 177.43 175.43 3dxb h LEU 451 N 0.00 0.47 -0.93 1.61 3.38 -0.62 -3.20 115.31 116.03 3dxb h LEU 451 Ca -0.06 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 3dxb h LEU 451 Cb 1.22 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3dxb h LEU 451 CO 0.02 0.90 -0.52 0.00 0.09 0.00 0.00 178.44 178.92 3dxb h ALA 452 N 1.12 1.10 0.00 1.53 0.00 -1.54 -3.47 119.26 118.00 3dxb h ALA 452 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dxb h ALA 452 Cb 1.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3dxb h ALA 452 CO 0.09 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.40 3dxb n GLY 453 N 0.03 1.98 3.24 0.00 0.00 -1.19 -4.90 105.19 104.35 3dxb n GLY 453 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 0.06 0.13 0.26 1.61 1.04 -1.26 -5.02 113.70 110.52 3dxb s SER 454 Ca 0.00 -0.80 0.25 0.00 0.48 0.00 0.00 55.95 55.88 3dxb s SER 454 Cb 0.00 0.36 0.53 0.00 0.10 0.00 0.00 66.02 67.01 3dxb s SER 454 CO 0.00 -0.78 1.59 0.00 0.98 0.00 0.00 173.24 175.03 3dxb h ALA 455 N 2.71 0.89 -2.02 5.32 0.00 -1.90 -3.46 119.26 120.79 3dxb h ALA 455 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3dxb h ALA 455 Cb 1.21 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.79 3dxb h ALA 455 CO 0.54 0.00 0.03 1.41 0.00 0.00 0.00 179.25 181.23 3dxb s MET 456 N -3.17 0.73 -0.08 0.00 1.75 -1.26 -5.12 119.30 112.15 3dxb s MET 456 Ca 0.08 1.17 -0.30 0.00 -1.25 0.00 0.00 55.69 55.39 3dxb s MET 456 Cb 0.10 0.19 -0.05 0.00 2.84 0.00 0.00 34.83 37.92 3dxb s MET 456 CO 0.65 -0.14 1.60 -1.21 -0.65 0.00 0.00 175.02 175.28 3dxb s GLU 457 N 1.37 4.15 0.53 4.11 0.41 -1.26 -4.90 118.70 123.11 3dxb s GLU 457 Ca -0.08 2.08 -0.14 0.00 -0.41 0.00 0.00 54.97 56.42 3dxb s GLU 457 Cb -0.05 -3.96 -0.06 0.00 -1.78 0.00 0.00 34.13 28.27 3dxb s GLU 457 CO -0.15 -0.87 0.96 0.45 -0.49 0.00 0.00 175.26 175.16 3dxb s SER 458 N 3.25 6.49 0.12 -0.19 0.15 -1.26 -4.78 113.70 117.47 3dxb s SER 458 Ca 0.71 1.45 0.26 0.00 0.70 0.00 0.00 55.95 59.06 3dxb s SER 458 Cb -0.31 -2.47 0.65 0.00 -1.71 0.00 0.00 66.02 62.18 3dxb s SER 458 CO 0.27 -0.64 1.57 0.35 1.20 0.00 0.00 173.24 175.99 3dxb n THR 459 N -1.90 0.35 -3.42 6.45 -2.24 -1.26 -4.51 114.28 107.74 3dxb n THR 459 Ca 0.06 -0.21 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 3dxb n THR 459 Cb 0.54 -0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.10 5.21 -0.11 2.28 1.01 -1.26 -1.12 120.40 123.32 3dxb s VAL 460 Ca 0.09 0.62 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 3dxb s VAL 460 Cb 0.14 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3dxb s VAL 460 CO 0.65 0.24 0.04 -0.32 0.00 0.00 0.00 175.10 175.72 3dxb s MET 461 N 1.42 3.24 -0.14 2.72 1.75 0.37 -0.78 119.30 127.89 3dxb s MET 461 Ca 0.17 -0.33 -0.02 0.00 -1.25 0.00 0.00 55.69 54.26 3dxb s MET 461 Cb -0.15 -2.95 -0.02 0.00 2.84 0.00 0.00 34.83 34.55 3dxb s MET 461 CO 0.08 0.66 -0.07 0.54 -0.65 0.00 0.00 175.02 175.57 3dxb s VAL 462 N -0.73 3.57 -0.33 10.11 0.11 0.11 -0.07 120.40 133.17 3dxb s VAL 462 Ca 0.12 -0.48 -0.12 0.00 -2.93 0.00 0.00 61.98 58.57 3dxb s VAL 462 Cb -0.12 -2.53 -0.01 0.00 -1.53 0.00 0.00 36.38 32.19 3dxb s VAL 462 CO 0.02 0.51 0.22 -0.76 -3.33 0.00 0.00 175.10 171.77 3dxb s LEU 463 N 0.24 4.43 0.03 2.54 1.43 0.84 -2.02 118.68 126.18 3dxb s LEU 463 Ca -0.05 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 3dxb s LEU 463 Cb -0.14 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 3dxb s LEU 463 CO 0.04 -0.23 0.01 -0.13 0.23 0.00 0.00 176.35 176.27 3dxb s ARG 464 N 1.69 2.76 -1.63 1.70 0.52 0.62 -1.67 118.95 122.94 3dxb s ARG 464 Ca 0.06 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 3dxb s ARG 464 Cb -0.17 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.64 3dxb s ARG 464 CO 0.09 0.60 0.00 -1.71 0.02 0.00 0.00 175.30 174.30 3dxb n ASN 465 N 1.09 -5.05 0.05 0.23 5.15 -1.26 -1.22 115.26 114.25 3dxb n ASN 465 Ca -0.13 0.19 -0.21 0.00 -0.60 0.00 0.00 54.58 53.83 3dxb n ASN 465 Cb 0.52 -4.10 -0.15 0.00 -0.53 0.00 0.00 39.78 35.53 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 0.30 -3.88 1.20 4.05 -1.81 -3.41 114.93 111.37 3dxb h MET 466 Ca -0.38 -0.52 -0.16 0.00 -0.28 0.00 0.00 59.70 58.36 3dxb h MET 466 Cb 1.22 0.19 -0.21 0.00 -0.80 0.00 0.00 31.60 32.00 3dxb h MET 466 CO 0.50 1.25 -0.66 0.14 0.23 0.00 0.00 176.91 178.37 3dxb s VAL 467 N -2.45 0.11 0.28 -5.77 -7.23 -1.26 -4.88 120.40 99.20 3dxb s VAL 467 Ca -0.15 -0.87 -0.26 0.00 -1.81 0.00 0.00 61.98 58.89 3dxb s VAL 467 Cb 0.02 -0.30 -0.09 0.00 0.56 0.00 0.00 36.38 36.56 3dxb s VAL 467 CO 0.82 -0.48 0.91 -0.62 -0.31 0.00 0.00 175.10 175.42 3dxb s ASP 468 N -1.46 7.40 0.50 4.85 2.15 -1.26 -4.12 116.67 124.73 3dxb s ASP 468 Ca -0.16 1.81 0.33 0.00 0.43 0.00 0.00 52.55 54.97 3dxb s ASP 468 Cb -0.09 -2.57 1.46 0.00 -0.30 0.00 0.00 42.92 41.42 3dxb s ASP 468 CO -0.01 0.02 1.76 -0.65 -0.17 0.00 0.00 175.17 176.13 3dxb h PRO 469 N 3.53 0.09 0.00 4.34 0.11 -1.93 0.17 132.00 138.32 3dxb h PRO 469 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dxb h PRO 469 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3dxb h PRO 469 CO 0.66 0.06 0.00 0.87 -0.21 0.00 0.00 178.00 179.38 3dxb h LYS 470 N 0.09 0.00 0.00 1.05 6.56 -1.97 -3.16 116.57 119.14 3dxb h LYS 470 Ca 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.22 3dxb h LYS 470 Cb 2.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.92 3dxb h LYS 470 CO -0.11 0.00 0.00 -0.44 -2.06 0.00 0.00 179.45 176.84 3dxb h ASP 471 N 0.00 0.00 -2.94 0.86 3.32 -1.03 -3.46 116.42 113.17 3dxb h ASP 471 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3dxb h ASP 471 Cb 0.79 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.37 3dxb h ASP 471 CO 0.00 0.00 0.78 -0.63 -1.72 0.00 0.00 179.24 177.67 3dxb s ILE 472 N -3.18 3.14 0.00 0.35 1.01 -1.20 -5.01 121.20 116.31 3dxb s ILE 472 Ca 0.09 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.54 3dxb s ILE 472 Cb 0.11 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3dxb s ILE 472 CO 0.57 0.06 0.00 -0.90 0.00 0.00 0.00 174.94 174.66 3dxb n ASP 473 N 4.09 0.53 0.19 3.58 5.68 -1.26 -5.05 116.55 124.32 3dxb n ASP 473 Ca 0.12 -0.76 0.13 0.00 -0.50 0.00 0.00 54.79 53.79 3dxb n ASP 473 Cb 0.41 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.73 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 0.00 0.00 1.38 -1.12 3.32 -2.04 -3.26 116.42 114.71 3dxb h ASP 474 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3dxb h ASP 474 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3dxb h ASP 474 CO 0.00 0.00 -0.64 0.44 -1.72 0.00 0.00 179.24 177.32 3dxb h ASP 475 N 0.00 0.00 -0.43 6.45 5.19 -1.99 -3.40 116.42 122.24 3dxb h ASP 475 Ca 0.00 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.46 3dxb h ASP 475 Cb 0.80 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.27 3dxb h ASP 475 CO 0.00 0.25 0.18 0.25 -3.12 0.00 0.00 179.24 176.80 3dxb h LEU 476 N 0.00 0.22 -0.18 1.55 5.85 -1.95 -1.53 115.31 119.26 3dxb h LEU 476 Ca -0.03 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3dxb h LEU 476 Cb 1.22 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 3dxb h LEU 476 CO 0.03 0.16 0.05 -0.08 -0.34 0.00 0.00 178.44 178.25 3dxb h GLU 477 N 0.36 0.12 -0.43 1.25 4.81 -1.82 -1.26 114.58 117.62 3dxb h GLU 477 Ca 0.20 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3dxb h GLU 477 Cb 0.16 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3dxb h GLU 477 CO -0.18 0.08 0.06 0.78 -0.73 0.00 0.00 179.01 179.02 3dxb h GLY 478 N 0.13 0.71 0.82 1.92 0.00 -1.75 -1.37 103.07 103.52 3dxb h GLY 478 Ca 0.08 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3dxb h GLY 478 CO -0.10 0.38 -0.02 0.83 0.00 0.00 0.00 176.54 177.63 3dxb h GLU 479 N 0.63 -0.07 -0.48 4.80 5.08 -0.92 -2.33 114.58 121.29 3dxb h GLU 479 Ca 0.14 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3dxb h GLU 479 Cb 0.31 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3dxb h GLU 479 CO 0.00 0.12 0.24 0.28 -1.00 0.00 0.00 179.01 178.65 3dxb h VAL 480 N -0.24 0.96 -0.78 3.13 2.07 -1.08 -2.01 116.25 118.29 3dxb h VAL 480 Ca -0.01 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.45 3dxb h VAL 480 Cb 0.22 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 3dxb h VAL 480 CO 0.01 0.09 0.43 0.74 0.02 0.00 0.00 177.57 178.85 3dxb h THR 481 N 0.47 0.88 -0.05 2.57 2.02 -1.18 -0.06 112.91 117.56 3dxb h THR 481 Ca 0.21 -0.24 -0.24 0.00 0.77 0.00 0.00 66.41 66.91 3dxb h THR 481 Cb 0.12 0.10 0.02 0.00 -1.74 0.00 0.00 68.15 66.65 3dxb h THR 481 CO -0.15 0.13 -0.89 -0.08 0.37 0.00 0.00 175.52 174.90 3dxb h GLU 482 N 0.71 0.69 -0.51 6.66 4.57 -1.15 -1.44 114.58 124.11 3dxb h GLU 482 Ca 0.38 -0.68 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 3dxb h GLU 482 Cb 0.38 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 3dxb h GLU 482 CO -0.26 1.27 0.24 0.93 -1.18 0.00 0.00 179.01 180.02 3dxb h GLU 483 N 0.36 0.74 0.00 1.92 5.08 -1.19 -3.02 114.58 118.48 3dxb h GLU 483 Ca -0.10 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3dxb h GLU 483 Cb 1.55 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3dxb h GLU 483 CO 0.18 0.62 0.00 0.00 -1.00 0.00 0.00 179.01 178.80 3dxb n GLY 485 N 0.78 -1.12 0.05 0.00 0.00 -0.55 -2.04 105.19 102.31 3dxb n GLY 485 Ca 0.03 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3dxb n GLY 485 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dxb n LYS 486 N -1.97 0.09 -0.00 1.61 2.85 -1.20 -3.08 118.16 116.46 3dxb n LYS 486 Ca 0.02 0.18 0.08 0.00 -1.05 0.00 0.00 58.31 57.55 3dxb n LYS 486 Cb 0.19 -1.63 -0.10 0.00 -0.65 0.00 0.00 35.03 32.83 3dxb n LYS 486 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3dxb n PHE 487 N -1.80 0.00 -2.31 5.58 3.72 -0.86 -5.08 117.46 116.70 3dxb n PHE 487 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3dxb n PHE 487 Cb 0.30 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 1.41 -0.99 3.66 1.37 0.00 -1.18 -4.62 105.19 104.84 3dxb n GLY 488 Ca 0.03 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.15 3.66 -0.32 4.61 0.00 -1.26 -4.21 121.76 123.09 3dxb s ALA 489 Ca 0.00 0.39 -0.18 0.00 0.00 0.00 0.00 51.96 52.17 3dxb s ALA 489 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 3dxb s ALA 489 CO 0.00 -1.12 0.53 0.08 0.00 0.00 0.00 175.76 175.25 3dxb s VAL 490 N 3.36 5.02 -0.09 0.00 1.01 -1.26 -1.60 120.40 126.84 3dxb s VAL 490 Ca 0.52 0.59 -0.26 0.00 0.00 0.00 0.00 61.98 62.83 3dxb s VAL 490 Cb -0.20 -3.93 -0.22 0.00 0.00 0.00 0.00 36.38 32.03 3dxb s VAL 490 CO 0.13 -0.11 0.92 0.78 0.00 0.00 0.00 175.10 176.82 3dxb h ASN 491 N 8.29 -0.02 -4.23 3.32 4.21 -0.91 -3.48 115.58 122.75 3dxb h ASN 491 Ca -0.28 -0.72 -0.07 0.00 1.21 0.00 0.00 56.30 56.44 3dxb h ASN 491 Cb 1.13 0.01 -0.21 0.00 -1.12 0.00 0.00 38.32 38.12 3dxb h ASN 491 CO 0.76 0.74 0.03 -0.60 -1.29 0.00 0.00 177.43 177.07 3dxb s ARG 492 N -3.02 0.79 -0.13 0.81 3.52 -1.16 -5.02 118.95 114.74 3dxb s ARG 492 Ca -0.17 0.68 0.02 0.00 -0.13 0.00 0.00 55.73 56.14 3dxb s ARG 492 Cb -0.01 0.38 0.01 0.00 -1.56 0.00 0.00 34.95 33.77 3dxb s ARG 492 CO 0.64 -0.14 -0.19 0.08 -0.81 0.00 0.00 175.30 174.87 3dxb s VAL 493 N -0.07 1.84 -0.21 7.11 1.01 -1.26 -1.15 120.40 127.66 3dxb s VAL 493 Ca -0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3dxb s VAL 493 Cb -0.04 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3dxb s VAL 493 CO 0.03 0.51 -0.08 -0.63 0.00 0.00 0.00 175.10 174.92 3dxb s ILE 494 N 0.94 3.01 -0.68 2.22 1.01 -0.33 -4.98 121.20 122.39 3dxb s ILE 494 Ca -0.05 -0.65 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 3dxb s ILE 494 Cb -0.15 -2.37 0.06 0.00 0.01 0.00 0.00 42.46 40.02 3dxb s ILE 494 CO -0.03 0.43 1.02 -0.63 0.00 0.00 0.00 174.94 175.73 3dxb s ILE 495 N 1.42 4.23 -0.17 2.92 -1.09 -1.26 -1.24 121.20 126.00 3dxb s ILE 495 Ca 0.05 -0.25 -0.07 0.00 -2.23 0.00 0.00 60.65 58.16 3dxb s ILE 495 Cb -0.14 -4.73 -0.04 0.00 -1.58 0.00 0.00 42.46 35.97 3dxb s ILE 495 CO -0.06 -1.53 0.05 -0.47 -1.23 0.00 0.00 174.94 171.71 3dxb s TYR 496 N 4.33 3.24 -0.18 3.97 5.04 -0.18 -4.99 117.35 128.59 3dxb s TYR 496 Ca 0.24 0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.89 3dxb s TYR 496 Cb -0.15 -2.05 -0.03 0.00 0.35 0.00 0.00 41.96 40.08 3dxb s TYR 496 CO 0.11 0.17 -0.02 -0.65 -1.34 0.00 0.00 175.55 173.82 3dxb s GLN 497 N 0.26 3.65 -0.06 4.97 -0.21 -1.26 -0.22 119.66 126.79 3dxb s GLN 497 Ca 0.03 -0.52 0.02 0.00 0.02 0.00 0.00 55.36 54.91 3dxb s GLN 497 Cb -0.12 -3.00 0.01 0.00 1.00 0.00 0.00 33.01 30.90 3dxb s GLN 497 CO 0.01 0.12 -0.11 -2.00 -2.12 0.00 0.00 175.29 171.19 3dxb s GLU 498 N 0.69 1.52 0.02 2.91 2.12 0.25 -4.97 118.70 121.25 3dxb s GLU 498 Ca -0.01 -0.36 -0.27 0.00 0.36 0.00 0.00 54.97 54.69 3dxb s GLU 498 Cb -0.14 -1.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.92 3dxb s GLU 498 CO 0.02 0.02 0.87 0.21 -0.54 0.00 0.00 175.26 175.83 3dxb s LYS 499 N 0.68 4.55 -1.09 4.30 2.20 -1.26 -0.59 119.74 128.52 3dxb s LYS 499 Ca -0.14 1.23 -0.10 0.00 -0.36 0.00 0.00 55.97 56.61 3dxb s LYS 499 Cb -0.15 -3.41 0.26 0.00 -1.51 0.00 0.00 37.83 33.02 3dxb s LYS 499 CO 0.03 0.12 1.11 -0.65 -0.36 0.00 0.00 175.35 175.60 3dxb s GLN 500 N 0.46 4.14 0.00 4.03 -1.52 0.11 -4.93 119.66 121.95 3dxb s GLN 500 Ca 0.45 -3.09 0.00 0.00 -1.95 0.00 0.00 55.36 50.77 3dxb s GLN 500 Cb -0.21 -4.59 0.00 0.00 -0.22 0.00 0.00 33.01 27.99 3dxb s GLN 500 CO 0.25 -1.29 0.00 0.41 -0.25 0.00 0.00 175.29 174.41 3dxb n GLY 501 N 2.96 3.20 1.58 3.09 0.00 -1.26 -4.10 105.19 110.66 3dxb n GLY 501 Ca 0.24 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 3dxb n GLY 501 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dxb n GLU 502 N -0.83 1.58 -3.23 1.61 0.28 -1.26 -4.74 120.64 114.06 3dxb n GLU 502 Ca 0.00 -1.37 -0.23 0.00 -0.16 0.00 0.00 57.16 55.40 3dxb n GLU 502 Cb 0.00 -1.54 -0.07 0.00 1.43 0.00 0.00 31.44 31.26 3dxb n GLU 502 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 3dxb n GLU 503 N -0.21 0.44 0.00 3.44 0.28 -1.26 -5.04 120.64 118.28 3dxb n GLU 503 Ca 0.27 -3.01 0.00 0.00 -0.16 0.00 0.00 57.16 54.27 3dxb n GLU 503 Cb 1.01 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 32.41 3dxb n GLU 503 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3dxb n GLU 504 N 2.25 0.00 0.00 3.44 4.07 -1.26 0.31 120.64 129.45 3dxb n GLU 504 Ca 0.24 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.49 3dxb n GLU 504 Cb 0.51 0.00 0.78 0.00 -0.06 0.00 0.00 31.44 32.68 3dxb n GLU 504 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3dxb n ASP 505 N 0.02 0.21 -4.58 4.31 5.68 -1.26 -4.92 116.55 116.01 3dxb n ASP 505 Ca 0.00 -0.66 -0.41 0.00 -0.50 0.00 0.00 54.79 53.21 3dxb n ASP 505 Cb 0.00 -0.11 0.01 0.00 -1.14 0.00 0.00 41.12 39.88 3dxb n ASP 505 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dxb n ALA 506 N -1.00 -0.14 -1.81 2.12 0.00 0.93 -4.93 120.51 115.68 3dxb n ALA 506 Ca 0.18 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.45 3dxb n ALA 506 Cb 0.21 -2.02 -0.06 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.95 4.72 -0.20 0.00 2.12 -1.26 -4.72 118.70 117.42 3dxb s GLU 507 Ca 0.64 1.37 -0.13 0.00 0.36 0.00 0.00 54.97 57.21 3dxb s GLU 507 Cb -0.57 -3.16 -0.05 0.00 0.26 0.00 0.00 34.13 30.62 3dxb s GLU 507 CO 0.57 0.47 0.27 0.42 -0.54 0.00 0.00 175.26 176.44 3dxb s ILE 508 N -1.28 5.30 0.24 -3.70 1.01 -1.26 0.04 121.20 121.54 3dxb s ILE 508 Ca 0.42 0.44 0.12 0.00 0.00 0.00 0.00 60.65 61.63 3dxb s ILE 508 Cb -0.24 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 3dxb s ILE 508 CO 0.29 0.34 -0.22 0.27 0.00 0.00 0.00 174.94 175.62 3dxb s ILE 509 N 0.91 2.42 -0.18 2.92 -5.25 0.24 -4.66 121.20 117.59 3dxb s ILE 509 Ca 0.13 -2.23 -0.06 0.00 -0.99 0.00 0.00 60.65 57.51 3dxb s ILE 509 Cb -0.13 -2.21 -0.03 0.00 2.95 0.00 0.00 42.46 43.03 3dxb s ILE 509 CO 0.05 -0.26 0.02 -0.69 -1.79 0.00 0.00 174.94 172.26 3dxb s VAL 510 N -2.11 4.28 -0.20 8.37 1.01 -1.26 -0.58 120.40 129.91 3dxb s VAL 510 Ca 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 3dxb s VAL 510 Cb -0.06 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 3dxb s VAL 510 CO 0.12 0.46 -0.06 -0.54 0.00 0.00 0.00 175.10 175.08 3dxb s LYS 511 N 0.55 3.38 -0.46 2.72 1.02 0.69 -4.23 119.74 123.42 3dxb s LYS 511 Ca 0.00 -0.64 -0.13 0.00 0.02 0.00 0.00 55.97 55.22 3dxb s LYS 511 Cb -0.14 -2.94 0.08 0.00 -0.52 0.00 0.00 37.83 34.31 3dxb s LYS 511 CO 0.02 -0.12 0.35 0.42 -0.92 0.00 0.00 175.35 175.10 3dxb s ILE 512 N 1.27 4.86 0.01 2.17 1.01 -0.67 -1.01 121.20 128.85 3dxb s ILE 512 Ca 0.03 -1.21 -0.25 0.00 0.00 0.00 0.00 60.65 59.22 3dxb s ILE 512 Cb -0.14 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 3dxb s ILE 512 CO -0.02 -0.57 0.76 -0.36 0.00 0.00 0.00 174.94 174.74 3dxb s PHE 513 N 1.56 3.69 -0.23 3.97 0.08 -0.38 -0.11 117.98 126.56 3dxb s PHE 513 Ca 0.04 1.42 -0.01 0.00 0.12 0.00 0.00 56.93 58.50 3dxb s PHE 513 Cb -0.24 -2.83 0.07 0.00 -0.57 0.00 0.00 43.02 39.45 3dxb s PHE 513 CO 0.05 0.21 0.01 0.08 -0.10 0.00 0.00 175.22 175.47 3dxb s VAL 514 N 0.25 0.99 -0.16 -0.44 1.01 0.90 -1.19 120.40 121.76 3dxb s VAL 514 Ca 0.39 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 3dxb s VAL 514 Cb -0.20 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3dxb s VAL 514 CO 0.22 -0.25 0.37 -0.70 0.00 0.00 0.00 175.10 174.74 3dxb s GLU 515 N 1.63 4.25 0.42 2.72 2.12 -0.30 -0.48 118.70 129.05 3dxb s GLU 515 Ca -0.01 0.21 0.08 0.00 0.36 0.00 0.00 54.97 55.61 3dxb s GLU 515 Cb -0.18 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 3dxb s GLU 515 CO -0.10 0.12 0.46 -0.06 -0.54 0.00 0.00 175.26 175.15 3dxb s PHE 516 N 0.80 2.76 0.23 5.30 0.40 -0.27 -0.27 117.98 126.93 3dxb s PHE 516 Ca 0.20 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 3dxb s PHE 516 Cb -0.14 -2.27 0.25 0.00 0.51 0.00 0.00 43.02 41.38 3dxb s PHE 516 CO 0.07 -0.25 1.59 0.66 0.70 0.00 0.00 175.22 177.98 3dxb h SER 517 N 0.85 0.46 -4.56 1.36 4.64 -1.61 -3.43 113.55 111.26 3dxb h SER 517 Ca -0.41 -0.22 -0.15 0.00 -0.47 0.00 0.00 61.79 60.54 3dxb h SER 517 Cb 1.27 -0.13 -0.22 0.00 -0.31 0.00 0.00 62.40 63.01 3dxb h SER 517 CO 0.52 0.87 -0.43 -0.51 -0.87 0.00 0.00 176.83 176.41 3dxb s ILE 518 N -4.06 0.05 0.65 0.95 2.07 -1.26 -5.05 121.20 114.54 3dxb s ILE 518 Ca -0.06 -0.39 0.37 0.00 -1.41 0.00 0.00 60.65 59.16 3dxb s ILE 518 Cb 0.12 -0.43 0.37 0.00 0.13 0.00 0.00 42.46 42.65 3dxb s ILE 518 CO 0.81 -0.22 2.13 0.00 -1.91 0.00 0.00 174.94 175.75 3dxb h ALA 519 N 4.73 1.17 0.00 1.50 0.00 -1.86 -0.60 119.26 124.20 3dxb h ALA 519 Ca -0.29 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3dxb h ALA 519 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3dxb h ALA 519 CO 0.39 -0.17 -0.23 0.66 0.00 0.00 0.00 179.25 179.90 3dxb h SER 520 N 0.00 0.00 0.04 0.00 4.64 -1.95 -2.07 113.55 114.22 3dxb h SER 520 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3dxb h SER 520 Cb 0.34 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3dxb h SER 520 CO 0.00 0.23 -0.77 -0.33 -0.87 0.00 0.00 176.83 175.10 3dxb h GLU 521 N 0.00 0.44 -0.82 4.77 5.08 -1.36 -2.81 114.58 119.88 3dxb h GLU 521 Ca -0.00 -0.53 0.03 0.00 -1.00 0.00 0.00 59.36 57.85 3dxb h GLU 521 Cb 1.07 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 3dxb h GLU 521 CO 0.03 1.19 0.53 1.15 -1.00 0.00 0.00 179.01 180.91 3dxb h THR 522 N -0.06 1.13 -0.16 1.13 2.02 -1.55 -0.10 112.91 115.32 3dxb h THR 522 Ca -0.11 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 3dxb h THR 522 Cb 1.49 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3dxb h THR 522 CO 0.15 0.19 0.08 -0.74 0.37 0.00 0.00 175.52 175.56 3dxb h HIS 523 N 1.03 0.23 -0.42 3.16 -0.00 -1.44 -0.44 115.15 117.26 3dxb h HIS 523 Ca 0.33 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.73 3dxb h HIS 523 Cb 0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 27.30 3dxb h HIS 523 CO -0.02 0.26 0.18 0.87 -0.00 0.00 0.00 177.93 179.21 3dxb h LYS 524 N 0.13 0.36 -0.41 5.26 1.57 -1.20 -2.14 116.57 120.14 3dxb h LYS 524 Ca 0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3dxb h LYS 524 Cb 0.11 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3dxb h LYS 524 CO -0.01 0.24 0.27 0.00 -0.57 0.00 0.00 179.45 179.38 3dxb h ALA 525 N 1.25 0.52 -0.69 3.86 0.00 -0.80 -2.58 119.26 120.81 3dxb h ALA 525 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3dxb h ALA 525 Cb 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3dxb h ALA 525 CO -0.16 -0.03 0.40 0.82 0.00 0.00 0.00 179.25 180.28 3dxb h ILE 526 N 0.55 1.20 -0.68 0.00 2.04 -0.92 -1.01 117.51 118.71 3dxb h ILE 526 Ca 0.15 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.61 3dxb h ILE 526 Cb -0.06 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.23 3dxb h ILE 526 CO -0.03 0.21 0.37 1.56 0.00 0.00 0.00 178.15 180.26 3dxb h GLN 527 N 0.94 0.66 0.00 2.37 7.50 -1.11 -1.10 115.11 124.37 3dxb h GLN 527 Ca 0.25 -0.04 -0.13 0.00 0.50 0.00 0.00 58.65 59.22 3dxb h GLN 527 Cb -0.01 -0.15 -0.02 0.00 0.05 0.00 0.00 27.48 27.35 3dxb h GLN 527 CO -0.04 0.44 -0.89 0.00 -1.50 0.00 0.00 178.83 176.84 3dxb h ALA 528 N 1.36 0.64 0.00 3.87 0.00 -1.23 -3.38 119.26 120.53 3dxb h ALA 528 Ca 0.31 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 3dxb h ALA 528 Cb 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3dxb h ALA 528 CO -0.19 0.77 -2.07 1.28 0.00 0.00 0.00 179.25 179.03 3dxb n LEU 529 N -3.10 0.12 -4.70 0.00 4.32 -0.40 -4.83 117.00 108.41 3dxb n LEU 529 Ca -0.03 0.05 -0.42 0.00 -0.02 0.00 0.00 56.01 55.59 3dxb n LEU 529 Cb 0.78 0.22 -0.03 0.00 -1.62 0.00 0.00 43.42 42.77 3dxb n LEU 529 CO 0.42 0.22 1.19 0.21 -1.22 0.00 0.00 177.39 178.21 3dxb s ASN 530 N -5.09 6.70 0.00 -1.43 2.47 -0.43 -2.57 114.94 114.60 3dxb s ASN 530 Ca -0.08 2.42 0.00 0.00 0.42 0.00 0.00 52.86 55.62 3dxb s ASN 530 Cb 0.10 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 3dxb s ASN 530 CO 0.86 -0.78 0.00 0.61 -3.72 0.00 0.00 177.10 174.08 3dxb n GLY 531 N 3.73 0.85 3.79 1.21 0.00 -0.12 -4.92 105.19 109.74 3dxb n GLY 531 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.25 4.03 -0.17 1.61 0.52 -1.06 -4.67 118.95 118.97 3dxb s ARG 532 Ca 0.00 1.46 -0.16 0.00 -0.52 0.00 0.00 55.73 56.52 3dxb s ARG 532 Cb 0.00 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 3dxb s ARG 532 CO 0.00 -0.25 0.37 -1.58 0.02 0.00 0.00 175.30 173.87 3dxb s TRP 533 N -1.77 3.43 -0.32 -0.53 0.52 -1.26 -0.18 118.94 118.83 3dxb s TRP 533 Ca 0.61 0.66 0.02 0.00 0.02 0.00 0.00 56.10 57.41 3dxb s TRP 533 Cb -0.20 -2.46 0.10 0.00 -1.15 0.00 0.00 33.47 29.75 3dxb s TRP 533 CO 0.25 0.11 0.05 -0.06 0.02 0.00 0.00 176.95 177.33 3dxb s PHE 534 N 0.87 2.95 -1.30 -1.98 0.40 0.18 -4.89 117.98 114.20 3dxb s PHE 534 Ca 0.19 -2.46 -0.06 0.00 -0.60 0.00 0.00 56.93 54.00 3dxb s PHE 534 Cb -0.14 -2.39 -0.00 0.00 0.51 0.00 0.00 43.02 41.00 3dxb s PHE 534 CO 0.07 -0.91 0.60 0.00 0.70 0.00 0.00 175.22 175.68 3dxb n ALA 535 N 4.49 -2.16 0.00 5.36 0.00 -1.26 -3.07 120.51 123.86 3dxb n ALA 535 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3dxb n ALA 535 Cb 0.42 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 -1.78 0.46 2.90 0.00 0.00 -1.26 -5.08 105.19 100.44 3dxb n GLY 536 Ca -0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.90 0.13 -0.33 1.61 1.70 -1.18 -5.12 118.95 114.86 3dxb s ARG 537 Ca 0.00 -0.06 -0.23 0.00 -0.47 0.00 0.00 55.73 54.97 3dxb s ARG 537 Cb 0.00 -0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.26 3dxb s ARG 537 CO 0.00 0.03 0.78 0.21 -1.08 0.00 0.00 175.30 175.24 3dxb s LYS 538 N -0.04 3.86 0.21 3.89 2.20 -1.26 -0.65 119.74 127.95 3dxb s LYS 538 Ca 0.01 0.44 -0.26 0.00 -0.36 0.00 0.00 55.97 55.80 3dxb s LYS 538 Cb -0.01 -3.77 -0.08 0.00 -1.51 0.00 0.00 37.83 32.46 3dxb s LYS 538 CO -0.00 -0.76 0.84 0.08 -0.36 0.00 0.00 175.35 175.15 3dxb s VAL 539 N 3.02 4.28 -0.30 4.02 1.01 0.74 -4.81 120.40 128.36 3dxb s VAL 539 Ca 0.32 1.79 -0.14 0.00 0.00 0.00 0.00 61.98 63.95 3dxb s VAL 539 Cb -0.14 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 3dxb s VAL 539 CO 0.15 0.45 0.31 -0.69 0.00 0.00 0.00 175.10 175.32 3dxb s VAL 540 N -1.24 5.22 -0.22 2.92 1.01 -0.35 -0.94 120.40 126.80 3dxb s VAL 540 Ca 0.39 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 3dxb s VAL 540 Cb -0.23 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3dxb s VAL 540 CO 0.27 0.10 0.01 0.00 0.00 0.00 0.00 175.10 175.49 3dxb s ALA 541 N 1.95 3.04 0.19 5.51 0.00 -1.26 -0.27 121.76 130.92 3dxb s ALA 541 Ca 0.11 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 3dxb s ALA 541 Cb -0.16 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.13 3dxb s ALA 541 CO 0.11 -0.29 0.47 -1.83 0.00 0.00 0.00 175.76 174.21 3dxb s GLU 542 N 1.25 1.35 0.41 0.00 -1.05 -0.85 -4.63 118.70 115.17 3dxb s GLU 542 Ca 0.04 -0.97 -0.25 0.00 -0.15 0.00 0.00 54.97 53.64 3dxb s GLU 542 Cb -0.15 0.48 -0.08 0.00 -0.44 0.00 0.00 34.13 33.95 3dxb s GLU 542 CO 0.01 -0.56 1.20 0.14 0.95 0.00 0.00 175.26 177.01 3dxb s VAL 543 N -3.91 3.01 -0.03 1.83 -7.23 -1.26 0.09 120.40 112.90 3dxb s VAL 543 Ca 0.12 0.85 0.07 0.00 -1.81 0.00 0.00 61.98 61.21 3dxb s VAL 543 Cb -0.00 -3.48 -0.02 0.00 0.56 0.00 0.00 36.38 33.45 3dxb s VAL 543 CO -0.01 0.08 -0.24 -0.47 -0.31 0.00 0.00 175.10 174.14 3dxb s TYR 544 N -1.39 2.23 -0.22 2.82 5.04 0.04 -4.71 117.35 121.16 3dxb s TYR 544 Ca 0.58 -0.49 -0.34 0.00 -2.44 0.00 0.00 57.07 54.38 3dxb s TYR 544 Cb -0.32 -1.45 -0.11 0.00 0.35 0.00 0.00 41.96 40.44 3dxb s TYR 544 CO 0.40 -0.09 2.05 -3.47 -1.34 0.00 0.00 175.55 173.11 3dxb n ASP 545 N 2.62 2.86 -0.29 4.32 2.03 -1.26 -4.39 116.55 122.44 3dxb n ASP 545 Ca -0.16 0.63 0.03 0.00 0.52 0.00 0.00 54.79 55.80 3dxb n ASP 545 Cb 0.52 -1.35 0.16 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 11.37 0.76 -0.48 -0.67 4.15 -1.91 -1.95 115.11 126.38 3dxb h GLN 546 Ca -0.39 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 58.87 3dxb h GLN 546 Cb 1.29 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 3dxb h GLN 546 CO 0.98 0.51 -0.17 1.49 -1.93 0.00 0.00 178.83 179.71 3dxb h GLU 547 N 0.79 0.94 -0.08 1.69 4.81 -1.98 0.38 114.58 121.12 3dxb h GLU 547 Ca 0.39 -0.37 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3dxb h GLU 547 Cb 0.35 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3dxb h GLU 547 CO -0.24 1.03 0.02 0.00 -0.73 0.00 0.00 179.01 179.09 3dxb h ARG 548 N 0.83 0.06 -0.16 1.92 3.08 -1.76 -1.82 114.38 116.53 3dxb h ARG 548 Ca 0.12 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.18 3dxb h ARG 548 Cb 0.72 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3dxb h ARG 548 CO 0.06 0.04 0.07 0.35 -1.07 0.00 0.00 179.97 179.41 3dxb h PHE 549 N 0.06 0.12 -0.40 3.04 3.57 -1.07 0.38 116.94 122.65 3dxb h PHE 549 Ca 0.03 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.64 3dxb h PHE 549 Cb 0.02 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3dxb h PHE 549 CO -0.10 0.07 0.28 -0.44 -2.23 0.00 0.00 178.31 175.89 3dxb h ASP 550 N 0.15 0.08 -0.56 0.41 3.32 -0.15 -1.25 116.42 118.42 3dxb h ASP 550 Ca 0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3dxb h ASP 550 Cb 0.03 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3dxb h ASP 550 CO -0.06 0.05 0.02 0.59 -1.72 0.00 0.00 179.24 178.12 3dxb n ASN 551 N -4.44 5.47 -2.13 6.45 3.02 -0.69 -4.94 115.26 118.00 3dxb n ASN 551 Ca 0.06 -2.90 -0.19 0.00 -0.03 0.00 0.00 54.58 51.52 3dxb n ASN 551 Cb 0.41 -0.68 -0.01 0.00 -0.61 0.00 0.00 39.78 38.89 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 0.55 -5.41 -4.30 6.41 7.64 -0.47 -4.98 113.62 113.06 3dxb n SER 552 Ca 0.27 -0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.71 3dxb n SER 552 Cb 1.17 -4.47 -0.08 0.00 -1.01 0.00 0.00 64.21 59.82 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 -2.16 5.89 -0.16 6.43 2.15 0.13 -4.91 116.67 124.04 3dxb s ASP 553 Ca 0.00 -1.58 0.16 0.00 0.43 0.00 0.00 52.55 51.56 3dxb s ASP 553 Cb 0.00 -2.09 0.53 0.00 -0.30 0.00 0.00 42.92 41.07 3dxb s ASP 553 CO 0.00 -0.65 1.44 0.18 -0.17 0.00 0.00 175.17 175.97 3dxb n LEU 554 N 5.05 3.96 0.05 -1.34 4.77 -1.26 -3.58 117.00 124.65 3dxb n LEU 554 Ca -0.11 -2.86 0.12 0.00 -0.03 0.00 0.00 56.01 53.13 3dxb n LEU 554 Cb 0.42 -0.52 0.28 0.00 -2.33 0.00 0.00 43.42 41.27 3dxb n LEU 554 CO 0.45 0.68 0.53 -1.54 -1.33 0.00 0.00 177.39 176.18 3dxb n SER 555 N -0.23 0.62 -0.10 -1.43 3.41 -1.26 -5.08 113.62 109.55 3dxb n SER 555 Ca 0.21 0.19 0.16 0.00 -0.26 0.00 0.00 58.87 59.16 3dxb n SER 555 Cb 0.86 -0.08 0.86 0.00 -0.26 0.00 0.00 64.21 65.59 3dxb n SER 555 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88