#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iaz n THR 343 N 0.00 -0.35 -4.19 -0.72 5.66 -1.26 -5.13 114.28 108.28 3iaz n THR 343 Ca 0.00 -3.68 -0.33 0.00 -3.05 0.00 0.00 64.05 56.99 3iaz n THR 343 Cb 0.00 -0.59 -0.08 0.00 -1.55 0.00 0.00 70.33 68.11 3iaz n THR 343 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3iaz s ARG 344 N -1.27 2.90 -0.07 1.09 3.52 -1.26 -4.89 118.95 118.96 3iaz s ARG 344 Ca 0.35 -0.57 0.03 0.00 -0.13 0.00 0.00 55.73 55.41 3iaz s ARG 344 Cb 0.25 -2.75 0.01 0.00 -1.56 0.00 0.00 34.95 30.91 3iaz s ARG 344 CO -0.11 0.63 -0.17 0.08 -0.81 0.00 0.00 175.30 174.92 3iaz s VAL 345 N -1.15 1.49 -0.38 7.11 1.01 -0.50 -5.03 120.40 122.95 3iaz s VAL 345 Ca 0.21 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 3iaz s VAL 345 Cb -0.12 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.95 3iaz s VAL 345 CO 0.12 0.43 0.45 -0.69 0.00 0.00 0.00 175.10 175.42 3iaz s VAL 346 N 0.45 5.07 0.30 2.92 1.01 -1.26 -0.93 120.40 127.95 3iaz s VAL 346 Ca -0.14 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 3iaz s VAL 346 Cb -0.16 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 3iaz s VAL 346 CO 0.05 -0.29 0.75 0.86 0.00 0.00 0.00 175.10 176.47 3iaz s TRP 347 N 2.22 3.46 -0.22 5.22 -0.11 0.62 -0.76 118.94 129.36 3iaz s TRP 347 Ca 0.14 1.31 -0.07 0.00 1.22 0.00 0.00 56.10 58.71 3iaz s TRP 347 Cb -0.16 -2.59 -0.03 0.00 -1.50 0.00 0.00 33.47 29.19 3iaz s TRP 347 CO 0.13 0.16 0.05 0.00 -4.62 0.00 0.00 176.95 172.67 3iaz s ALA 349 N 1.17 3.43 -0.38 0.00 0.00 0.15 -4.76 121.76 121.37 3iaz s ALA 349 Ca 0.04 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 3iaz s ALA 349 Cb -0.14 -1.52 0.03 0.00 0.00 0.00 0.00 23.12 21.49 3iaz s ALA 349 CO 0.03 0.64 0.22 0.08 0.00 0.00 0.00 175.76 176.72 3iaz s VAL 350 N -1.05 4.65 0.00 0.00 1.01 -1.26 -1.36 120.40 122.39 3iaz s VAL 350 Ca 0.18 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3iaz s VAL 350 Cb -0.12 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3iaz s VAL 350 CO 0.08 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.55 3iaz n GLY 351 N 5.01 -1.53 0.24 4.51 0.00 0.12 -4.23 105.19 109.33 3iaz n GLY 351 Ca -0.12 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.33 3iaz n GLY 351 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iaz h PRO 352 N 0.00 0.42 -0.13 1.61 0.11 -1.94 -2.28 132.00 129.79 3iaz h PRO 352 Ca 0.00 -0.13 -0.14 0.00 0.11 0.00 0.00 66.00 65.84 3iaz h PRO 352 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3iaz h PRO 352 CO 0.00 0.59 -0.46 0.93 -0.21 0.00 0.00 178.00 178.85 3iaz h GLU 353 N 0.39 0.55 -0.39 1.05 5.08 -1.96 -2.07 114.58 117.22 3iaz h GLU 353 Ca 0.07 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 57.97 3iaz h GLU 353 Cb 0.53 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3iaz h GLU 353 CO 0.03 1.03 0.04 0.93 -1.00 0.00 0.00 179.01 180.05 3iaz h GLU 354 N 0.17 0.60 -0.33 2.33 5.08 -1.70 -2.53 114.58 118.21 3iaz h GLU 354 Ca -0.02 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3iaz h GLU 354 Cb 1.09 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3iaz h GLU 354 CO 0.10 0.60 0.17 0.37 -1.00 0.00 0.00 179.01 179.25 3iaz h GLN 355 N 0.58 0.46 -0.56 2.33 4.15 -1.28 0.33 115.11 121.13 3iaz h GLN 355 Ca 0.13 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.51 3iaz h GLN 355 Cb 0.31 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 3iaz h GLN 355 CO 0.01 0.40 0.34 -0.22 -1.93 0.00 0.00 178.83 177.43 3iaz h LYS 356 N 0.40 0.66 -0.65 1.69 3.64 -1.20 -0.20 116.57 120.93 3iaz h LYS 356 Ca 0.11 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3iaz h LYS 356 Cb 0.07 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3iaz h LYS 356 CO -0.02 0.44 0.09 -0.22 -2.27 0.00 0.00 179.45 177.47 3iaz h LYS 357 N 0.68 1.08 -0.85 1.90 3.64 -1.14 -2.75 116.57 119.14 3iaz h LYS 357 Ca 0.22 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3iaz h LYS 357 Cb 0.01 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 3iaz h LYS 357 CO -0.09 1.00 0.51 0.00 -2.27 0.00 0.00 179.45 178.60 3iaz h GLN 359 N 1.17 1.11 -0.53 0.00 4.20 -0.76 0.19 115.11 120.50 3iaz h GLN 359 Ca 0.30 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 3iaz h GLN 359 Cb -0.03 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 3iaz h GLN 359 CO -0.06 0.78 0.20 1.96 -0.67 0.00 0.00 178.83 181.04 3iaz h GLN 360 N 1.12 0.80 -0.64 1.46 4.20 -1.24 0.31 115.11 121.12 3iaz h GLN 360 Ca 0.29 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 3iaz h GLN 360 Cb -0.05 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 3iaz h GLN 360 CO -0.06 0.71 0.26 2.35 -0.67 0.00 0.00 178.83 181.43 3iaz h TRP 361 N 0.72 0.97 0.22 2.96 7.01 -0.87 -0.81 115.95 126.15 3iaz h TRP 361 Ca 0.17 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 3iaz h TRP 361 Cb 0.23 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 26.99 3iaz h TRP 361 CO 0.01 0.76 -0.14 1.03 -2.79 0.00 0.00 178.44 177.31 3iaz h SER 362 N 0.90 -0.35 -0.26 2.65 0.87 -0.20 -0.76 113.55 116.39 3iaz h SER 362 Ca 0.21 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.86 3iaz h SER 362 Cb 0.20 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.20 3iaz h SER 362 CO -0.02 -0.23 -0.28 -0.61 -0.53 0.00 0.00 176.83 175.17 3iaz h GLN 363 N -0.35 -0.27 0.00 2.24 4.15 -0.82 -1.23 115.11 118.82 3iaz h GLN 363 Ca -0.02 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3iaz h GLN 363 Cb 0.30 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3iaz h GLN 363 CO 0.02 -0.18 0.00 1.96 -1.93 0.00 0.00 178.83 178.70 3iaz h GLN 364 N -0.28 0.00 -0.01 1.69 1.08 -0.93 -2.50 115.11 114.16 3iaz h GLN 364 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3iaz h GLN 364 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3iaz h GLN 364 CO -0.42 0.00 -0.08 -1.13 -0.95 0.00 0.00 178.83 176.25 3iaz n SER 365 N -2.68 1.56 -1.84 1.46 3.41 -0.31 -4.91 113.62 110.32 3iaz n SER 365 Ca 0.02 -1.41 -0.15 0.00 -0.26 0.00 0.00 58.87 57.07 3iaz n SER 365 Cb 0.29 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3iaz n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iaz n GLY 366 N 1.24 -0.24 2.40 5.00 0.00 -0.94 -2.30 105.19 110.35 3iaz n GLY 366 Ca 0.16 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 3iaz n GLY 366 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iaz n GLN 367 N -2.60 -1.49 0.25 1.61 3.00 -0.52 -4.86 117.38 112.76 3iaz n GLN 367 Ca -0.16 0.97 0.13 0.00 -0.01 0.00 0.00 57.00 57.93 3iaz n GLN 367 Cb 0.63 -5.49 0.60 0.00 0.00 0.00 0.00 30.24 25.97 3iaz n GLN 367 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 3iaz h ASN 368 N 0.00 0.00 -4.09 1.08 2.35 -1.70 -3.41 115.58 109.81 3iaz h ASN 368 Ca -0.44 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 54.68 3iaz h ASN 368 Cb 1.32 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.38 3iaz h ASN 368 CO 0.54 0.14 -0.86 -0.69 -1.65 0.00 0.00 177.43 174.91 3iaz s VAL 369 N -3.78 1.75 0.36 2.81 1.01 -1.26 -1.41 120.40 119.88 3iaz s VAL 369 Ca -0.00 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3iaz s VAL 369 Cb 0.11 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3iaz s VAL 369 CO 0.59 0.49 0.11 0.28 0.00 0.00 0.00 175.10 176.58 3iaz s THR 370 N -0.18 0.72 -0.03 3.92 -1.32 -0.11 -4.31 115.64 114.34 3iaz s THR 370 Ca -0.01 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.52 3iaz s THR 370 Cb -0.12 -2.51 -0.01 0.00 -1.51 0.00 0.00 72.50 68.36 3iaz s THR 370 CO 0.02 0.00 -0.16 0.00 -2.21 0.00 0.00 174.62 172.27 3iaz s ALA 372 N -0.13 2.15 0.01 0.00 0.00 0.04 -4.92 121.76 118.90 3iaz s ALA 372 Ca 0.01 -1.39 0.04 0.00 0.00 0.00 0.00 51.96 50.62 3iaz s ALA 372 Cb -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 3iaz s ALA 372 CO 0.01 0.45 -0.12 0.99 0.00 0.00 0.00 175.76 177.09 3iaz s THR 373 N -1.16 0.97 0.09 0.00 2.01 -1.26 -0.68 115.64 115.60 3iaz s THR 373 Ca 0.11 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.45 3iaz s THR 373 Cb -0.10 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 3iaz s THR 373 CO 0.05 0.17 -0.03 0.00 -0.69 0.00 0.00 174.62 174.12 3iaz s ALA 374 N -0.47 0.79 -0.22 7.40 0.00 -0.47 -4.94 121.76 123.85 3iaz s ALA 374 Ca 0.03 -1.33 0.22 0.00 0.00 0.00 0.00 51.96 50.89 3iaz s ALA 374 Cb -0.06 0.33 0.46 0.00 0.00 0.00 0.00 23.12 23.85 3iaz s ALA 374 CO 0.00 -0.33 1.64 0.77 0.00 0.00 0.00 175.76 177.83 3iaz h SER 375 N 3.01 0.00 -5.32 0.00 0.02 -1.95 0.38 113.55 109.70 3iaz h SER 375 Ca -0.35 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.46 3iaz h SER 375 Cb 1.16 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.56 3iaz h SER 375 CO 0.64 0.17 -0.55 0.42 -1.14 0.00 0.00 176.83 176.38 3iaz s THR 376 N -3.25 0.12 0.19 -2.27 -4.23 -1.26 -4.48 115.64 100.46 3iaz s THR 376 Ca 0.05 -1.68 -0.10 0.00 -1.18 0.00 0.00 61.69 58.78 3iaz s THR 376 Cb 0.07 -1.80 0.11 0.00 1.34 0.00 0.00 72.50 72.21 3iaz s THR 376 CO 0.67 -0.56 1.73 0.74 -0.54 0.00 0.00 174.62 176.67 3iaz h THR 377 N 2.84 1.25 -1.00 3.99 2.02 -1.90 -1.82 112.91 118.28 3iaz h THR 377 Ca -0.34 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.02 3iaz h THR 377 Cb 1.19 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 3iaz h THR 377 CO 0.58 0.33 0.66 0.44 0.37 0.00 0.00 175.52 177.90 3iaz h ASP 378 N 1.00 1.12 -0.12 4.18 3.32 -1.96 -0.89 116.42 123.06 3iaz h ASP 378 Ca 0.22 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 3iaz h ASP 378 Cb 0.27 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3iaz h ASP 378 CO -0.01 0.79 -0.24 0.44 -1.72 0.00 0.00 179.24 178.50 3iaz h ASP 379 N 1.32 0.57 -0.52 6.45 3.32 -1.84 -2.43 116.42 123.28 3iaz h ASP 379 Ca 0.38 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 3iaz h ASP 379 Cb -0.08 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3iaz h ASP 379 CO -0.10 0.80 0.21 0.00 -1.72 0.00 0.00 179.24 178.42 3iaz h ILE 381 N 0.82 1.24 -0.72 0.00 2.04 -0.74 -1.77 117.51 118.38 3iaz h ILE 381 Ca 0.19 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 3iaz h ILE 381 Cb 0.19 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3iaz h ILE 381 CO -0.01 0.29 0.40 0.58 0.00 0.00 0.00 178.15 179.41 3iaz h VAL 382 N 0.92 1.22 -0.89 1.67 2.07 -1.32 0.20 116.25 120.12 3iaz h VAL 382 Ca 0.22 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3iaz h VAL 382 Cb 0.19 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 3iaz h VAL 382 CO -0.02 0.24 0.52 -0.07 0.02 0.00 0.00 177.57 178.26 3iaz h LEU 383 N 0.99 1.07 -0.45 2.57 3.38 -1.01 -0.64 115.31 121.22 3iaz h LEU 383 Ca 0.25 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3iaz h LEU 383 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3iaz h LEU 383 CO -0.04 0.83 0.08 0.58 0.09 0.00 0.00 178.44 179.98 3iaz h VAL 384 N 1.22 1.24 -0.72 1.22 2.07 -0.72 0.21 116.25 120.77 3iaz h VAL 384 Ca 0.32 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 3iaz h VAL 384 Cb -0.03 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3iaz h VAL 384 CO -0.06 0.31 0.38 -0.07 0.02 0.00 0.00 177.57 178.15 3iaz h LEU 385 N 0.60 0.90 -0.33 2.57 3.38 -0.54 -1.76 115.31 120.12 3iaz h LEU 385 Ca 0.14 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3iaz h LEU 385 Cb 0.37 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3iaz h LEU 385 CO 0.01 0.74 0.00 0.29 0.09 0.00 0.00 178.44 179.56 3iaz n LYS 386 N -4.35 0.22 -0.64 1.13 5.02 -0.29 -4.88 118.16 114.37 3iaz n LYS 386 Ca 0.07 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 3iaz n LYS 386 Cb 0.11 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 3iaz n LYS 386 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iaz n GLY 387 N 0.67 0.64 0.06 0.72 0.00 -0.66 -4.94 105.19 101.69 3iaz n GLY 387 Ca 0.04 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3iaz n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iaz n GLU 388 N -2.64 0.35 -4.16 1.61 1.02 -0.01 -4.85 120.64 111.95 3iaz n GLU 388 Ca 0.00 0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 3iaz n GLU 388 Cb 0.00 -1.69 -0.10 0.00 -0.02 0.00 0.00 31.44 29.63 3iaz n GLU 388 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iaz s ALA 389 N -3.21 0.93 -0.23 0.62 0.00 -1.04 -4.95 121.76 113.89 3iaz s ALA 389 Ca 0.04 -1.34 0.07 0.00 0.00 0.00 0.00 51.96 50.73 3iaz s ALA 389 Cb 0.13 0.19 -0.19 0.00 0.00 0.00 0.00 23.12 23.25 3iaz s ALA 389 CO 0.75 -0.25 -0.13 -0.25 0.00 0.00 0.00 175.76 175.88 3iaz n ASP 390 N -0.03 1.41 -3.55 0.00 8.00 0.06 -4.16 116.55 118.27 3iaz n ASP 390 Ca -0.12 -0.09 -0.07 0.00 0.71 0.00 0.00 54.79 55.21 3iaz n ASP 390 Cb 0.61 0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.75 3iaz n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iaz s ALA 391 N -2.50 -1.79 0.08 2.24 0.00 -1.16 -4.05 121.76 114.58 3iaz s ALA 391 Ca -0.26 0.83 -0.27 0.00 0.00 0.00 0.00 51.96 52.26 3iaz s ALA 391 Cb 0.08 0.46 0.08 0.00 0.00 0.00 0.00 23.12 23.74 3iaz s ALA 391 CO 0.66 -0.76 0.90 -0.48 0.00 0.00 0.00 175.76 176.07 3iaz s LEU 392 N -2.58 -0.30 -0.13 0.00 2.34 -1.19 -1.16 118.68 115.66 3iaz s LEU 392 Ca 0.07 -0.18 -0.13 0.00 0.06 0.00 0.00 54.13 53.94 3iaz s LEU 392 Cb -0.01 2.13 -0.05 0.00 -0.56 0.00 0.00 46.19 47.71 3iaz s LEU 392 CO -0.07 -0.78 0.29 0.21 -1.06 0.00 0.00 176.35 174.95 3iaz s ASN 393 N -2.70 6.49 0.04 1.48 2.47 -1.26 -1.66 114.94 119.79 3iaz s ASN 393 Ca 0.08 0.57 0.06 0.00 0.42 0.00 0.00 52.86 53.99 3iaz s ASN 393 Cb -0.01 -2.18 -0.02 0.00 -1.45 0.00 0.00 41.25 37.59 3iaz s ASN 393 CO -0.04 0.17 -0.17 -0.76 -3.72 0.00 0.00 177.10 172.58 3iaz s LEU 394 N 0.04 2.16 0.56 3.21 1.43 0.12 -4.92 118.68 121.28 3iaz s LEU 394 Ca 0.17 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 52.61 3iaz s LEU 394 Cb -0.13 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.27 3iaz s LEU 394 CO 0.05 0.09 1.13 -0.62 0.23 0.00 0.00 176.35 177.23 3iaz s ASP 395 N -1.13 5.65 0.43 2.29 2.15 -1.26 -1.45 116.67 123.35 3iaz s ASP 395 Ca 0.04 2.16 0.20 0.00 0.43 0.00 0.00 52.55 55.38 3iaz s ASP 395 Cb -0.08 -2.58 1.16 0.00 -0.30 0.00 0.00 42.92 41.12 3iaz s ASP 395 CO 0.01 -1.26 1.82 1.23 -0.17 0.00 0.00 175.17 176.80 3iaz h GLY 396 N 1.07 0.85 1.31 2.66 0.00 -1.83 0.07 103.07 107.21 3iaz h GLY 396 Ca -0.50 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 3iaz h GLY 396 CO 0.57 -0.05 0.33 -1.33 0.00 0.00 0.00 176.54 176.06 3iaz h GLY 397 N 0.34 0.96 2.00 4.60 0.00 -1.89 -1.97 103.07 107.11 3iaz h GLY 397 Ca 0.52 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 3iaz h GLY 397 CO -0.19 0.42 -0.54 -0.97 0.00 0.00 0.00 176.54 175.26 3iaz h TYR 398 N 0.90 0.00 -0.23 5.60 0.05 -1.15 -3.07 116.97 119.07 3iaz h TYR 398 Ca 0.23 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.94 3iaz h TYR 398 Cb 0.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 3iaz h TYR 398 CO 0.01 0.54 -0.16 0.82 -1.05 0.00 0.00 178.16 178.32 3iaz h ILE 399 N 0.00 1.23 -0.40 -2.88 2.04 -0.63 0.45 117.51 117.32 3iaz h ILE 399 Ca -0.01 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 3iaz h ILE 399 Cb 1.29 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 3iaz h ILE 399 CO 0.07 0.32 0.19 0.22 0.00 0.00 0.00 178.15 178.96 3iaz h TYR 400 N 0.37 0.57 0.17 1.37 3.20 -1.32 0.20 116.97 121.53 3iaz h TYR 400 Ca 0.07 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3iaz h TYR 400 Cb 0.50 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3iaz h TYR 400 CO 0.01 0.48 -0.08 1.15 -1.64 0.00 0.00 178.16 178.08 3iaz h THR 401 N 0.51 0.86 -0.87 1.81 2.02 -1.39 -2.56 112.91 113.28 3iaz h THR 401 Ca 0.14 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3iaz h THR 401 Cb 0.12 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 3iaz h THR 401 CO -0.02 0.02 0.50 0.00 0.37 0.00 0.00 175.52 176.40 3iaz h ALA 402 N 0.56 1.24 -0.71 6.16 0.00 -0.85 -2.87 119.26 122.80 3iaz h ALA 402 Ca -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3iaz h ALA 402 Cb 0.21 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3iaz h ALA 402 CO 0.04 0.63 0.34 0.78 0.00 0.00 0.00 179.25 181.03 3iaz h GLY 403 N 1.22 1.09 2.00 0.00 0.00 -0.48 -1.48 103.07 105.43 3iaz h GLY 403 Ca 0.31 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3iaz h GLY 403 CO -0.05 0.52 -0.18 0.50 0.00 0.00 0.00 176.54 177.32 3iaz h LYS 404 N 0.99 0.00 -0.43 4.80 1.79 -1.24 -1.98 116.57 120.50 3iaz h LYS 404 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 3iaz h LYS 404 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3iaz h LYS 404 CO -0.03 0.18 0.00 0.00 -1.08 0.00 0.00 179.45 178.52 3iaz n GLY 406 N 1.26 0.86 3.81 0.00 0.00 -0.75 -5.06 105.19 105.32 3iaz n GLY 406 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3iaz n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaz s LEU 407 N 0.00 3.65 0.06 0.99 1.43 -0.63 -4.04 118.68 120.14 3iaz s LEU 407 Ca 0.00 1.82 0.06 0.00 -1.03 0.00 0.00 54.13 54.99 3iaz s LEU 407 Cb 0.00 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 3iaz s LEU 407 CO 0.00 -0.94 -0.18 0.68 0.23 0.00 0.00 176.35 176.15 3iaz s VAL 408 N -2.30 1.41 0.33 -1.59 -7.23 0.00 -4.11 120.40 106.92 3iaz s VAL 408 Ca 0.64 -1.25 -0.28 0.00 -1.81 0.00 0.00 61.98 59.28 3iaz s VAL 408 Cb -0.15 -1.27 -0.10 0.00 0.56 0.00 0.00 36.38 35.42 3iaz s VAL 408 CO 0.29 -0.01 1.19 -2.16 -0.31 0.00 0.00 175.10 174.10 3iaz s PRO 409 N -1.47 4.39 -0.01 4.82 0.04 -1.26 -1.68 135.00 139.82 3iaz s PRO 409 Ca 0.04 1.95 -0.04 0.00 0.04 0.00 0.00 61.00 62.98 3iaz s PRO 409 Cb -0.09 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 3iaz s PRO 409 CO 0.02 -0.06 -0.09 0.28 0.04 0.00 0.00 177.00 177.20 3iaz n VAL 410 N 0.76 0.86 -4.02 -0.36 0.31 0.16 -4.89 118.33 111.14 3iaz n VAL 410 Ca 0.01 0.14 -0.11 0.00 -0.01 0.00 0.00 64.34 64.36 3iaz n VAL 410 Cb 0.44 -1.69 -0.12 0.00 -0.91 0.00 0.00 33.84 31.57 3iaz n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3iaz s LEU 411 N -6.81 2.22 0.07 7.52 1.43 -1.23 -4.38 118.68 117.49 3iaz s LEU 411 Ca -0.08 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 3iaz s LEU 411 Cb 0.02 -0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.16 3iaz s LEU 411 CO 0.11 -0.22 -0.17 0.00 0.23 0.00 0.00 176.35 176.30 3iaz s ALA 412 N -1.28 2.66 0.18 4.21 0.00 -0.43 -0.34 121.76 126.76 3iaz s ALA 412 Ca -0.12 -1.24 -0.33 0.00 0.00 0.00 0.00 51.96 50.27 3iaz s ALA 412 Cb -0.09 -0.74 -0.13 0.00 0.00 0.00 0.00 23.12 22.16 3iaz s ALA 412 CO -0.00 0.59 1.60 0.39 0.00 0.00 0.00 175.76 178.34 3iaz n GLU 413 N 1.25 2.30 -4.70 0.00 1.02 -0.14 -0.08 120.64 120.29 3iaz n GLU 413 Ca -0.16 0.83 -0.32 0.00 -0.02 0.00 0.00 57.16 57.49 3iaz n GLU 413 Cb 0.52 -2.61 -0.17 0.00 -0.02 0.00 0.00 31.44 29.17 3iaz n GLU 413 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3iaz s ASN 414 N 0.93 3.00 0.52 1.62 3.84 0.20 -4.77 114.94 120.29 3iaz s ASN 414 Ca 0.77 -0.57 0.06 0.00 0.21 0.00 0.00 52.86 53.33 3iaz s ASN 414 Cb -0.63 -1.38 0.03 0.00 -0.55 0.00 0.00 41.25 38.71 3iaz s ASN 414 CO 0.37 0.08 0.43 0.00 -2.79 0.00 0.00 177.10 175.20 3iaz s ARG 415 N 0.79 2.30 0.35 0.43 1.70 -1.26 -0.25 118.95 123.00 3iaz s ARG 415 Ca -0.08 -1.91 -0.27 0.00 -0.47 0.00 0.00 55.73 53.00 3iaz s ARG 415 Cb -0.16 -2.19 -0.12 0.00 -0.57 0.00 0.00 34.95 31.91 3iaz s ARG 415 CO -0.01 -0.57 1.12 1.63 -1.08 0.00 0.00 175.30 176.40 3iaz n LYS 416 N -1.77 1.65 -3.90 3.89 4.01 -1.26 -4.83 118.16 115.95 3iaz n LYS 416 Ca 0.01 0.58 -0.09 0.00 -0.51 0.00 0.00 58.31 58.30 3iaz n LYS 416 Cb 0.64 -2.09 -0.08 0.00 -0.51 0.00 0.00 35.03 32.99 3iaz n LYS 416 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3iaz s SER 417 N -0.51 0.18 -0.09 4.39 1.04 -1.26 -5.05 113.70 112.40 3iaz s SER 417 Ca 0.59 -0.66 -0.07 0.00 0.48 0.00 0.00 55.95 56.29 3iaz s SER 417 Cb -0.61 0.30 -0.28 0.00 0.10 0.00 0.00 66.02 65.53 3iaz s SER 417 CO 0.60 -0.66 0.50 0.77 0.98 0.00 0.00 173.24 175.43 3iaz h SER 418 N 3.02 0.46 -3.00 7.02 4.64 -2.02 -3.46 113.55 120.20 3iaz h SER 418 Ca -0.34 -0.88 -0.45 0.00 -0.47 0.00 0.00 61.79 59.66 3iaz h SER 418 Cb 1.19 -0.15 0.06 0.00 -0.31 0.00 0.00 62.40 63.19 3iaz h SER 418 CO 0.56 1.77 0.08 -0.75 -0.87 0.00 0.00 176.83 177.62 3iaz s LYS 419 N -2.57 2.34 -1.28 4.77 2.20 -1.26 -4.20 119.74 119.73 3iaz s LYS 419 Ca -0.19 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 3iaz s LYS 419 Cb 0.06 -2.35 0.00 0.00 -1.51 0.00 0.00 37.83 34.04 3iaz s LYS 419 CO 0.80 -0.98 0.00 0.72 -0.36 0.00 0.00 175.35 175.54 3iaz n HIS 420 N -2.61 -0.06 0.13 4.03 8.25 -1.26 -4.88 115.22 118.81 3iaz n HIS 420 Ca 0.08 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.73 3iaz n HIS 420 Cb 0.60 -2.75 0.77 0.00 1.12 0.00 0.00 29.99 29.73 3iaz n HIS 420 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3iaz h SER 421 N 0.00 0.00 0.44 0.41 4.64 -1.90 -1.30 113.55 115.84 3iaz h SER 421 Ca -0.25 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.95 3iaz h SER 421 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 3iaz h SER 421 CO 0.36 0.00 -0.54 0.28 -0.87 0.00 0.00 176.83 176.06 3iaz h SER 422 N 0.00 0.13 -3.95 4.97 0.02 -1.94 -3.45 113.55 109.33 3iaz h SER 422 Ca 0.16 -0.07 -0.50 0.00 -0.84 0.00 0.00 61.79 60.54 3iaz h SER 422 Cb 0.81 -0.04 0.04 0.00 0.14 0.00 0.00 62.40 63.36 3iaz h SER 422 CO -0.00 0.64 0.48 -0.76 -1.14 0.00 0.00 176.83 176.05 3iaz s LEU 423 N -7.91 4.17 0.51 5.07 1.43 -0.49 -5.00 118.68 116.45 3iaz s LEU 423 Ca -0.03 2.26 -0.21 0.00 -1.03 0.00 0.00 54.13 55.12 3iaz s LEU 423 Cb 0.13 -4.08 -0.06 0.00 0.03 0.00 0.00 46.19 42.21 3iaz s LEU 423 CO 0.77 -0.65 1.17 -0.62 0.23 0.00 0.00 176.35 177.25 3iaz s ASP 424 N -1.26 5.85 0.24 2.29 2.15 -1.26 -4.80 116.67 119.87 3iaz s ASP 424 Ca 0.58 2.31 -0.05 0.00 0.43 0.00 0.00 52.55 55.81 3iaz s ASP 424 Cb -0.28 -2.60 0.40 0.00 -0.30 0.00 0.00 42.92 40.14 3iaz s ASP 424 CO 0.35 -1.14 1.75 0.00 -0.17 0.00 0.00 175.17 175.96 3iaz h VAL 426 N 0.49 0.47 0.00 0.00 2.07 -1.91 -2.19 116.25 115.18 3iaz h VAL 426 Ca 0.38 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3iaz h VAL 426 Cb 0.52 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3iaz h VAL 426 CO -0.35 0.06 -1.34 0.18 0.02 0.00 0.00 177.57 176.14 3iaz n LEU 427 N -3.63 0.50 -4.75 2.57 4.77 -0.68 -1.16 117.00 114.62 3iaz n LEU 427 Ca -0.02 -0.28 -0.41 0.00 -0.03 0.00 0.00 56.01 55.27 3iaz n LEU 427 Cb 0.17 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3iaz n LEU 427 CO 0.28 0.13 1.02 -0.60 -1.33 0.00 0.00 177.39 176.89 3iaz s ARG 428 N -3.05 4.34 0.53 3.23 3.52 -0.28 -4.93 118.95 122.30 3iaz s ARG 428 Ca 0.01 2.20 -0.22 0.00 -0.13 0.00 0.00 55.73 57.58 3iaz s ARG 428 Cb 0.14 -3.12 -0.05 0.00 -1.56 0.00 0.00 34.95 30.35 3iaz s ARG 428 CO 0.80 -0.28 1.34 -2.14 -0.81 0.00 0.00 175.30 174.21 3iaz s PRO 429 N -0.81 3.25 0.54 5.12 0.02 -1.26 -4.88 135.00 136.98 3iaz s PRO 429 Ca 0.55 2.19 -0.15 0.00 0.02 0.00 0.00 61.00 63.61 3iaz s PRO 429 Cb -0.40 -2.30 -0.07 0.00 0.02 0.00 0.00 34.50 31.75 3iaz s PRO 429 CO 0.45 -1.09 1.00 0.95 -0.33 0.00 0.00 177.00 177.98 3iaz s THR 430 N -1.32 4.51 -0.09 0.99 -4.23 -1.26 -5.01 115.64 109.24 3iaz s THR 430 Ca 0.70 1.13 0.10 0.00 -1.18 0.00 0.00 61.69 62.44 3iaz s THR 430 Cb -0.39 -3.72 -0.14 0.00 1.34 0.00 0.00 72.50 69.59 3iaz s THR 430 CO 0.47 -0.76 0.08 -0.62 -0.54 0.00 0.00 174.62 173.25 3iaz n GLU 431 N -1.82 1.90 0.00 3.99 1.02 -1.26 -5.08 120.64 119.39 3iaz n GLU 431 Ca 0.07 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3iaz n GLU 431 Cb 0.54 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 3iaz n GLU 431 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iaz n GLY 432 N 2.26 0.43 3.59 0.62 0.00 -1.26 -4.95 105.19 105.87 3iaz n GLY 432 Ca -0.14 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 43.86 3iaz n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3iaz s TYR 433 N -2.65 2.48 -0.23 1.61 -0.85 -0.18 -4.87 117.35 112.67 3iaz s TYR 433 Ca 0.00 -0.43 -0.15 0.00 -0.52 0.00 0.00 57.07 55.97 3iaz s TYR 433 Cb 0.00 -1.38 -0.04 0.00 0.38 0.00 0.00 41.96 40.92 3iaz s TYR 433 CO 0.00 0.55 0.38 -0.51 -1.52 0.00 0.00 175.55 174.45 3iaz s LEU 434 N -3.66 4.11 -0.09 -3.49 1.43 -1.26 0.88 118.68 116.60 3iaz s LEU 434 Ca 0.33 0.42 -0.27 0.00 -1.03 0.00 0.00 54.13 53.58 3iaz s LEU 434 Cb -0.00 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 3iaz s LEU 434 CO 0.18 -0.11 0.89 0.00 0.23 0.00 0.00 176.35 177.53 3iaz s ALA 435 N 1.60 3.37 0.23 4.21 0.00 -0.18 -1.33 121.76 129.66 3iaz s ALA 435 Ca 0.17 0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.46 3iaz s ALA 435 Cb -0.15 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3iaz s ALA 435 CO 0.08 -0.43 -0.08 0.14 0.00 0.00 0.00 175.76 175.47 3iaz s VAL 436 N 1.58 1.50 -0.18 0.00 -7.23 0.82 -0.27 120.40 116.62 3iaz s VAL 436 Ca 0.44 -2.13 -0.02 0.00 -1.81 0.00 0.00 61.98 58.47 3iaz s VAL 436 Cb -0.18 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 3iaz s VAL 436 CO 0.19 -0.46 -0.10 0.00 -0.31 0.00 0.00 175.10 174.42 3iaz s ALA 437 N -3.12 2.68 -0.03 1.32 0.00 -1.26 -2.10 121.76 119.25 3iaz s ALA 437 Ca 0.25 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 51.24 3iaz s ALA 437 Cb 0.02 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 3iaz s ALA 437 CO 0.08 -0.12 -0.26 0.08 0.00 0.00 0.00 175.76 175.55 3iaz s VAL 438 N 0.95 2.05 0.21 0.00 1.01 -0.31 -1.22 120.40 123.10 3iaz s VAL 438 Ca -0.02 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.88 3iaz s VAL 438 Cb -0.15 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3iaz s VAL 438 CO -0.01 0.58 0.07 0.68 0.00 0.00 0.00 175.10 176.42 3iaz s VAL 439 N -0.48 0.46 0.10 2.92 -7.23 0.32 -1.52 120.40 114.98 3iaz s VAL 439 Ca 0.06 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 3iaz s VAL 439 Cb -0.11 -2.42 -0.06 0.00 0.56 0.00 0.00 36.38 34.35 3iaz s VAL 439 CO 0.00 -0.17 0.98 -0.54 -0.31 0.00 0.00 175.10 175.06 3iaz s LYS 440 N -4.02 4.67 0.27 4.82 -0.14 -1.26 -0.46 119.74 123.62 3iaz s LYS 440 Ca 0.33 1.47 -0.01 0.00 -1.36 0.00 0.00 55.97 56.40 3iaz s LYS 440 Cb 0.07 -3.38 0.58 0.00 -1.68 0.00 0.00 37.83 33.43 3iaz s LYS 440 CO 0.10 0.16 1.70 -0.22 -0.76 0.00 0.00 175.35 176.33 3iaz h LYS 441 N 5.72 0.38 -0.07 1.68 3.64 -0.82 -1.75 116.57 125.35 3iaz h LYS 441 Ca -0.43 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.95 3iaz h LYS 441 Cb 1.21 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3iaz h LYS 441 CO 0.72 0.25 0.12 0.00 -2.27 0.00 0.00 179.45 178.27 3iaz h ALA 442 N 1.64 1.46 -1.07 5.00 0.00 -1.93 -3.24 119.26 121.13 3iaz h ALA 442 Ca 0.48 -0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.67 3iaz h ALA 442 Cb 0.84 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.52 3iaz h ALA 442 CO -0.49 -0.16 1.98 -1.71 0.00 0.00 0.00 179.25 178.88 3iaz n ASN 443 N -3.50 4.93 -4.79 0.00 2.85 -0.66 -4.97 115.26 109.13 3iaz n ASN 443 Ca -0.01 -2.96 -0.34 0.00 -0.11 0.00 0.00 54.58 51.16 3iaz n ASN 443 Cb 0.21 -1.63 -0.02 0.00 1.24 0.00 0.00 39.78 39.58 3iaz n ASN 443 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3iaz s GLU 444 N 2.56 3.59 0.00 1.20 2.02 -1.22 -3.49 118.70 123.36 3iaz s GLU 444 Ca 0.47 1.42 0.00 0.00 0.02 0.00 0.00 54.97 56.88 3iaz s GLU 444 Cb 0.04 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.21 3iaz s GLU 444 CO 0.02 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.09 3iaz n GLY 445 N -0.22 1.21 3.67 -1.39 0.00 -1.26 -4.97 105.19 102.22 3iaz n GLY 445 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3iaz n GLY 445 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iaz s LEU 446 N 0.00 4.16 0.35 0.99 2.96 -1.23 -4.91 118.68 121.00 3iaz s LEU 446 Ca 0.00 1.30 0.05 0.00 -0.22 0.00 0.00 54.13 55.25 3iaz s LEU 446 Cb 0.00 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 3iaz s LEU 446 CO 0.00 -0.50 0.19 0.42 -1.32 0.00 0.00 176.35 175.14 3iaz s THR 447 N 2.48 0.31 0.31 3.68 -4.23 -1.26 -4.98 115.64 111.94 3iaz s THR 447 Ca 0.42 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.99 3iaz s THR 447 Cb -0.16 -2.45 0.30 0.00 1.34 0.00 0.00 72.50 71.53 3iaz s THR 447 CO 0.11 0.00 1.76 -0.25 -0.54 0.00 0.00 174.62 175.70 3iaz h TRP 448 N 2.05 1.02 0.00 3.99 2.91 -1.85 -0.81 115.95 123.26 3iaz h TRP 448 Ca -0.31 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.74 3iaz h TRP 448 Cb 1.25 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.60 3iaz h TRP 448 CO 1.40 0.16 0.00 0.09 -1.03 0.00 0.00 178.44 179.06 3iaz n ASN 449 N -4.82 0.00 -0.49 2.65 3.02 -1.26 -3.43 115.26 110.93 3iaz n ASN 449 Ca 0.24 -0.25 0.07 0.00 -0.03 0.00 0.00 54.58 54.60 3iaz n ASN 449 Cb 0.63 -0.24 0.19 0.00 -0.61 0.00 0.00 39.78 39.74 3iaz n ASN 449 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3iaz n SER 450 N -1.24 1.98 0.18 6.41 3.41 -0.31 -4.75 113.62 119.29 3iaz n SER 450 Ca 0.15 -3.66 0.06 0.00 -0.26 0.00 0.00 58.87 55.17 3iaz n SER 450 Cb 0.22 -0.51 0.26 0.00 -0.26 0.00 0.00 64.21 63.91 3iaz n SER 450 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3iaz h LEU 451 N 0.74 0.00 -9.32 1.04 3.38 -1.57 -3.45 115.31 106.13 3iaz h LEU 451 Ca 0.01 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.33 3iaz h LEU 451 Cb 1.05 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.87 3iaz h LEU 451 CO 0.03 0.35 0.36 1.17 0.09 0.00 0.00 178.44 180.44 3iaz n LYS 452 N -3.34 1.20 -0.99 1.13 3.00 -1.26 -1.54 118.16 116.36 3iaz n LYS 452 Ca 0.01 0.43 0.00 0.00 -0.00 0.00 0.00 58.31 58.75 3iaz n LYS 452 Cb 0.57 -1.99 0.00 0.00 0.00 0.00 0.00 35.03 33.60 3iaz n LYS 452 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3iaz n ASP 453 N 2.25 -4.80 -2.67 3.14 10.43 -0.18 -4.96 116.55 119.76 3iaz n ASP 453 Ca 0.16 0.00 -0.07 0.00 2.57 0.00 0.00 54.79 57.45 3iaz n ASP 453 Cb 0.23 -2.43 0.04 0.00 1.84 0.00 0.00 41.12 40.80 3iaz n ASP 453 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3iaz n LYS 454 N -0.44 0.21 -4.32 -1.24 4.76 -0.59 -3.95 118.16 112.59 3iaz n LYS 454 Ca 0.00 -0.72 -0.34 0.00 -2.87 0.00 0.00 58.31 54.38 3iaz n LYS 454 Cb 0.32 -0.24 -0.12 0.00 -1.84 0.00 0.00 35.03 33.14 3iaz n LYS 454 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3iaz s LYS 455 N -3.33 3.66 0.15 1.97 1.02 -1.26 -0.72 119.74 121.23 3iaz s LYS 455 Ca 0.19 -0.52 0.10 0.00 0.02 0.00 0.00 55.97 55.77 3iaz s LYS 455 Cb -0.01 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 3iaz s LYS 455 CO 0.13 0.18 -0.21 -1.54 -0.92 0.00 0.00 175.35 173.00 3iaz s SER 456 N 0.52 3.66 -0.16 2.83 1.04 -0.71 -0.14 113.70 120.74 3iaz s SER 456 Ca -0.03 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.71 3iaz s SER 456 Cb -0.14 -0.40 0.02 0.00 0.10 0.00 0.00 66.02 65.60 3iaz s SER 456 CO 0.03 0.15 -0.17 0.00 0.98 0.00 0.00 173.24 174.22 3iaz s HIS 458 N 1.32 2.26 0.08 0.00 3.76 -0.30 -1.25 115.29 121.15 3iaz s HIS 458 Ca 0.03 -0.38 -0.18 0.00 -0.15 0.00 0.00 55.06 54.38 3iaz s HIS 458 Cb -0.13 -1.22 -0.09 0.00 1.11 0.00 0.00 32.58 32.24 3iaz s HIS 458 CO -0.11 0.32 1.47 1.79 -0.85 0.00 0.00 174.74 177.37 3iaz h THR 459 N 3.91 1.28 -1.10 1.30 1.35 -1.74 -3.41 112.91 114.50 3iaz h THR 459 Ca -0.50 -1.06 0.26 0.00 -0.55 0.00 0.00 66.41 64.56 3iaz h THR 459 Cb 1.17 1.48 -0.25 0.00 -1.73 0.00 0.00 68.15 68.82 3iaz h THR 459 CO 0.39 0.33 0.94 0.00 -0.25 0.00 0.00 175.52 176.93 3iaz s ALA 460 N -4.77 -2.13 0.49 6.62 0.00 -1.26 -0.72 121.76 119.98 3iaz s ALA 460 Ca -0.14 1.87 -0.23 0.00 0.00 0.00 0.00 51.96 53.46 3iaz s ALA 460 Cb 0.07 -1.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.01 3iaz s ALA 460 CO 0.76 -0.35 1.22 0.28 0.00 0.00 0.00 175.76 177.68 3iaz n VAL 461 N 0.34 3.11 -0.72 0.00 0.31 0.57 -2.90 118.33 119.04 3iaz n VAL 461 Ca 0.01 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 3iaz n VAL 461 Cb 0.58 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 3iaz n VAL 461 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3iaz n ASP 462 N -0.28 0.00 -4.92 4.52 8.00 -1.26 -4.97 116.55 117.65 3iaz n ASP 462 Ca 0.09 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.32 3iaz n ASP 462 Cb 0.42 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.43 3iaz n ASP 462 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3iaz s ARG 463 N -0.03 3.55 0.02 -1.24 0.52 -1.14 -4.03 118.95 116.60 3iaz s ARG 463 Ca 0.00 0.02 -0.19 0.00 -0.52 0.00 0.00 55.73 55.05 3iaz s ARG 463 Cb 0.00 -2.50 -0.10 0.00 0.52 0.00 0.00 34.95 32.86 3iaz s ARG 463 CO 0.00 -0.03 1.14 1.15 0.02 0.00 0.00 175.30 177.58 3iaz h THR 464 N 0.60 0.00 0.00 0.02 2.02 -1.92 0.53 112.91 114.15 3iaz h THR 464 Ca -0.48 -0.09 -0.17 0.00 0.77 0.00 0.00 66.41 66.45 3iaz h THR 464 Cb 1.21 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3iaz h THR 464 CO 0.62 0.00 -0.81 0.00 0.37 0.00 0.00 175.52 175.71 3iaz h ALA 465 N -1.60 0.57 0.00 6.16 0.00 -1.90 -1.68 119.26 120.81 3iaz h ALA 465 Ca -0.07 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3iaz h ALA 465 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3iaz h ALA 465 CO 0.11 1.01 -0.43 0.78 0.00 0.00 0.00 179.25 180.73 3iaz h GLY 466 N 2.76 0.00 0.00 0.00 0.00 -1.66 -3.39 103.07 100.77 3iaz h GLY 466 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3iaz h GLY 466 CO 0.10 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.51 3iaz n TRP 467 N -2.56 -2.28 -0.27 5.60 -0.00 -0.89 -4.23 117.44 112.81 3iaz n TRP 467 Ca 0.03 0.50 -0.02 0.00 -0.00 0.00 0.00 57.50 58.00 3iaz n TRP 467 Cb 0.49 1.10 0.10 0.00 -0.00 0.00 0.00 31.31 33.00 3iaz n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 3iaz h ASN 468 N 0.00 0.76 0.21 5.87 2.35 -0.86 -0.12 115.58 123.78 3iaz h ASN 468 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3iaz h ASN 468 Cb 0.00 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.22 3iaz h ASN 468 CO 0.00 0.51 -0.10 0.40 -1.65 0.00 0.00 177.43 176.59 3iaz h ILE 469 N 0.90 0.65 -0.52 2.81 1.08 -1.54 -1.89 117.51 118.99 3iaz h ILE 469 Ca 0.31 -1.01 -0.06 0.00 -0.39 0.00 0.00 64.86 63.71 3iaz h ILE 469 Cb 0.06 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 3iaz h ILE 469 CO -0.13 0.17 0.08 1.55 -0.69 0.00 0.00 178.15 179.12 3iaz h PRO 470 N -0.92 0.86 -0.15 2.37 0.13 -1.78 -1.70 132.00 130.81 3iaz h PRO 470 Ca -0.03 -0.24 -0.13 0.00 -0.87 0.00 0.00 66.00 64.74 3iaz h PRO 470 Cb 0.49 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 3iaz h PRO 470 CO 0.05 0.85 -0.46 0.52 -0.23 0.00 0.00 178.00 178.73 3iaz h MET 471 N 0.74 0.37 -0.45 0.86 2.86 -1.14 -0.52 114.93 117.65 3iaz h MET 471 Ca 0.16 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3iaz h MET 471 Cb 0.41 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3iaz h MET 471 CO 0.01 0.76 0.21 0.78 1.06 0.00 0.00 176.91 179.73 3iaz h GLY 472 N 1.21 0.70 1.00 8.32 0.00 -1.19 0.17 103.07 113.28 3iaz h GLY 472 Ca 0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 3iaz h GLY 472 CO 0.08 0.34 0.20 1.41 0.00 0.00 0.00 176.54 178.56 3iaz h LEU 473 N 0.59 0.85 -0.44 3.11 3.38 -1.14 -1.73 115.31 119.93 3iaz h LEU 473 Ca 0.15 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 3iaz h LEU 473 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3iaz h LEU 473 CO -0.02 0.82 -0.12 0.40 0.09 0.00 0.00 178.44 179.60 3iaz h ILE 474 N 0.83 1.27 -0.36 1.22 2.04 -0.88 -0.97 117.51 120.67 3iaz h ILE 474 Ca 0.19 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 3iaz h ILE 474 Cb 0.26 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3iaz h ILE 474 CO -0.01 0.42 0.19 0.58 0.00 0.00 0.00 178.15 179.33 3iaz h VAL 475 N 0.69 1.15 0.15 1.67 2.07 -0.62 -0.37 116.25 120.99 3iaz h VAL 475 Ca 0.11 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3iaz h VAL 475 Cb 0.67 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3iaz h VAL 475 CO 0.05 0.15 -0.07 0.78 0.02 0.00 0.00 177.57 178.50 3iaz h ASN 476 N 0.45 -0.18 1.50 0.57 4.21 -1.17 0.75 115.58 121.71 3iaz h ASN 476 Ca 0.12 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.63 3iaz h ASN 476 Cb 0.08 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 3iaz h ASN 476 CO -0.02 -0.11 0.00 0.06 -1.29 0.00 0.00 177.43 176.07 3iaz h GLN 477 N -0.22 0.00 0.00 0.81 3.07 -1.17 -3.12 115.11 114.48 3iaz h GLN 477 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.66 3iaz h GLN 477 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 3iaz h GLN 477 CO 0.03 0.00 -1.86 0.25 0.09 0.00 0.00 178.83 177.35 3iaz n THR 478 N -2.95 0.35 -1.78 1.86 -2.24 -0.15 -4.99 114.28 104.38 3iaz n THR 478 Ca 0.03 -0.57 -0.06 0.00 -2.27 0.00 0.00 64.05 61.18 3iaz n THR 478 Cb 0.42 -0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.48 3iaz n THR 478 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iaz n GLY 479 N 1.32 0.38 3.05 3.38 0.00 0.26 -5.01 105.19 108.57 3iaz n GLY 479 Ca -0.07 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 3iaz n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iaz s SER 480 N -2.80 0.01 0.00 1.61 0.15 -1.18 -5.04 113.70 106.45 3iaz s SER 480 Ca 0.00 -0.09 0.19 0.00 0.70 0.00 0.00 55.95 56.75 3iaz s SER 480 Cb 0.00 0.21 0.59 0.00 -1.71 0.00 0.00 66.02 65.11 3iaz s SER 480 CO 0.00 -0.24 1.45 0.00 1.20 0.00 0.00 173.24 175.65 3iaz n ALA 482 N 0.61 6.45 0.04 0.00 0.00 -1.26 -4.59 120.51 121.77 3iaz n ALA 482 Ca 0.16 -2.37 0.03 0.00 0.00 0.00 0.00 53.44 51.26 3iaz n ALA 482 Cb 0.37 -2.30 0.16 0.00 0.00 0.00 0.00 19.45 17.68 3iaz n ALA 482 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3iaz n PHE 483 N 1.93 0.19 0.90 0.00 -1.74 -1.26 -0.37 117.46 117.12 3iaz n PHE 483 Ca 0.47 0.10 0.13 0.00 -0.56 0.00 0.00 57.45 57.59 3iaz n PHE 483 Cb 0.75 -0.65 0.46 0.00 1.52 0.00 0.00 39.48 41.56 3iaz n PHE 483 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 3iaz n ASP 484 N -1.69 0.30 -0.53 5.98 5.75 -1.26 -3.59 116.55 121.51 3iaz n ASP 484 Ca -0.00 0.31 0.07 0.00 -0.01 0.00 0.00 54.79 55.15 3iaz n ASP 484 Cb 0.02 -0.32 0.06 0.00 -1.03 0.00 0.00 41.12 39.84 3iaz n ASP 484 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3iaz n GLU 485 N -1.68 0.86 0.06 0.11 1.02 0.51 -4.72 120.64 116.80 3iaz n GLU 485 Ca 0.06 -1.30 -0.11 0.00 -0.02 0.00 0.00 57.16 55.80 3iaz n GLU 485 Cb 0.36 -1.25 -0.07 0.00 -0.02 0.00 0.00 31.44 30.45 3iaz n GLU 485 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3iaz h PHE 486 N 2.58 -0.21 -3.51 -0.32 3.57 -1.61 -3.44 116.94 113.99 3iaz h PHE 486 Ca 0.00 -0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.97 3iaz h PHE 486 Cb 0.55 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 3iaz h PHE 486 CO 0.01 0.22 -0.01 -0.06 -2.23 0.00 0.00 178.31 176.23 3iaz s PHE 487 N -3.39 3.49 0.11 0.41 0.08 -1.26 -1.01 117.98 116.41 3iaz s PHE 487 Ca -0.12 1.10 -0.15 0.00 0.12 0.00 0.00 56.93 57.87 3iaz s PHE 487 Cb 0.00 -2.42 -0.05 0.00 -0.57 0.00 0.00 43.02 39.98 3iaz s PHE 487 CO 0.46 0.27 1.49 0.66 -0.10 0.00 0.00 175.22 178.00 3iaz h SER 488 N 2.83 0.72 -4.87 1.36 4.64 -1.05 -3.46 113.55 113.72 3iaz h SER 488 Ca -0.48 -0.39 -0.13 0.00 -0.47 0.00 0.00 61.79 60.32 3iaz h SER 488 Cb 1.18 -0.20 -0.21 0.00 -0.31 0.00 0.00 62.40 62.86 3iaz h SER 488 CO 0.67 0.95 -0.38 -1.10 -0.87 0.00 0.00 176.83 176.09 3iaz s GLN 489 N -4.68 0.55 0.21 4.77 -0.21 -1.25 -4.92 119.66 114.13 3iaz s GLN 489 Ca -0.13 -0.23 -0.09 0.00 0.02 0.00 0.00 55.36 54.94 3iaz s GLN 489 Cb 0.09 0.24 -0.01 0.00 1.00 0.00 0.00 33.01 34.33 3iaz s GLN 489 CO 0.81 -0.14 0.33 -1.12 -2.12 0.00 0.00 175.29 173.05 3iaz s SER 490 N -1.21 0.01 -0.26 5.90 0.01 -0.59 -1.73 113.70 115.83 3iaz s SER 490 Ca -0.13 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 56.13 3iaz s SER 490 Cb -0.06 0.48 0.06 0.00 0.21 0.00 0.00 66.02 66.72 3iaz s SER 490 CO 0.03 -0.98 -0.07 0.00 0.41 0.00 0.00 173.24 172.63 3iaz s ALA 492 N 1.20 2.02 0.18 0.00 0.00 -0.13 -1.15 121.76 123.88 3iaz s ALA 492 Ca -0.06 -2.66 -0.32 0.00 0.00 0.00 0.00 51.96 48.92 3iaz s ALA 492 Cb -0.19 -1.80 -0.15 0.00 0.00 0.00 0.00 23.12 20.97 3iaz s ALA 492 CO -0.06 -2.05 1.19 -2.30 0.00 0.00 0.00 175.76 172.54 3iaz n PRO 493 N 3.12 1.28 0.00 0.00 -0.02 -1.26 -2.11 135.00 136.01 3iaz n PRO 493 Ca 0.18 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3iaz n PRO 493 Cb 0.39 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3iaz n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iaz n GLY 494 N 2.01 0.43 3.96 -1.23 0.00 -0.20 -0.32 105.19 109.84 3iaz n GLY 494 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3iaz n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaz s ALA 495 N -2.05 2.95 -0.01 4.61 0.00 -0.90 -4.93 121.76 121.43 3iaz s ALA 495 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 3iaz s ALA 495 Cb 0.00 -2.44 -0.06 0.00 0.00 0.00 0.00 23.12 20.62 3iaz s ALA 495 CO 0.00 -1.89 1.62 0.34 0.00 0.00 0.00 175.76 175.82 3iaz s ASP 496 N -4.78 6.68 0.64 0.00 2.15 -1.26 -4.87 116.67 115.22 3iaz s ASP 496 Ca 0.69 2.29 0.36 0.00 0.43 0.00 0.00 52.55 56.32 3iaz s ASP 496 Cb -0.05 -2.55 1.99 0.00 -0.30 0.00 0.00 42.92 42.01 3iaz s ASP 496 CO 0.48 -0.88 2.19 -0.65 -0.17 0.00 0.00 175.17 176.14 3iaz h PRO 497 N 8.96 0.00 -0.07 4.34 0.11 -1.93 -0.34 132.00 143.07 3iaz h PRO 497 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3iaz h PRO 497 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3iaz h PRO 497 CO 0.94 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 179.09 3iaz n LYS 498 N -3.33 2.09 -2.42 1.05 2.85 -1.26 -4.74 118.16 112.41 3iaz n LYS 498 Ca -0.02 -1.60 -0.26 0.00 -1.05 0.00 0.00 58.31 55.38 3iaz n LYS 498 Cb 0.20 -1.47 0.03 0.00 -0.65 0.00 0.00 35.03 33.15 3iaz n LYS 498 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3iaz s SER 499 N -1.92 5.62 0.54 -5.58 1.04 -0.14 -4.98 113.70 108.28 3iaz s SER 499 Ca 0.33 0.70 0.20 0.00 0.48 0.00 0.00 55.95 57.66 3iaz s SER 499 Cb 0.20 -1.71 1.39 0.00 0.10 0.00 0.00 66.02 66.01 3iaz s SER 499 CO 0.31 -1.04 2.16 0.03 0.98 0.00 0.00 173.24 175.68 3iaz h ARG 500 N -0.15 0.00 0.00 4.02 3.08 -1.91 -1.73 114.38 117.70 3iaz h ARG 500 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3iaz h ARG 500 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3iaz h ARG 500 CO 0.60 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.78 3iaz n LEU 501 N -4.38 0.43 -0.20 3.04 4.77 -1.26 -1.55 117.00 117.85 3iaz n LEU 501 Ca -0.02 0.65 0.02 0.00 -0.03 0.00 0.00 56.01 56.64 3iaz n LEU 501 Cb 0.14 -0.65 0.03 0.00 -2.33 0.00 0.00 43.42 40.61 3iaz n LEU 501 CO 0.33 -0.66 0.40 0.00 -1.33 0.00 0.00 177.39 176.12 3iaz h ALA 503 N 0.83 1.86 0.00 0.00 0.00 -1.01 -2.07 119.26 118.87 3iaz h ALA 503 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iaz h ALA 503 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3iaz h ALA 503 CO 0.00 0.12 -0.72 1.28 0.00 0.00 0.00 179.25 179.93 3iaz n LEU 504 N -4.48 0.64 -4.75 0.00 4.77 -0.34 -4.92 117.00 107.92 3iaz n LEU 504 Ca -0.01 -0.09 -0.38 0.00 -0.03 0.00 0.00 56.01 55.50 3iaz n LEU 504 Cb 0.11 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3iaz n LEU 504 CO 0.35 0.12 0.93 0.00 -1.33 0.00 0.00 177.39 177.46 3iaz n ALA 506 N -1.00 2.59 -0.42 0.00 0.00 -1.26 -4.81 120.51 115.62 3iaz n ALA 506 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3iaz n ALA 506 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.75 3iaz n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaz n GLY 507 N 1.03 -0.36 0.00 0.00 0.00 -1.26 -4.47 105.19 100.14 3iaz n GLY 507 Ca 0.01 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3iaz n GLY 507 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iaz n ASP 508 N -1.14 0.00 0.28 1.61 5.68 0.14 -1.81 116.55 121.31 3iaz n ASP 508 Ca 0.00 -0.77 0.18 0.00 -0.50 0.00 0.00 54.79 53.70 3iaz n ASP 508 Cb 0.00 0.00 0.95 0.00 -1.14 0.00 0.00 41.12 40.93 3iaz n ASP 508 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3iaz h ASP 509 N 0.00 0.00 -0.15 -1.12 -0.00 -1.89 -0.55 116.42 112.71 3iaz h ASP 509 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3iaz h ASP 509 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3iaz h ASP 509 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 3iaz n GLN 510 N -3.51 1.80 -0.67 4.15 6.02 -1.26 -4.97 117.38 118.95 3iaz n GLN 510 Ca -0.01 -1.77 0.00 0.00 -0.01 0.00 0.00 57.00 55.21 3iaz n GLN 510 Cb 0.21 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3iaz n GLN 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iaz n GLY 511 N 1.04 0.80 3.89 1.08 0.00 -0.21 -5.05 105.19 106.74 3iaz n GLY 511 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3iaz n GLY 511 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaz s LEU 512 N 0.00 3.29 -1.32 0.99 1.43 -1.26 -4.23 118.68 117.58 3iaz s LEU 512 Ca 0.00 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 3iaz s LEU 512 Cb 0.00 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.19 3iaz s LEU 512 CO 0.00 -0.90 0.00 0.47 0.23 0.00 0.00 176.35 176.15 3iaz n ASP 513 N -2.62 -4.54 -4.65 2.29 8.00 -1.26 -0.68 116.55 113.08 3iaz n ASP 513 Ca 0.04 0.05 -0.47 0.00 0.71 0.00 0.00 54.79 55.13 3iaz n ASP 513 Cb 0.56 -3.63 -0.04 0.00 -0.02 0.00 0.00 41.12 37.99 3iaz n ASP 513 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3iaz n LYS 514 N -2.45 1.91 -1.07 -1.24 4.81 -1.26 -1.98 118.16 116.88 3iaz n LYS 514 Ca -0.17 0.69 -0.02 0.00 -0.87 0.00 0.00 58.31 57.93 3iaz n LYS 514 Cb 0.61 -2.39 -0.01 0.00 0.02 0.00 0.00 35.03 33.26 3iaz n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3iaz s VAL 516 N -1.65 3.20 -1.47 0.00 -7.23 -0.84 -1.03 120.40 111.38 3iaz s VAL 516 Ca 0.00 1.01 -0.09 0.00 -1.81 0.00 0.00 61.98 61.10 3iaz s VAL 516 Cb 0.00 -3.57 0.02 0.00 0.56 0.00 0.00 36.38 33.39 3iaz s VAL 516 CO 0.00 0.09 2.59 -0.81 -0.31 0.00 0.00 175.10 176.66 3iaz n PRO 517 N 0.12 3.94 -3.97 4.82 -0.04 -1.26 -4.46 135.00 134.15 3iaz n PRO 517 Ca 0.04 -2.82 -0.09 0.00 -0.04 0.00 0.00 63.50 60.59 3iaz n PRO 517 Cb 0.47 -2.80 -0.04 0.00 -0.04 0.00 0.00 33.50 31.09 3iaz n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3iaz s ASN 518 N 1.50 -0.03 0.00 3.54 2.20 -1.26 -4.55 114.94 116.33 3iaz s ASN 518 Ca 0.59 -0.93 0.16 0.00 -0.94 0.00 0.00 52.86 51.74 3iaz s ASN 518 Cb 0.17 0.64 0.87 0.00 -2.00 0.00 0.00 41.25 40.93 3iaz s ASN 518 CO -0.07 -1.23 1.38 -1.54 -2.94 0.00 0.00 177.10 172.70 3iaz n SER 519 N -0.55 0.00 0.19 3.54 3.41 -1.26 -1.60 113.62 117.36 3iaz n SER 519 Ca -0.02 -0.28 0.04 0.00 -0.26 0.00 0.00 58.87 58.34 3iaz n SER 519 Cb 0.61 -0.11 0.39 0.00 -0.26 0.00 0.00 64.21 64.85 3iaz n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3iaz h LYS 520 N 0.00 0.00 -6.21 4.33 1.79 -1.94 -3.42 116.57 111.13 3iaz h LYS 520 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 3iaz h LYS 520 Cb 0.05 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 3iaz h LYS 520 CO 0.00 0.35 0.78 -2.00 -1.08 0.00 0.00 179.45 177.50 3iaz s GLU 521 N -4.14 4.30 0.29 3.15 2.56 -0.62 -3.39 118.70 120.84 3iaz s GLU 521 Ca -0.03 1.59 0.04 0.00 0.00 0.00 0.00 54.97 56.57 3iaz s GLU 521 Cb 0.14 -3.65 0.68 0.00 2.00 0.00 0.00 34.13 33.30 3iaz s GLU 521 CO 0.71 -0.56 1.76 -0.22 -0.56 0.00 0.00 175.26 176.38 3iaz h LYS 522 N 7.71 0.64 -0.88 4.30 3.64 -1.60 -1.98 116.57 128.40 3iaz h LYS 522 Ca -0.28 -0.04 -0.35 0.00 -1.27 0.00 0.00 60.65 58.71 3iaz h LYS 522 Cb 1.12 -0.15 -0.21 0.00 -0.41 0.00 0.00 32.23 32.59 3iaz h LYS 522 CO 0.93 0.43 0.44 0.66 -2.27 0.00 0.00 179.45 179.64 3iaz n TYR 523 N -4.84 2.68 -3.01 1.91 4.01 -1.26 -4.50 117.16 112.14 3iaz n TYR 523 Ca 0.21 -1.47 -0.35 0.00 -0.16 0.00 0.00 57.90 56.13 3iaz n TYR 523 Cb 0.55 -0.80 -0.06 0.00 -0.31 0.00 0.00 39.34 38.72 3iaz n TYR 523 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3iaz s TYR 524 N -3.03 3.58 0.01 -0.72 5.04 -0.75 -2.97 117.35 118.51 3iaz s TYR 524 Ca 0.54 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.63 3iaz s TYR 524 Cb 0.44 -2.69 0.00 0.00 0.35 0.00 0.00 41.96 40.06 3iaz s TYR 524 CO 0.12 0.23 0.00 0.41 -1.34 0.00 0.00 175.55 174.97 3iaz n GLY 525 N 0.37 -2.16 0.13 8.97 0.00 0.10 -1.97 105.19 110.63 3iaz n GLY 525 Ca 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.49 3iaz n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iaz h TYR 526 N -0.04 0.12 -0.28 1.61 0.05 -1.93 -0.92 116.97 115.57 3iaz h TYR 526 Ca 0.00 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.62 3iaz h TYR 526 Cb 0.04 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.77 3iaz h TYR 526 CO 0.00 0.04 -0.54 1.15 -1.05 0.00 0.00 178.16 177.76 3iaz h THR 527 N 0.18 1.28 -0.54 -2.88 2.02 -1.88 -2.39 112.91 108.70 3iaz h THR 527 Ca 0.13 -1.72 -0.05 0.00 0.77 0.00 0.00 66.41 65.54 3iaz h THR 527 Cb 0.13 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3iaz h THR 527 CO -0.16 0.56 0.14 1.23 0.37 0.00 0.00 175.52 177.65 3iaz h GLY 528 N 0.64 0.92 1.06 2.16 0.00 -1.28 0.47 103.07 107.04 3iaz h GLY 528 Ca 0.01 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 3iaz h GLY 528 CO 0.12 0.53 -0.02 0.00 0.00 0.00 0.00 176.54 177.18 3iaz h ALA 529 N 1.01 0.75 -0.55 3.60 0.00 -1.06 0.67 119.26 123.69 3iaz h ALA 529 Ca 0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3iaz h ALA 529 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3iaz h ALA 529 CO 0.00 0.59 0.24 0.35 0.00 0.00 0.00 179.25 180.44 3iaz h PHE 530 N 0.88 0.81 -0.97 0.00 3.57 -1.22 -2.27 116.94 117.73 3iaz h PHE 530 Ca 0.16 -0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3iaz h PHE 530 Cb 0.56 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 3iaz h PHE 530 CO 0.04 0.64 0.64 -0.09 -2.23 0.00 0.00 178.31 177.32 3iaz h ARG 531 N 0.74 1.27 -0.60 1.11 2.43 -0.62 0.37 114.38 119.08 3iaz h ARG 531 Ca 0.19 -0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3iaz h ARG 531 Cb 0.16 -0.29 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 3iaz h ARG 531 CO -0.02 0.84 0.40 0.00 -1.51 0.00 0.00 179.97 179.67 3iaz h LEU 533 N 0.58 0.34 -1.27 0.00 5.85 -0.56 -1.72 115.31 118.53 3iaz h LEU 533 Ca 0.26 -0.95 0.12 0.00 0.84 0.00 0.00 57.88 58.14 3iaz h LEU 533 Cb 0.27 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 3iaz h LEU 533 CO -0.08 1.27 0.56 0.00 -0.34 0.00 0.00 178.44 179.85 3iaz h ALA 534 N 0.07 1.76 -0.17 1.25 0.00 0.16 0.90 119.26 123.24 3iaz h ALA 534 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3iaz h ALA 534 Cb 1.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3iaz h ALA 534 CO 0.11 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.77 3iaz n GLU 535 N -4.54 1.48 -2.02 0.00 1.02 -0.33 -4.90 120.64 111.35 3iaz n GLU 535 Ca 0.16 -0.74 -0.20 0.00 -0.02 0.00 0.00 57.16 56.36 3iaz n GLU 535 Cb 0.40 -1.25 -0.04 0.00 -0.02 0.00 0.00 31.44 30.52 3iaz n GLU 535 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3iaz n ASP 536 N 0.03 -5.60 0.01 1.62 8.00 0.31 -4.86 116.55 116.06 3iaz n ASP 536 Ca 0.11 0.21 -0.15 0.00 0.71 0.00 0.00 54.79 55.67 3iaz n ASP 536 Cb 0.20 -4.74 -0.04 0.00 -0.02 0.00 0.00 41.12 36.53 3iaz n ASP 536 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3iaz h VAL 537 N 0.00 1.31 -1.96 2.53 2.07 -1.54 -3.46 116.25 115.21 3iaz h VAL 537 Ca -0.45 -2.05 -0.62 0.00 0.82 0.00 0.00 66.70 64.40 3iaz h VAL 537 Cb 1.34 2.05 -0.14 0.00 -1.52 0.00 0.00 31.29 33.02 3iaz h VAL 537 CO 0.58 0.64 -0.68 -0.83 0.02 0.00 0.00 177.57 177.30 3iaz s GLY 538 N -4.20 2.18 0.13 2.17 0.00 -0.82 -4.92 107.32 101.86 3iaz s GLY 538 Ca -0.09 -2.08 0.16 0.00 0.00 0.00 0.00 44.72 42.70 3iaz s GLY 538 CO 0.88 -2.03 1.04 -0.55 0.00 0.00 0.00 173.10 172.44 3iaz h ASP 539 N 2.03 0.00 -3.91 1.64 3.32 -0.86 -3.43 116.42 115.22 3iaz h ASP 539 Ca -0.42 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.44 3iaz h ASP 539 Cb 1.25 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.54 3iaz h ASP 539 CO 0.70 0.59 -0.55 0.54 -1.72 0.00 0.00 179.24 178.80 3iaz s VAL 540 N -2.91 0.01 -0.05 -1.35 0.11 -1.06 -4.40 120.40 110.74 3iaz s VAL 540 Ca -0.01 -0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.03 3iaz s VAL 540 Cb 0.08 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.70 3iaz s VAL 540 CO 0.79 -0.04 -0.23 0.00 -3.33 0.00 0.00 175.10 172.29 3iaz s ALA 541 N -0.08 2.03 -0.71 1.54 0.00 -0.57 -0.36 121.76 123.60 3iaz s ALA 541 Ca -0.02 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 3iaz s ALA 541 Cb -0.02 -0.63 0.18 0.00 0.00 0.00 0.00 23.12 22.66 3iaz s ALA 541 CO 0.00 0.39 0.63 -0.06 0.00 0.00 0.00 175.76 176.72 3iaz s PHE 542 N -0.15 3.59 0.00 0.00 0.08 -0.38 -1.16 117.98 119.95 3iaz s PHE 542 Ca -0.03 -1.99 0.00 0.00 0.12 0.00 0.00 56.93 55.04 3iaz s PHE 542 Cb -0.13 -3.68 0.00 0.00 -0.57 0.00 0.00 43.02 38.64 3iaz s PHE 542 CO 0.03 -0.97 0.00 1.33 -0.10 0.00 0.00 175.22 175.51 3iaz n VAL 543 N 4.19 0.00 -4.28 -0.44 0.24 -0.89 -3.51 118.33 113.64 3iaz n VAL 543 Ca 0.06 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.09 3iaz n VAL 543 Cb 0.44 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.71 3iaz n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3iaz s LYS 544 N 1.05 2.05 0.26 7.34 -2.85 -1.26 -0.13 119.74 126.21 3iaz s LYS 544 Ca 0.00 -1.22 -0.02 0.00 -1.00 0.00 0.00 55.97 53.73 3iaz s LYS 544 Cb 0.00 -2.18 0.56 0.00 -2.06 0.00 0.00 37.83 34.14 3iaz s LYS 544 CO 0.00 0.45 1.67 -0.97 0.10 0.00 0.00 175.35 176.60 3iaz h ASN 545 N 3.09 0.00 -0.52 0.03 -1.24 -1.56 -1.88 115.58 113.50 3iaz h ASN 545 Ca -0.47 0.17 0.01 0.00 0.71 0.00 0.00 56.30 56.71 3iaz h ASN 545 Cb 1.20 0.23 -0.03 0.00 0.73 0.00 0.00 38.32 40.44 3iaz h ASN 545 CO 0.53 -0.08 0.34 0.44 -1.29 0.00 0.00 177.43 177.37 3iaz h ASP 546 N 0.25 0.58 -0.55 1.15 5.19 -1.96 -2.77 116.42 118.32 3iaz h ASP 546 Ca 0.47 -0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.90 3iaz h ASP 546 Cb 0.86 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 40.18 3iaz h ASP 546 CO -0.57 0.42 0.31 0.74 -3.12 0.00 0.00 179.24 177.02 3iaz h THR 547 N 0.69 1.01 -0.24 0.35 2.02 -1.74 -1.07 112.91 113.92 3iaz h THR 547 Ca 0.19 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.20 3iaz h THR 547 Cb -0.06 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 3iaz h THR 547 CO -0.04 0.11 0.05 0.58 0.37 0.00 0.00 175.52 176.59 3iaz h VAL 548 N 0.60 0.89 -0.53 3.16 2.07 -1.59 -2.76 116.25 118.09 3iaz h VAL 548 Ca 0.23 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.64 3iaz h VAL 548 Cb 0.09 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3iaz h VAL 548 CO -0.13 0.03 0.07 -0.50 0.02 0.00 0.00 177.57 177.05 3iaz h TRP 549 N 0.14 0.90 -0.00 1.57 4.06 -1.47 -3.01 115.95 118.15 3iaz h TRP 549 Ca 0.11 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3iaz h TRP 549 Cb 0.11 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.01 3iaz h TRP 549 CO -0.15 0.79 -0.03 0.39 -3.56 0.00 0.00 178.44 175.88 3iaz n GLU 550 N -4.24 0.39 -0.11 0.49 1.02 -0.46 -3.50 120.64 114.23 3iaz n GLU 550 Ca 0.03 -0.03 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 3iaz n GLU 550 Cb 0.27 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.30 3iaz n GLU 550 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3iaz n ASN 551 N -1.28 2.00 -4.25 1.62 3.02 -1.06 -3.57 115.26 111.74 3iaz n ASN 551 Ca 0.13 -2.82 -0.14 0.00 -0.03 0.00 0.00 54.58 51.72 3iaz n ASN 551 Cb 0.26 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 38.98 3iaz n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3iaz s THR 552 N -2.30 0.34 -1.54 3.41 -4.23 -1.20 -4.73 115.64 105.39 3iaz s THR 552 Ca 0.24 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.63 3iaz s THR 552 Cb 0.21 -2.44 0.09 0.00 1.34 0.00 0.00 72.50 71.70 3iaz s THR 552 CO 0.02 -0.13 0.96 0.59 -0.54 0.00 0.00 174.62 175.52 3iaz n ASN 553 N -0.32 -4.55 0.00 3.99 4.13 0.15 -1.62 115.26 117.03 3iaz n ASN 553 Ca -0.01 -0.80 0.00 0.00 1.68 0.00 0.00 54.58 55.45 3iaz n ASN 553 Cb 0.65 -3.82 0.00 0.00 -1.54 0.00 0.00 39.78 35.08 3iaz n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iaz n GLY 554 N -1.68 0.49 0.20 7.41 0.00 -1.26 -4.89 105.19 105.47 3iaz n GLY 554 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3iaz n GLY 554 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iaz h GLU 555 N 1.21 0.00 -6.52 1.61 4.39 -1.57 -3.42 114.58 110.28 3iaz h GLU 555 Ca 0.00 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 59.00 3iaz h GLU 555 Cb 0.16 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 28.51 3iaz h GLU 555 CO 0.00 0.31 -0.89 0.45 -1.16 0.00 0.00 179.01 177.72 3iaz s SER 556 N -6.35 3.03 0.00 1.42 0.15 -1.23 -4.88 113.70 105.83 3iaz s SER 556 Ca 0.00 -0.47 0.25 0.00 0.70 0.00 0.00 55.95 56.43 3iaz s SER 556 Cb 0.11 -0.39 0.53 0.00 -1.71 0.00 0.00 66.02 64.56 3iaz s SER 556 CO 0.66 0.31 1.43 0.35 1.20 0.00 0.00 173.24 177.19 3iaz n THR 557 N 2.50 0.00 -1.56 6.45 -2.24 -1.26 -3.83 114.28 114.34 3iaz n THR 557 Ca -0.16 -0.13 -0.48 0.00 -2.27 0.00 0.00 64.05 61.01 3iaz n THR 557 Cb 0.51 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 3iaz n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iaz n ALA 558 N -0.67 -1.00 0.02 6.98 0.00 -1.26 -4.60 120.51 119.98 3iaz n ALA 558 Ca 0.10 0.44 0.16 0.00 0.00 0.00 0.00 53.44 54.15 3iaz n ALA 558 Cb 0.37 -1.96 0.63 0.00 0.00 0.00 0.00 19.45 18.49 3iaz n ALA 558 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3iaz h ASP 559 N 2.65 0.10 1.52 0.00 -0.00 -2.01 0.48 116.42 119.16 3iaz h ASP 559 Ca -0.40 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.55 3iaz h ASP 559 Cb 1.36 -0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 40.66 3iaz h ASP 559 CO 0.65 0.06 -0.39 4.11 -0.00 0.00 0.00 179.24 183.67 3iaz h TRP 560 N 0.11 0.00 0.00 4.15 5.08 -1.98 -3.37 115.95 119.94 3iaz h TRP 560 Ca 0.21 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.17 3iaz h TRP 560 Cb 0.71 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.87 3iaz h TRP 560 CO -0.00 0.39 -1.76 0.00 -1.28 0.00 0.00 178.44 175.79 3iaz n ALA 561 N -2.21 2.56 -0.22 0.11 0.00 -0.16 -4.65 120.51 115.95 3iaz n ALA 561 Ca 0.02 -0.42 0.23 0.00 0.00 0.00 0.00 53.44 53.27 3iaz n ALA 561 Cb 0.67 -0.54 0.60 0.00 0.00 0.00 0.00 19.45 20.18 3iaz n ALA 561 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3iaz h LYS 562 N 0.00 0.23 -0.66 0.00 2.10 -1.09 -0.55 116.57 116.61 3iaz h LYS 562 Ca -0.02 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3iaz h LYS 562 Cb 0.80 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 3iaz h LYS 562 CO 0.00 0.16 0.00 0.09 -2.00 0.00 0.00 179.45 177.70 3iaz n ASN 563 N -4.43 3.58 -4.72 7.07 4.13 -1.26 -4.32 115.26 115.31 3iaz n ASN 563 Ca 0.19 -2.04 -0.41 0.00 1.68 0.00 0.00 54.58 54.00 3iaz n ASN 563 Cb 0.80 -0.45 -0.04 0.00 -1.54 0.00 0.00 39.78 38.55 3iaz n ASN 563 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3iaz s LEU 564 N -1.07 4.40 -0.05 3.41 1.43 -0.22 -4.97 118.68 121.62 3iaz s LEU 564 Ca 0.44 1.52 0.04 0.00 -1.03 0.00 0.00 54.13 55.10 3iaz s LEU 564 Cb 0.23 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 3iaz s LEU 564 CO 0.29 -0.12 -0.16 -0.75 0.23 0.00 0.00 176.35 175.84 3iaz s LYS 565 N 0.52 2.49 0.58 1.70 2.47 -1.26 0.32 119.74 126.56 3iaz s LYS 565 Ca 0.44 -0.73 0.28 0.00 -1.56 0.00 0.00 55.97 54.40 3iaz s LYS 565 Cb -0.21 -2.34 1.71 0.00 -1.46 0.00 0.00 37.83 35.53 3iaz s LYS 565 CO 0.25 0.59 2.19 0.00 0.16 0.00 0.00 175.35 178.54 3iaz h ARG 566 N 5.44 0.00 0.00 4.03 3.08 -1.93 -1.63 114.38 123.37 3iaz h ARG 566 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3iaz h ARG 566 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 3iaz h ARG 566 CO 0.50 0.00 0.00 1.49 -1.07 0.00 0.00 179.97 180.89 3iaz h GLU 567 N 0.00 0.00 -0.06 0.04 4.22 -2.02 -2.46 114.58 114.30 3iaz h GLU 567 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.48 3iaz h GLU 567 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3iaz h GLU 567 CO -0.00 0.00 0.00 -0.25 -2.18 0.00 0.00 179.01 176.58 3iaz n ASP 568 N -2.83 0.67 -4.40 1.04 8.00 -0.61 -4.81 116.55 113.60 3iaz n ASP 568 Ca 0.02 -1.52 -0.27 0.00 0.71 0.00 0.00 54.79 53.73 3iaz n ASP 568 Cb 0.31 -0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.25 3iaz n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3iaz s PHE 569 N -1.92 2.21 0.05 1.24 0.08 -0.93 -0.17 117.98 118.55 3iaz s PHE 569 Ca 0.30 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.00 3iaz s PHE 569 Cb 0.15 -1.13 -0.03 0.00 -0.57 0.00 0.00 43.02 41.44 3iaz s PHE 569 CO 0.24 0.42 -0.08 1.03 -0.10 0.00 0.00 175.22 176.73 3iaz s ARG 570 N -2.48 0.58 -0.01 0.44 1.81 0.40 -4.45 118.95 115.24 3iaz s ARG 570 Ca 0.17 -0.83 -0.10 0.00 -1.72 0.00 0.00 55.73 53.25 3iaz s ARG 570 Cb -0.08 -0.32 -0.05 0.00 -0.45 0.00 0.00 34.95 34.05 3iaz s ARG 570 CO 0.08 0.05 0.31 -0.51 -0.68 0.00 0.00 175.30 174.56 3iaz s LEU 571 N -1.75 4.41 -0.20 2.53 1.43 0.85 -0.52 118.68 125.42 3iaz s LEU 571 Ca -0.07 0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 53.59 3iaz s LEU 571 Cb -0.08 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 3iaz s LEU 571 CO -0.00 0.29 0.38 -0.76 0.23 0.00 0.00 176.35 176.50 3iaz s LEU 572 N -1.41 4.16 0.12 1.79 1.43 -0.36 -1.85 118.68 122.57 3iaz s LEU 572 Ca 0.25 0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 53.85 3iaz s LEU 572 Cb -0.14 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 3iaz s LEU 572 CO 0.13 -0.06 0.29 0.00 0.23 0.00 0.00 176.35 176.94 3iaz h LEU 574 N 2.59 0.00 -0.95 0.00 3.38 -1.88 -2.02 115.31 116.43 3iaz h LEU 574 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3iaz h LEU 574 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3iaz h LEU 574 CO 0.72 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.35 3iaz n ASP 575 N -2.76 1.43 0.00 -0.43 5.75 -1.26 -4.92 116.55 114.37 3iaz n ASP 575 Ca -0.01 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 3iaz n ASP 575 Cb 0.14 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3iaz n ASP 575 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iaz n GLY 576 N 1.09 0.75 3.96 6.12 0.00 -0.76 -5.07 105.19 111.29 3iaz n GLY 576 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3iaz n GLY 576 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iaz s THR 577 N -2.50 2.92 -0.05 2.61 -4.23 -1.26 -4.74 115.64 108.40 3iaz s THR 577 Ca 0.00 -0.55 0.06 0.00 -1.18 0.00 0.00 61.69 60.02 3iaz s THR 577 Cb 0.00 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.71 3iaz s THR 577 CO 0.00 -0.09 -0.24 -0.13 -0.54 0.00 0.00 174.62 173.62 3iaz s ARG 578 N -4.79 2.49 0.08 3.99 0.52 -1.26 -1.88 118.95 118.09 3iaz s ARG 578 Ca 0.56 -0.89 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 3iaz s ARG 578 Cb -0.10 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 3iaz s ARG 578 CO 0.39 0.43 -0.08 0.15 0.02 0.00 0.00 175.30 176.22 3iaz s LYS 579 N -0.28 0.75 0.84 3.54 1.02 -0.77 -4.95 119.74 119.88 3iaz s LYS 579 Ca 0.00 -1.13 -0.11 0.00 0.02 0.00 0.00 55.97 54.75 3iaz s LYS 579 Cb -0.13 -0.30 0.10 0.00 -0.52 0.00 0.00 37.83 36.98 3iaz s LYS 579 CO 0.03 0.02 1.14 -2.14 -0.92 0.00 0.00 175.35 173.48 3iaz s PRO 580 N -2.95 1.61 0.00 -1.68 0.02 -1.26 -0.11 135.00 130.64 3iaz s PRO 580 Ca 0.04 1.46 0.15 0.00 0.02 0.00 0.00 61.00 62.67 3iaz s PRO 580 Cb -0.01 -1.80 0.69 0.00 0.02 0.00 0.00 34.50 33.40 3iaz s PRO 580 CO -0.02 -2.17 1.46 1.33 -0.33 0.00 0.00 177.00 177.27 3iaz n VAL 581 N -3.75 0.82 0.45 3.83 0.24 -1.26 -1.55 118.33 117.12 3iaz n VAL 581 Ca 0.11 0.21 0.13 0.00 -2.04 0.00 0.00 64.34 62.74 3iaz n VAL 581 Cb 0.52 -0.95 0.47 0.00 -1.47 0.00 0.00 33.84 32.41 3iaz n VAL 581 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3iaz h THR 582 N 0.00 0.00 -0.79 3.34 1.35 -1.96 -3.31 112.91 111.54 3iaz h THR 582 Ca 0.00 -0.35 -0.39 0.00 -0.55 0.00 0.00 66.41 65.12 3iaz h THR 582 Cb 0.21 1.20 -0.23 0.00 -1.73 0.00 0.00 68.15 67.60 3iaz h THR 582 CO 0.00 0.00 0.41 -0.62 -0.25 0.00 0.00 175.52 175.06 3iaz n GLU 583 N -2.34 2.34 0.25 4.72 -0.58 -0.59 -4.66 120.64 119.78 3iaz n GLU 583 Ca 0.03 -3.06 0.09 0.00 -0.42 0.00 0.00 57.16 53.80 3iaz n GLU 583 Cb 0.31 -2.09 0.65 0.00 -0.57 0.00 0.00 31.44 29.74 3iaz n GLU 583 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3iaz h ALA 584 N 1.22 1.65 0.00 0.62 0.00 -1.78 -1.32 119.26 119.65 3iaz h ALA 584 Ca 0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3iaz h ALA 584 Cb 2.48 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 20.25 3iaz h ALA 584 CO 0.87 0.13 -0.10 0.37 0.00 0.00 0.00 179.25 180.51 3iaz h GLN 585 N 0.00 0.00 -0.25 0.00 5.75 -1.93 -2.47 115.11 116.20 3iaz h GLN 585 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3iaz h GLN 585 Cb 0.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.75 3iaz h GLN 585 CO 0.01 0.10 0.00 -1.13 -2.65 0.00 0.00 178.83 175.17 3iaz n SER 586 N -3.97 2.64 -3.03 -0.69 3.41 -0.55 -4.77 113.62 106.67 3iaz n SER 586 Ca -0.02 -1.86 -0.16 0.00 -0.26 0.00 0.00 58.87 56.56 3iaz n SER 586 Cb 0.19 -0.17 -0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3iaz n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iaz s HIS 588 N -1.09 1.86 -0.05 0.00 -0.00 -1.21 -4.72 115.29 110.09 3iaz s HIS 588 Ca 0.34 -0.75 0.13 0.00 -0.00 0.00 0.00 55.06 54.78 3iaz s HIS 588 Cb 0.27 -1.07 -0.17 0.00 -0.00 0.00 0.00 32.58 31.62 3iaz s HIS 588 CO -0.11 0.21 0.91 -0.07 -0.00 0.00 0.00 174.74 175.69 3iaz h LEU 589 N 2.32 0.00 -7.06 5.38 3.38 -0.96 -3.43 115.31 114.94 3iaz h LEU 589 Ca -0.40 0.00 0.35 0.00 0.09 0.00 0.00 57.88 57.93 3iaz h LEU 589 Cb 1.23 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.83 3iaz h LEU 589 CO 0.67 0.83 0.93 0.00 0.09 0.00 0.00 178.44 180.95 3iaz s ALA 590 N -2.75 -2.34 -0.37 1.53 0.00 -1.24 -5.00 121.76 111.59 3iaz s ALA 590 Ca -0.02 1.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 3iaz s ALA 590 Cb 0.09 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.30 3iaz s ALA 590 CO 0.81 -0.91 0.43 0.08 0.00 0.00 0.00 175.76 176.17 3iaz s VAL 591 N -2.17 5.10 0.23 0.00 1.01 -1.26 -1.01 120.40 122.30 3iaz s VAL 591 Ca 0.14 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 3iaz s VAL 591 Cb 0.04 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 3iaz s VAL 591 CO -0.05 -0.23 0.55 0.00 0.00 0.00 0.00 175.10 175.36 3iaz s ALA 592 N 2.17 3.57 0.32 5.51 0.00 0.25 -4.87 121.76 128.72 3iaz s ALA 592 Ca 0.14 -0.27 -0.28 0.00 0.00 0.00 0.00 51.96 51.54 3iaz s ALA 592 Cb -0.16 -2.43 -0.10 0.00 0.00 0.00 0.00 23.12 20.43 3iaz s ALA 592 CO 0.13 0.51 1.17 -1.25 0.00 0.00 0.00 175.76 176.32 3iaz s PRO 593 N -2.79 4.43 0.72 0.00 0.04 -1.26 -1.01 135.00 135.13 3iaz s PRO 593 Ca 0.47 1.93 -0.16 0.00 0.04 0.00 0.00 61.00 63.28 3iaz s PRO 593 Cb -0.11 -3.04 0.03 0.00 0.04 0.00 0.00 34.50 31.42 3iaz s PRO 593 CO 0.21 -0.02 1.24 -0.80 0.04 0.00 0.00 177.00 177.67 3iaz s ASN 594 N -0.83 4.15 0.56 6.66 0.01 -1.26 -4.51 114.94 119.72 3iaz s ASN 594 Ca 0.49 2.46 -0.21 0.00 -0.71 0.00 0.00 52.86 54.89 3iaz s ASN 594 Cb -0.34 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.68 3iaz s ASN 594 CO 0.44 -2.30 1.37 -1.00 -1.51 0.00 0.00 177.10 174.09 3iaz s HIS 595 N -1.81 2.23 0.02 2.20 3.76 -1.26 -4.65 115.29 115.78 3iaz s HIS 595 Ca 0.77 1.37 -0.06 0.00 -0.15 0.00 0.00 55.06 56.99 3iaz s HIS 595 Cb -0.32 -3.82 -0.01 0.00 1.11 0.00 0.00 32.58 29.54 3iaz s HIS 595 CO 0.45 -2.99 0.10 0.00 -0.85 0.00 0.00 174.74 171.45 3iaz s ALA 596 N -1.30 -0.17 0.06 -1.40 0.00 -0.53 -0.97 121.76 117.45 3iaz s ALA 596 Ca 0.73 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 3iaz s ALA 596 Cb -0.41 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 3iaz s ALA 596 CO 0.48 -0.25 1.05 0.08 0.00 0.00 0.00 175.76 177.12 3iaz s VAL 597 N -1.90 4.45 0.24 0.00 1.01 0.54 0.13 120.40 124.86 3iaz s VAL 597 Ca -0.11 1.84 0.12 0.00 0.00 0.00 0.00 61.98 63.82 3iaz s VAL 597 Cb -0.05 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3iaz s VAL 597 CO -0.01 0.19 -0.22 0.68 0.00 0.00 0.00 175.10 175.74 3iaz s VAL 598 N 0.70 2.39 0.28 2.92 -7.23 -0.67 0.36 120.40 119.16 3iaz s VAL 598 Ca 0.53 -2.22 -0.13 0.00 -1.81 0.00 0.00 61.98 58.35 3iaz s VAL 598 Cb -0.25 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.50 3iaz s VAL 598 CO 0.29 -0.27 0.56 -0.94 -0.31 0.00 0.00 175.10 174.44 3iaz s SER 599 N -3.09 0.04 0.40 4.85 1.04 -0.68 -3.14 113.70 113.12 3iaz s SER 599 Ca 0.25 -0.98 -0.27 0.00 0.48 0.00 0.00 55.95 55.43 3iaz s SER 599 Cb -0.06 0.66 -0.09 0.00 0.10 0.00 0.00 66.02 66.62 3iaz s SER 599 CO 0.12 -1.27 1.38 -0.13 0.98 0.00 0.00 173.24 174.32 3iaz s ARG 600 N -3.64 3.96 0.33 4.02 0.52 -1.26 -0.82 118.95 122.07 3iaz s ARG 600 Ca 0.21 2.33 0.07 0.00 -0.52 0.00 0.00 55.73 57.83 3iaz s ARG 600 Cb -0.02 -2.81 0.77 0.00 0.52 0.00 0.00 34.95 33.41 3iaz s ARG 600 CO 0.11 -0.56 1.82 1.03 0.02 0.00 0.00 175.30 177.72 3iaz h SER 601 N 2.73 0.73 0.85 0.23 0.87 -1.92 -0.67 113.55 116.37 3iaz h SER 601 Ca -0.50 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 3iaz h SER 601 Cb 1.25 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3iaz h SER 601 CO 0.63 0.32 0.00 -0.90 -0.53 0.00 0.00 176.83 176.35 3iaz n ASP 602 N -4.65 0.34 -0.38 6.23 5.75 -1.26 -2.91 116.55 119.68 3iaz n ASP 602 Ca 0.21 0.56 0.06 0.00 -0.01 0.00 0.00 54.79 55.61 3iaz n ASP 602 Cb 0.53 -0.64 0.02 0.00 -1.03 0.00 0.00 41.12 39.99 3iaz n ASP 602 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iaz n ARG 603 N -1.85 1.48 -0.07 0.11 5.12 -0.30 -4.79 116.66 116.37 3iaz n ARG 603 Ca 0.04 -0.92 -0.07 0.00 -1.93 0.00 0.00 57.85 54.97 3iaz n ARG 603 Cb 0.27 -1.19 -0.01 0.00 -1.16 0.00 0.00 32.46 30.37 3iaz n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iaz h ALA 604 N 2.32 0.23 -0.85 7.54 0.00 -1.33 -0.91 119.26 126.27 3iaz h ALA 604 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iaz h ALA 604 Cb 0.47 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3iaz h ALA 604 CO 0.00 -0.42 0.49 0.00 0.00 0.00 0.00 179.25 179.32 3iaz h ALA 605 N 1.25 1.08 -0.19 0.00 0.00 -1.86 -0.35 119.26 119.18 3iaz h ALA 605 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3iaz h ALA 605 Cb 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3iaz h ALA 605 CO -0.24 0.56 0.02 1.25 0.00 0.00 0.00 179.25 180.85 3iaz h HIS 606 N 1.17 0.34 -0.59 0.00 6.17 -1.81 -2.44 115.15 118.00 3iaz h HIS 606 Ca 0.30 -0.05 -0.01 0.00 0.71 0.00 0.00 60.37 61.32 3iaz h HIS 606 Cb -0.02 -0.09 -0.03 0.00 2.52 0.00 0.00 27.41 29.79 3iaz h HIS 606 CO 0.00 0.49 0.32 0.28 0.71 0.00 0.00 177.93 179.73 3iaz h VAL 607 N 0.10 1.19 -0.16 5.26 2.07 -0.81 -2.74 116.25 121.16 3iaz h VAL 607 Ca 0.06 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.11 3iaz h VAL 607 Cb 0.34 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3iaz h VAL 607 CO 0.01 0.21 -0.05 -0.08 0.02 0.00 0.00 177.57 177.68 3iaz h GLU 608 N 0.79 -0.01 0.07 1.57 4.81 -0.99 -1.78 114.58 119.03 3iaz h GLU 608 Ca 0.21 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3iaz h GLU 608 Cb 0.05 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3iaz h GLU 608 CO -0.03 -0.01 -0.27 0.37 -0.73 0.00 0.00 179.01 178.34 3iaz h GLN 609 N -0.02 -0.43 -0.35 1.92 4.15 -1.35 -1.35 115.11 117.68 3iaz h GLN 609 Ca 0.08 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.57 3iaz h GLN 609 Cb 0.13 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 3iaz h GLN 609 CO -0.17 -0.29 0.11 0.28 -1.93 0.00 0.00 178.83 176.83 3iaz h VAL 610 N -0.45 0.89 -0.68 2.39 2.07 -1.41 -2.71 116.25 116.34 3iaz h VAL 610 Ca 0.04 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 3iaz h VAL 610 Cb 0.50 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3iaz h VAL 610 CO -0.19 0.05 0.14 -0.07 0.02 0.00 0.00 177.57 177.52 3iaz h LEU 611 N 0.26 1.05 -0.92 2.57 3.38 -1.07 0.02 115.31 120.59 3iaz h LEU 611 Ca 0.16 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3iaz h LEU 611 Cb 0.14 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 3iaz h LEU 611 CO -0.17 1.02 0.59 -0.07 0.09 0.00 0.00 178.44 179.91 3iaz h LEU 612 N 1.04 0.97 -0.26 1.67 3.38 -1.14 -0.85 115.31 120.12 3iaz h LEU 612 Ca 0.21 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3iaz h LEU 612 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3iaz h LEU 612 CO 0.01 0.66 -0.06 -0.74 0.09 0.00 0.00 178.44 178.39 3iaz h HIS 613 N 1.13 0.56 -0.88 1.13 2.76 -1.08 -2.84 115.15 115.92 3iaz h HIS 613 Ca 0.38 -0.12 0.07 0.00 -2.20 0.00 0.00 60.37 58.50 3iaz h HIS 613 Cb 0.05 -0.14 -0.06 0.00 1.55 0.00 0.00 27.41 28.81 3iaz h HIS 613 CO -0.01 0.71 0.55 1.96 -1.30 0.00 0.00 177.93 179.83 3iaz h GLN 614 N 0.25 0.95 0.00 5.26 1.08 -0.72 -2.11 115.11 119.82 3iaz h GLN 614 Ca 0.07 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 3iaz h GLN 614 Cb 0.53 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 3iaz h GLN 614 CO 0.02 0.63 -0.38 -0.56 -0.95 0.00 0.00 178.83 177.59 3iaz h GLN 615 N 0.98 0.00 -0.21 1.46 3.07 -1.12 0.18 115.11 119.47 3iaz h GLN 615 Ca 0.39 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 59.07 3iaz h GLN 615 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.76 3iaz h GLN 615 CO -0.19 0.38 -0.13 0.00 0.09 0.00 0.00 178.83 178.99 3iaz h ALA 616 N 1.62 1.40 0.02 0.06 0.00 -1.15 0.19 119.26 121.40 3iaz h ALA 616 Ca -0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3iaz h ALA 616 Cb 0.90 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3iaz h ALA 616 CO 0.05 0.41 -0.58 -0.07 0.00 0.00 0.00 179.25 179.06 3iaz h LEU 617 N 0.32 0.07 -1.89 0.00 3.38 -0.95 -2.39 115.31 113.84 3iaz h LEU 617 Ca 0.06 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.20 3iaz h LEU 617 Cb 0.43 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3iaz h LEU 617 CO 0.02 1.24 0.00 0.49 0.09 0.00 0.00 178.44 180.28 3iaz n PHE 618 N -4.46 0.06 -0.64 1.13 3.72 0.56 -0.28 117.46 117.56 3iaz n PHE 618 Ca -0.19 -0.21 -0.06 0.00 -0.05 0.00 0.00 57.45 56.95 3iaz n PHE 618 Cb 0.61 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 39.18 3iaz n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iaz n GLY 619 N 0.05 -2.43 0.20 1.37 0.00 0.67 -1.29 105.19 103.76 3iaz n GLY 619 Ca 0.03 -1.47 -0.02 0.00 0.00 0.00 0.00 46.02 44.56 3iaz n GLY 619 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3iaz h LYS 620 N 0.00 0.08 -0.49 1.61 3.64 -1.79 -1.48 116.57 118.14 3iaz h LYS 620 Ca -0.08 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 3iaz h LYS 620 Cb 0.24 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.97 3iaz h LYS 620 CO 0.05 0.05 0.10 0.09 -2.27 0.00 0.00 179.45 177.47 3iaz n ASN 621 N -5.27 3.98 -4.76 4.20 4.13 -1.26 -4.94 115.26 111.34 3iaz n ASN 621 Ca 0.05 -3.28 -0.35 0.00 1.68 0.00 0.00 54.58 52.69 3iaz n ASN 621 Cb 0.28 -0.65 0.03 0.00 -1.54 0.00 0.00 39.78 37.90 3iaz n ASN 621 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3iaz s GLY 622 N -1.70 2.57 0.41 7.41 0.00 -0.56 -4.90 107.32 110.56 3iaz s GLY 622 Ca 0.48 0.86 0.27 0.00 0.00 0.00 0.00 44.72 46.34 3iaz s GLY 622 CO 0.09 1.24 1.59 0.50 0.00 0.00 0.00 173.10 176.51 3iaz h LYS 623 N 0.72 0.02 0.00 2.90 6.56 -1.07 -2.37 116.57 123.32 3iaz h LYS 623 Ca -0.49 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.09 3iaz h LYS 623 Cb 1.28 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 3iaz h LYS 623 CO 0.55 0.01 -0.02 0.09 -2.06 0.00 0.00 179.45 178.03 3iaz n ASN 624 N -4.95 1.74 -4.37 0.86 3.02 0.61 -4.92 115.26 107.25 3iaz n ASN 624 Ca 0.39 -2.05 -0.33 0.00 -0.03 0.00 0.00 54.58 52.56 3iaz n ASN 624 Cb 1.43 -0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 40.38 3iaz n ASN 624 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iaz n PRO 626 N 3.73 2.47 -0.13 0.00 -0.02 -1.26 -4.40 135.00 135.39 3iaz n PRO 626 Ca -0.18 -1.97 -0.03 0.00 -2.02 0.00 0.00 63.50 59.29 3iaz n PRO 626 Cb 0.52 -1.30 -0.03 0.00 -0.02 0.00 0.00 33.50 32.68 3iaz n PRO 626 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3iaz n ASP 627 N 0.67 -0.32 -0.10 2.55 8.00 -1.19 -4.37 116.55 121.79 3iaz n ASP 627 Ca 0.12 1.17 -0.21 0.00 0.71 0.00 0.00 54.79 56.59 3iaz n ASP 627 Cb 0.43 -0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 41.07 3iaz n ASP 627 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3iaz n LYS 628 N -3.65 0.41 -3.67 -1.24 5.02 0.44 -5.06 118.16 110.41 3iaz n LYS 628 Ca 0.01 0.18 -0.11 0.00 -2.02 0.00 0.00 58.31 56.36 3iaz n LYS 628 Cb 0.08 -1.20 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 3iaz n LYS 628 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3iaz s PHE 629 N -2.36 -0.75 -0.25 2.13 5.36 -0.86 -5.04 117.98 116.22 3iaz s PHE 629 Ca -0.27 1.66 -0.00 0.00 -0.96 0.00 0.00 56.93 57.36 3iaz s PHE 629 Cb 0.10 0.34 0.04 0.00 -0.34 0.00 0.00 43.02 43.16 3iaz s PHE 629 CO 0.34 -0.37 -0.09 0.00 -1.46 0.00 0.00 175.22 173.64 3iaz h LEU 631 N 7.94 0.42 -3.78 0.00 5.85 -1.52 -3.00 115.31 121.22 3iaz h LEU 631 Ca -0.30 -0.04 -0.25 0.00 0.84 0.00 0.00 57.88 58.13 3iaz h LEU 631 Cb 1.09 -0.11 -0.15 0.00 0.37 0.00 0.00 40.66 41.86 3iaz h LEU 631 CO 0.55 0.39 0.32 0.49 -0.34 0.00 0.00 178.44 179.84 3iaz n PHE 632 N -4.40 2.55 -4.31 1.25 3.72 -1.26 -4.77 117.46 110.24 3iaz n PHE 632 Ca 0.02 -1.28 -0.18 0.00 -0.05 0.00 0.00 57.45 55.95 3iaz n PHE 632 Cb 0.14 -0.72 -0.15 0.00 -0.94 0.00 0.00 39.48 37.80 3iaz n PHE 632 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3iaz s LYS 633 N -3.04 0.72 0.00 -1.08 -0.14 -1.14 -4.31 119.74 110.76 3iaz s LYS 633 Ca 0.56 -0.27 0.00 0.00 -1.36 0.00 0.00 55.97 54.90 3iaz s LYS 633 Cb 0.45 -0.69 0.00 0.00 -1.68 0.00 0.00 37.83 35.91 3iaz s LYS 633 CO 0.13 0.14 0.66 -1.13 -0.76 0.00 0.00 175.35 174.40 3iaz n SER 634 N 3.06 -0.00 -3.22 2.83 3.41 -1.26 -4.88 113.62 113.56 3iaz n SER 634 Ca -0.15 -1.33 -0.15 0.00 -0.26 0.00 0.00 58.87 56.98 3iaz n SER 634 Cb 0.56 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.52 3iaz n SER 634 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iaz n GLU 635 N 0.00 -3.10 -1.56 4.33 1.02 -1.26 -3.15 120.64 116.92 3iaz n GLU 635 Ca -0.00 0.83 -0.19 0.00 -0.02 0.00 0.00 57.16 57.78 3iaz n GLU 635 Cb 0.57 -5.69 -0.08 0.00 -0.02 0.00 0.00 31.44 26.21 3iaz n GLU 635 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3iaz n THR 636 N -3.35 0.00 1.02 2.62 5.66 -1.26 -4.85 114.28 114.11 3iaz n THR 636 Ca -0.11 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 60.99 3iaz n THR 636 Cb 0.63 -1.92 0.01 0.00 -1.55 0.00 0.00 70.33 67.49 3iaz n THR 636 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3iaz n LYS 637 N -2.13 0.34 -3.89 1.09 5.02 -1.19 -4.83 118.16 112.57 3iaz n LYS 637 Ca -0.19 -0.26 -0.25 0.00 -2.02 0.00 0.00 58.31 55.58 3iaz n LYS 637 Cb 0.68 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.18 3iaz n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3iaz n ASN 638 N -1.10 -0.94 -4.67 4.39 3.02 -1.26 -4.92 115.26 109.78 3iaz n ASN 638 Ca 0.06 -0.98 -0.40 0.00 -0.03 0.00 0.00 54.58 53.23 3iaz n ASN 638 Cb 0.36 -3.23 -0.06 0.00 -0.61 0.00 0.00 39.78 36.25 3iaz n ASN 638 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iaz s LEU 639 N -6.87 4.16 0.00 3.41 1.43 -1.26 -4.33 118.68 115.21 3iaz s LEU 639 Ca 0.05 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 3iaz s LEU 639 Cb -0.02 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.30 3iaz s LEU 639 CO 0.87 -0.26 0.00 0.18 0.23 0.00 0.00 176.35 177.38 3iaz n LEU 640 N 4.93 0.00 -4.13 1.79 4.77 -1.26 -4.79 117.00 118.30 3iaz n LEU 640 Ca -0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 3iaz n LEU 640 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 3iaz n LEU 640 CO 0.44 0.00 -0.36 -0.36 -1.33 0.00 0.00 177.39 175.78 3iaz s PHE 641 N 0.00 0.72 0.40 -1.77 0.08 -1.26 -4.51 117.98 111.64 3iaz s PHE 641 Ca 0.00 -1.03 -0.26 0.00 0.12 0.00 0.00 56.93 55.76 3iaz s PHE 641 Cb 0.00 -0.46 -0.09 0.00 -0.57 0.00 0.00 43.02 41.91 3iaz s PHE 641 CO 0.00 -0.30 1.22 -0.80 -0.10 0.00 0.00 175.22 175.24 3iaz s ASN 642 N -2.99 6.45 0.54 1.36 0.01 -1.26 -4.48 114.94 114.57 3iaz s ASN 642 Ca 0.11 2.48 0.30 0.00 -0.71 0.00 0.00 52.86 55.04 3iaz s ASN 642 Cb 0.07 -2.62 1.55 0.00 0.41 0.00 0.00 41.25 40.65 3iaz s ASN 642 CO -0.06 -0.74 2.10 0.44 -1.51 0.00 0.00 177.10 177.33 3iaz h ASP 643 N 2.69 0.00 -0.04 -1.22 3.32 -1.90 -2.49 116.42 116.78 3iaz h ASP 643 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3iaz h ASP 643 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3iaz h ASP 643 CO 0.63 0.09 0.00 -0.46 -1.72 0.00 0.00 179.24 177.78 3iaz n ASN 644 N -3.51 0.57 -4.70 6.45 0.23 -1.26 -4.80 115.26 108.23 3iaz n ASN 644 Ca -0.02 -1.43 -0.42 0.00 -0.53 0.00 0.00 54.58 52.19 3iaz n ASN 644 Cb 0.23 -0.03 -0.03 0.00 -2.08 0.00 0.00 39.78 37.87 3iaz n ASN 644 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3iaz s THR 645 N -1.95 2.87 -0.12 5.53 2.01 -0.94 -4.41 115.64 118.63 3iaz s THR 645 Ca 0.34 0.48 -0.14 0.00 0.31 0.00 0.00 61.69 62.67 3iaz s THR 645 Cb 0.16 -3.31 -0.26 0.00 0.01 0.00 0.00 72.50 69.11 3iaz s THR 645 CO 0.27 0.02 0.47 -0.08 -0.69 0.00 0.00 174.62 174.60 3iaz h GLU 646 N 7.63 0.22 -2.94 4.92 4.81 -0.94 -3.46 114.58 124.82 3iaz h GLU 646 Ca -0.43 -0.38 0.05 0.00 -0.13 0.00 0.00 59.36 58.48 3iaz h GLU 646 Cb 1.20 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 3iaz h GLU 646 CO 0.92 1.18 0.27 0.00 -0.73 0.00 0.00 179.01 180.66 3iaz s LEU 648 N -2.99 4.23 0.09 0.00 1.43 -1.26 -0.62 118.68 119.56 3iaz s LEU 648 Ca 0.13 0.36 0.07 0.00 -1.03 0.00 0.00 54.13 53.66 3iaz s LEU 648 Cb -0.05 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 3iaz s LEU 648 CO 0.08 0.16 -0.10 0.00 0.23 0.00 0.00 176.35 176.72 3iaz s ALA 649 N 0.34 2.95 0.47 4.21 0.00 0.88 -4.64 121.76 125.96 3iaz s ALA 649 Ca 0.12 -1.22 -0.22 0.00 0.00 0.00 0.00 51.96 50.64 3iaz s ALA 649 Cb -0.12 -0.91 -0.08 0.00 0.00 0.00 0.00 23.12 22.02 3iaz s ALA 649 CO 0.01 0.64 1.10 0.15 0.00 0.00 0.00 175.76 177.66 3iaz s LYS 650 N -2.11 3.79 -0.04 0.00 1.02 -0.31 -1.32 119.74 120.78 3iaz s LYS 650 Ca 0.21 1.59 -0.01 0.00 0.02 0.00 0.00 55.97 57.77 3iaz s LYS 650 Cb -0.11 -2.30 -0.00 0.00 -0.52 0.00 0.00 37.83 34.90 3iaz s LYS 650 CO 0.13 -0.48 -0.03 -0.07 -0.92 0.00 0.00 175.35 173.98 3iaz h LEU 651 N 1.89 0.00 -0.45 3.17 3.38 -1.90 -3.46 115.31 117.94 3iaz h LEU 651 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3iaz h LEU 651 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3iaz h LEU 651 CO 0.60 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.92 3iaz n GLY 652 N 1.82 -1.93 0.60 0.83 0.00 -1.26 -4.73 105.19 100.53 3iaz n GLY 652 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3iaz n GLY 652 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaz n GLY 653 N 0.86 0.60 3.54 -0.02 0.00 -1.26 -4.55 105.19 104.37 3iaz n GLY 653 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3iaz n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iaz n ARG 654 N -2.00 -1.80 -1.14 1.61 1.74 -1.26 -4.82 116.66 108.99 3iaz n ARG 654 Ca 0.00 1.24 -0.34 0.00 -0.77 0.00 0.00 57.85 57.98 3iaz n ARG 654 Cb 0.00 -2.59 0.12 0.00 -1.02 0.00 0.00 32.46 28.96 3iaz n ARG 654 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3iaz n PRO 655 N -1.16 0.21 -2.68 5.56 -0.02 -1.26 -5.05 135.00 130.60 3iaz n PRO 655 Ca -0.15 0.14 -0.21 0.00 -2.02 0.00 0.00 63.50 61.26 3iaz n PRO 655 Cb 0.66 -2.30 0.04 0.00 -0.02 0.00 0.00 33.50 31.88 3iaz n PRO 655 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3iaz s THR 656 N -2.07 2.65 0.35 3.45 -4.23 -1.26 -4.77 115.64 109.75 3iaz s THR 656 Ca 0.71 -0.70 0.06 0.00 -1.18 0.00 0.00 61.69 60.58 3iaz s THR 656 Cb -0.30 -2.94 0.15 0.00 1.34 0.00 0.00 72.50 70.75 3iaz s THR 656 CO 0.53 0.00 1.88 0.10 -0.54 0.00 0.00 174.62 176.58 3iaz h TYR 657 N 0.09 0.43 -0.52 3.99 -0.00 -1.94 -1.20 116.97 117.81 3iaz h TYR 657 Ca -0.41 -0.05 -0.09 0.00 0.00 0.00 0.00 58.73 58.18 3iaz h TYR 657 Cb 1.29 -0.12 -0.02 0.00 0.00 0.00 0.00 36.73 37.88 3iaz h TYR 657 CO 0.33 0.49 -0.02 0.93 -0.00 0.00 0.00 178.16 179.89 3iaz h GLU 658 N 0.39 0.93 -0.30 0.10 5.08 -1.96 -1.59 114.58 117.24 3iaz h GLU 658 Ca 0.08 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 3iaz h GLU 658 Cb 0.38 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3iaz h GLU 658 CO 0.02 0.96 -0.33 0.93 -1.00 0.00 0.00 179.01 179.59 3iaz h GLU 659 N 0.80 0.64 -0.30 2.33 5.08 -1.86 -0.74 114.58 120.53 3iaz h GLU 659 Ca 0.14 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3iaz h GLU 659 Cb 0.55 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3iaz h GLU 659 CO 0.03 0.88 0.06 -0.92 -1.00 0.00 0.00 179.01 178.06 3iaz h TYR 660 N 0.54 0.52 -0.08 4.33 3.20 -1.04 -3.09 116.97 121.36 3iaz h TYR 660 Ca 0.06 -0.07 -0.17 0.00 3.14 0.00 0.00 58.73 61.69 3iaz h TYR 660 Cb 0.82 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3iaz h TYR 660 CO 0.04 0.57 -0.68 -0.07 -1.64 0.00 0.00 178.16 176.38 3iaz h LEU 661 N 0.32 0.41 0.00 2.82 3.38 -1.27 -3.48 115.31 117.51 3iaz h LEU 661 Ca 0.09 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3iaz h LEU 661 Cb 0.32 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3iaz h LEU 661 CO 0.00 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.12 3iaz n GLY 662 N 0.45 1.44 0.23 0.83 0.00 -0.29 -4.38 105.19 103.47 3iaz n GLY 662 Ca -0.03 -1.62 0.07 0.00 0.00 0.00 0.00 46.02 44.43 3iaz n GLY 662 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3iaz h THR 663 N 0.00 1.02 0.05 2.61 2.02 -1.89 -1.77 112.91 114.94 3iaz h THR 663 Ca 0.00 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 3iaz h THR 663 Cb 0.00 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3iaz h THR 663 CO 0.00 0.16 -0.02 -0.08 0.37 0.00 0.00 175.52 175.95 3iaz h GLU 664 N 0.00 -0.06 -0.49 6.66 4.81 -1.95 -2.62 114.58 120.92 3iaz h GLU 664 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 3iaz h GLU 664 Cb 0.31 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3iaz h GLU 664 CO 0.02 0.10 -0.18 -0.92 -0.73 0.00 0.00 179.01 177.30 3iaz h TYR 665 N -0.22 1.13 -0.96 0.92 3.20 -1.70 -2.97 116.97 116.37 3iaz h TYR 665 Ca -0.01 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.60 3iaz h TYR 665 Cb 0.19 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 3iaz h TYR 665 CO -0.02 1.09 0.61 0.28 -1.64 0.00 0.00 178.16 178.48 3iaz h VAL 666 N 0.85 1.25 -0.07 1.81 2.07 -1.31 -1.72 116.25 119.13 3iaz h VAL 666 Ca 0.12 -0.50 -0.17 0.00 0.82 0.00 0.00 66.70 66.97 3iaz h VAL 666 Cb 0.76 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3iaz h VAL 666 CO 0.06 0.25 -0.68 0.71 0.02 0.00 0.00 177.57 177.94 3iaz h THR 667 N 1.31 1.39 -0.04 2.57 1.35 -1.47 -1.76 112.91 116.26 3iaz h THR 667 Ca 0.35 -2.10 0.04 0.00 -0.55 0.00 0.00 66.41 64.14 3iaz h THR 667 Cb -0.11 2.08 -0.05 0.00 -1.73 0.00 0.00 68.15 68.33 3iaz h THR 667 CO -0.07 0.63 -0.28 0.00 -0.25 0.00 0.00 175.52 175.54 3iaz h ALA 668 N 1.06 -0.37 -0.44 6.62 0.00 -1.22 -1.87 119.26 123.03 3iaz h ALA 668 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iaz h ALA 668 Cb 1.22 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 3iaz h ALA 668 CO 0.11 -0.78 0.28 0.82 0.00 0.00 0.00 179.25 179.68 3iaz h ILE 669 N -0.41 1.13 -0.41 0.00 2.04 -1.20 -2.59 117.51 116.08 3iaz h ILE 669 Ca 0.07 -0.27 0.08 0.00 1.00 0.00 0.00 64.86 65.74 3iaz h ILE 669 Cb 0.51 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 3iaz h ILE 669 CO -0.27 0.13 -0.04 0.00 0.00 0.00 0.00 178.15 177.97 3iaz h ALA 670 N 1.14 0.33 -0.57 1.87 0.00 -1.08 -0.33 119.26 120.62 3iaz h ALA 670 Ca 0.16 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3iaz h ALA 670 Cb -0.03 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3iaz h ALA 670 CO -0.03 -0.42 0.17 -0.91 0.00 0.00 0.00 179.25 178.06 3iaz h ASN 671 N 0.06 0.79 -0.38 0.00 2.35 -1.25 -2.69 115.58 114.47 3iaz h ASN 671 Ca 0.20 -0.13 -0.15 0.00 -0.55 0.00 0.00 56.30 55.67 3iaz h ASN 671 Cb 0.29 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3iaz h ASN 671 CO -0.37 0.75 -0.34 0.25 -1.65 0.00 0.00 177.43 176.07 3iaz h LEU 672 N 0.83 0.97 -2.00 1.61 5.85 -1.06 -3.06 115.31 118.46 3iaz h LEU 672 Ca 0.19 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3iaz h LEU 672 Cb 0.25 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3iaz h LEU 672 CO -0.01 1.21 -0.00 0.11 -0.34 0.00 0.00 178.44 179.41 3iaz h LYS 673 N 0.76 0.00 0.00 1.25 1.79 -0.75 -1.70 116.57 117.92 3iaz h LYS 673 Ca 0.07 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3iaz h LYS 673 Cb 0.92 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.57 3iaz h LYS 673 CO 0.09 0.00 -0.02 0.87 -1.08 0.00 0.00 179.45 179.31 3iaz h LYS 674 N 0.00 0.00 0.00 3.15 1.57 -1.38 -2.32 116.57 117.58 3iaz h LYS 674 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3iaz h LYS 674 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3iaz h LYS 674 CO 0.00 0.02 -0.28 0.00 -0.57 0.00 0.00 179.45 178.62 3iaz n SER 676 N -3.22 2.26 -0.00 0.00 7.64 -0.88 -5.03 113.62 114.37 3iaz n SER 676 Ca 0.02 -0.02 0.01 0.00 1.01 0.00 0.00 58.87 59.89 3iaz n SER 676 Cb 0.59 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 3iaz n SER 676 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3iaz n LEU 681 N -3.27 0.00 -4.47 -3.43 4.32 -1.26 -5.17 117.00 103.73 3iaz n LEU 681 Ca -0.35 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.29 3iaz n LEU 681 Cb 0.84 0.02 -0.12 0.00 -1.62 0.00 0.00 43.42 42.54 3iaz n LEU 681 CO 0.15 0.02 -0.34 -1.61 -1.22 0.00 0.00 177.39 174.39 3iaz s GLU 682 N -2.20 3.64 -0.08 3.23 8.01 -1.26 -5.02 118.70 125.02 3iaz s GLU 682 Ca -0.01 -0.52 -0.32 0.00 0.01 0.00 0.00 54.97 54.13 3iaz s GLU 682 Cb 0.02 -3.00 0.13 0.00 -4.31 0.00 0.00 34.13 26.97 3iaz s GLU 682 CO 0.14 0.12 1.39 0.00 0.01 0.00 0.00 175.26 176.92 3iaz s ALA 683 N 0.69 -2.53 -0.14 5.21 0.00 -1.26 -5.14 121.76 118.58 3iaz s ALA 683 Ca -0.01 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 3iaz s ALA 683 Cb -0.14 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 3iaz s ALA 683 CO 0.02 -1.09 -0.10 0.00 0.00 0.00 0.00 175.76 174.59 3iaz n ALA 685 N 3.56 1.31 0.34 0.00 0.00 -1.26 -5.08 120.51 119.37 3iaz n ALA 685 Ca -0.18 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.29 3iaz n ALA 685 Cb 0.53 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.88 3iaz n ALA 685 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69