#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iug n VAL 369 N 0.00 0.59 -2.34 5.15 0.31 -1.26 -4.67 118.33 116.11 3iug n VAL 369 Ca 0.00 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.83 3iug n VAL 369 Cb 0.00 -1.65 -0.03 0.00 -0.91 0.00 0.00 33.84 31.26 3iug n VAL 369 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3iug s PHE 370 N -2.18 2.90 0.00 3.52 0.08 -1.26 -1.95 117.98 119.09 3iug s PHE 370 Ca -0.12 0.96 0.00 0.00 0.12 0.00 0.00 56.93 57.88 3iug s PHE 370 Cb 0.04 -3.56 0.00 0.00 -0.57 0.00 0.00 43.02 38.94 3iug s PHE 370 CO 0.16 -1.97 0.00 0.41 -0.10 0.00 0.00 175.22 173.71 3iug n GLY 371 N 3.58 1.15 3.76 4.36 0.00 -1.24 -5.05 105.19 111.74 3iug n GLY 371 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3iug n GLY 371 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iug n ASP 373 N 2.13 1.11 0.09 0.00 2.03 -1.26 -4.62 116.55 116.04 3iug n ASP 373 Ca -0.04 1.16 -0.12 0.00 0.52 0.00 0.00 54.79 56.30 3iug n ASP 373 Cb 0.49 -1.22 -0.05 0.00 -0.72 0.00 0.00 41.12 39.62 3iug n ASP 373 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3iug h LEU 374 N 2.66 -0.47 -0.49 -2.67 5.85 -1.95 0.21 115.31 118.45 3iug h LEU 374 Ca -0.41 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.40 3iug h LEU 374 Cb 1.35 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.53 3iug h LEU 374 CO 0.65 -0.24 0.28 1.23 -0.34 0.00 0.00 178.44 180.03 3iug h GLY 375 N -0.32 0.69 0.94 3.75 0.00 -1.93 -1.00 103.07 105.19 3iug h GLY 375 Ca 0.03 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.17 3iug h GLY 375 CO -0.11 0.17 0.35 0.83 0.00 0.00 0.00 176.54 177.79 3iug h GLU 376 N 0.57 0.68 -0.77 4.80 5.08 -1.84 -0.47 114.58 122.63 3iug h GLU 376 Ca 0.20 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3iug h GLU 376 Cb 0.04 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3iug h GLU 376 CO -0.10 0.45 0.38 1.25 -1.00 0.00 0.00 179.01 179.99 3iug h HIS 377 N 0.70 1.10 0.00 4.33 2.76 -0.22 -1.63 115.15 122.19 3iug h HIS 377 Ca 0.21 -0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 58.22 3iug h HIS 377 Cb -0.03 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.57 3iug h HIS 377 CO -0.05 0.80 -0.55 -0.07 -1.30 0.00 0.00 177.93 176.76 3iug h LEU 378 N 1.08 0.00 -0.29 0.26 3.38 -0.65 -0.76 115.31 118.32 3iug h LEU 378 Ca 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 3iug h LEU 378 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3iug h LEU 378 CO -0.03 0.55 0.02 -0.07 0.09 0.00 0.00 178.44 178.99 3iug h LEU 379 N 0.00 0.49 -0.28 1.67 3.38 -0.97 -1.63 115.31 117.97 3iug h LEU 379 Ca -0.01 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.74 3iug h LEU 379 Cb 1.31 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 3iug h LEU 379 CO 0.07 0.66 -0.17 0.78 0.09 0.00 0.00 178.44 179.87 3iug h ASN 380 N 0.31 -0.57 1.00 -0.43 2.35 -1.08 -3.31 115.58 113.85 3iug h ASN 380 Ca 0.09 0.12 -0.19 0.00 -0.55 0.00 0.00 56.30 55.76 3iug h ASN 380 Cb 0.39 0.30 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 3iug h ASN 380 CO 0.01 -0.21 -1.05 0.77 -1.65 0.00 0.00 177.43 175.30 3iug h SER 381 N -0.14 0.00 0.00 5.81 4.64 -1.17 -3.49 113.55 119.20 3iug h SER 381 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3iug h SER 381 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3iug h SER 381 CO -0.37 0.83 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 3iug n GLY 382 N 1.36 2.78 3.82 -0.77 0.00 -0.61 -5.03 105.19 106.74 3iug n GLY 382 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3iug n GLY 382 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iug s PHE 383 N -2.58 3.13 0.10 1.61 0.08 -1.26 -4.99 117.98 114.09 3iug s PHE 383 Ca 0.00 1.43 -0.13 0.00 0.12 0.00 0.00 56.93 58.35 3iug s PHE 383 Cb 0.00 -2.89 -0.15 0.00 -0.57 0.00 0.00 43.02 39.42 3iug s PHE 383 CO 0.00 -1.16 1.32 0.93 -0.10 0.00 0.00 175.22 176.22 3iug h GLU 384 N -0.46 0.81 -4.80 0.44 4.39 -1.96 -3.46 114.58 109.54 3iug h GLU 384 Ca -0.44 -0.63 -0.30 0.00 0.34 0.00 0.00 59.36 58.33 3iug h GLU 384 Cb 1.21 0.12 -0.15 0.00 -0.10 0.00 0.00 28.75 29.84 3iug h GLU 384 CO 0.57 1.24 -0.65 0.14 -1.16 0.00 0.00 179.01 179.16 3iug s VAL 385 N -3.82 0.62 0.29 3.13 -7.23 -1.26 -4.66 120.40 107.48 3iug s VAL 385 Ca -0.10 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 57.78 3iug s VAL 385 Cb 0.09 -2.23 -0.11 0.00 0.56 0.00 0.00 36.38 34.68 3iug s VAL 385 CO 0.90 -0.37 1.59 -2.84 -0.31 0.00 0.00 175.10 174.08 3iug s PRO 386 N -3.95 4.12 0.30 4.82 0.02 -1.26 -4.84 135.00 134.21 3iug s PRO 386 Ca 0.27 2.58 0.03 0.00 0.02 0.00 0.00 61.00 63.90 3iug s PRO 386 Cb 0.06 -3.02 0.61 0.00 0.02 0.00 0.00 34.50 32.17 3iug s PRO 386 CO 0.06 -0.63 1.86 0.37 -0.33 0.00 0.00 177.00 178.32 3iug h GLN 387 N 4.86 0.90 -0.54 5.54 5.75 -1.99 -0.58 115.11 129.06 3iug h GLN 387 Ca -0.47 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 57.96 3iug h GLN 387 Cb 1.22 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.54 3iug h GLN 387 CO 0.79 0.60 0.28 -0.24 -2.65 0.00 0.00 178.83 177.61 3iug h VAL 388 N 0.93 1.17 -0.33 2.39 3.04 -1.96 0.23 116.25 121.73 3iug h VAL 388 Ca 0.47 -0.46 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 3iug h VAL 388 Cb 0.50 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.23 3iug h VAL 388 CO -0.23 0.20 0.08 0.25 -1.01 0.00 0.00 177.57 176.86 3iug h LEU 389 N 0.75 0.49 -0.49 3.16 5.85 -1.50 -1.26 115.31 122.31 3iug h LEU 389 Ca 0.19 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3iug h LEU 389 Cb 0.05 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3iug h LEU 389 CO -0.03 0.59 0.18 1.56 -0.34 0.00 0.00 178.44 180.41 3iug h GLN 390 N 0.37 0.74 -0.31 1.25 4.20 -0.39 -0.66 115.11 120.31 3iug h GLN 390 Ca 0.10 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3iug h GLN 390 Cb 0.29 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3iug h GLN 390 CO 0.00 0.67 0.13 0.77 -0.67 0.00 0.00 178.83 179.73 3iug h SER 391 N 0.65 0.42 -0.35 1.46 0.02 -0.53 -1.82 113.55 113.41 3iug h SER 391 Ca 0.16 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 3iug h SER 391 Cb 0.21 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3iug h SER 391 CO -0.01 0.46 -0.26 0.00 -1.14 0.00 0.00 176.83 175.88 3iug h THR 393 N 0.57 1.29 -0.54 0.00 1.35 -1.10 -1.25 112.91 113.23 3iug h THR 393 Ca 0.07 -1.32 -0.03 0.00 -0.55 0.00 0.00 66.41 64.58 3iug h THR 393 Cb 0.82 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 3iug h THR 393 CO 0.07 0.43 0.23 0.00 -0.25 0.00 0.00 175.52 176.00 3iug h ALA 394 N 0.75 0.70 -0.25 6.62 0.00 -1.32 0.50 119.26 126.27 3iug h ALA 394 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iug h ALA 394 Cb 0.74 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3iug h ALA 394 CO 0.05 0.29 0.16 0.35 0.00 0.00 0.00 179.25 180.10 3iug h PHE 395 N 0.73 0.30 -0.58 0.00 3.57 -1.26 -2.57 116.94 117.13 3iug h PHE 395 Ca 0.18 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3iug h PHE 395 Cb 0.17 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3iug h PHE 395 CO 0.00 0.19 0.14 0.82 -2.23 0.00 0.00 178.31 177.23 3iug h ILE 396 N 0.33 1.25 0.00 1.41 2.04 -0.78 0.14 117.51 121.89 3iug h ILE 396 Ca 0.09 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 3iug h ILE 396 Cb -0.03 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3iug h ILE 396 CO -0.03 0.34 -0.22 -0.33 0.00 0.00 0.00 178.15 177.91 3iug h GLU 397 N 0.84 0.00 0.02 2.37 5.08 -0.78 0.84 114.58 122.96 3iug h GLU 397 Ca 0.18 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.15 3iug h GLU 397 Cb 0.36 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 3iug h GLU 397 CO 0.00 0.22 -2.31 -2.13 -1.00 0.00 0.00 179.01 173.79 3iug n ARG 398 N -4.24 0.65 -0.00 2.33 0.63 -0.98 -4.70 116.66 110.34 3iug n ARG 398 Ca -0.02 0.23 0.06 0.00 -0.92 0.00 0.00 57.85 57.20 3iug n ARG 398 Cb 0.28 -1.57 -0.07 0.00 0.45 0.00 0.00 32.46 31.55 3iug n ARG 398 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3iug n TYR 399 N -3.64 0.00 -1.56 -0.14 4.01 0.46 -4.70 117.16 111.59 3iug n TYR 399 Ca -0.44 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.36 3iug n TYR 399 Cb 0.95 -0.03 0.20 0.00 -0.31 0.00 0.00 39.34 40.15 3iug n TYR 399 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iug n GLY 400 N 1.34 5.13 3.53 2.72 0.00 0.29 -4.84 105.19 113.35 3iug n GLY 400 Ca 0.02 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 3iug n GLY 400 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iug s ILE 401 N -3.21 4.44 0.08 -0.61 -1.09 -1.20 -4.83 121.20 114.78 3iug s ILE 401 Ca 0.38 -2.09 0.04 0.00 -2.23 0.00 0.00 60.65 56.75 3iug s ILE 401 Cb 0.36 -5.08 -0.03 0.00 -1.58 0.00 0.00 42.46 36.13 3iug s ILE 401 CO -0.06 -1.87 -0.10 0.68 -1.23 0.00 0.00 174.94 172.36 3iug s VAL 402 N 3.31 0.88 0.03 2.92 -7.23 -1.26 -4.88 120.40 114.17 3iug s VAL 402 Ca 0.49 -1.45 -0.38 0.00 -1.81 0.00 0.00 61.98 58.83 3iug s VAL 402 Cb 0.01 -1.14 -0.17 0.00 0.56 0.00 0.00 36.38 35.64 3iug s VAL 402 CO 0.04 -0.46 1.37 -0.67 -0.31 0.00 0.00 175.10 175.07 3iug n ASP 403 N 0.89 1.59 -0.05 4.85 2.03 -1.23 -2.43 116.55 122.21 3iug n ASP 403 Ca -0.19 1.12 -0.01 0.00 0.52 0.00 0.00 54.79 56.24 3iug n ASP 403 Cb 0.56 -1.16 -0.00 0.00 -0.72 0.00 0.00 41.12 39.80 3iug n ASP 403 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3iug n GLY 404 N 2.65 0.47 3.61 0.27 0.00 -0.28 -4.93 105.19 106.99 3iug n GLY 404 Ca 0.20 -0.49 -0.49 0.00 0.00 0.00 0.00 46.02 45.23 3iug n GLY 404 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3iug n ILE 405 N -2.95 0.32 -0.02 -0.61 0.13 -1.02 -0.24 119.36 114.97 3iug n ILE 405 Ca -0.01 -0.08 0.00 0.00 -1.10 0.00 0.00 62.75 61.56 3iug n ILE 405 Cb 0.04 -1.01 0.00 0.00 -0.84 0.00 0.00 39.64 37.83 3iug n ILE 405 CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 3iug n TYR 406 N 2.34 0.00 -0.11 9.51 4.01 -1.26 -4.73 117.16 126.93 3iug n TYR 406 Ca 0.17 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.70 3iug n TYR 406 Cb 0.23 -0.63 -0.10 0.00 -0.31 0.00 0.00 39.34 38.53 3iug n TYR 406 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3iug n ARG 407 N -2.00 0.56 -2.26 -0.72 0.63 0.66 -4.94 116.66 108.59 3iug n ARG 407 Ca 0.00 0.53 -0.34 0.00 -0.92 0.00 0.00 57.85 57.11 3iug n ARG 407 Cb 0.00 -1.70 -0.00 0.00 0.45 0.00 0.00 32.46 31.20 3iug n ARG 407 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3iug s LEU 408 N -7.86 3.72 0.10 6.15 1.43 -0.23 -5.06 118.68 116.93 3iug s LEU 408 Ca -0.29 2.08 0.06 0.00 -1.03 0.00 0.00 54.13 54.95 3iug s LEU 408 Cb 0.07 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 3iug s LEU 408 CO 0.54 -1.16 -0.07 -0.44 0.23 0.00 0.00 176.35 175.46 3iug s SER 409 N -1.97 4.61 0.99 2.29 0.01 -1.26 -4.78 113.70 113.59 3iug s SER 409 Ca 0.70 -0.31 -0.16 0.00 1.31 0.00 0.00 55.95 57.48 3iug s SER 409 Cb -0.21 -0.96 0.21 0.00 0.21 0.00 0.00 66.02 65.27 3iug s SER 409 CO 0.27 0.18 1.32 -0.83 0.41 0.00 0.00 173.24 174.59 3iug s GLY 410 N -2.25 1.78 0.05 3.44 0.00 -1.16 -4.75 107.32 104.44 3iug s GLY 410 Ca 0.23 -1.23 -0.28 0.00 0.00 0.00 0.00 44.72 43.44 3iug s GLY 410 CO 0.15 -0.43 0.88 0.14 0.00 0.00 0.00 173.10 173.84 3iug s VAL 411 N -3.87 4.72 0.26 1.40 1.01 -1.26 -4.86 120.40 117.79 3iug s VAL 411 Ca 0.75 1.87 -0.02 0.00 0.00 0.00 0.00 61.98 64.58 3iug s VAL 411 Cb -0.04 -4.23 0.24 0.00 0.00 0.00 0.00 36.38 32.35 3iug s VAL 411 CO 0.53 0.28 1.71 0.00 0.00 0.00 0.00 175.10 177.63 3iug h ALA 412 N 6.03 1.13 -0.26 5.51 0.00 -2.00 -0.35 119.26 129.33 3iug h ALA 412 Ca -0.42 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3iug h ALA 412 Cb 1.21 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3iug h ALA 412 CO 0.73 -0.26 -0.14 0.66 0.00 0.00 0.00 179.25 180.24 3iug h SER 413 N 0.41 0.43 0.07 0.00 4.64 -1.99 -1.67 113.55 115.43 3iug h SER 413 Ca 0.45 -0.11 -0.21 0.00 -0.47 0.00 0.00 61.79 61.45 3iug h SER 413 Cb 0.74 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3iug h SER 413 CO -0.45 0.60 -0.77 0.78 -0.87 0.00 0.00 176.83 176.11 3iug h ASN 414 N 0.41 0.71 -0.15 4.97 2.35 -1.50 -1.83 115.58 120.55 3iug h ASN 414 Ca 0.08 -0.48 -0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3iug h ASN 414 Cb 0.49 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3iug h ASN 414 CO 0.03 1.25 0.08 0.40 -1.65 0.00 0.00 177.43 177.54 3iug h ILE 415 N 0.40 1.10 -0.89 2.81 2.04 -1.15 -2.15 117.51 119.66 3iug h ILE 415 Ca -0.05 -0.28 0.07 0.00 1.00 0.00 0.00 64.86 65.61 3iug h ILE 415 Cb 1.38 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.41 3iug h ILE 415 CO 0.15 0.09 0.56 1.56 0.00 0.00 0.00 178.15 180.50 3iug h GLN 416 N 0.14 0.97 -0.58 2.37 1.08 -1.30 0.48 115.11 118.27 3iug h GLN 416 Ca 0.05 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 3iug h GLN 416 Cb 0.08 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 3iug h GLN 416 CO -0.01 0.64 0.27 0.00 -0.95 0.00 0.00 178.83 178.78 3iug h ARG 417 N 1.00 0.84 -0.36 1.46 -0.00 -1.12 -0.89 114.38 115.31 3iug h ARG 417 Ca 0.40 -0.13 -0.04 0.00 -0.50 0.00 0.00 59.98 59.70 3iug h ARG 417 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.01 3iug h ARG 417 CO -0.19 0.69 0.06 -0.07 0.00 0.00 0.00 179.97 180.46 3iug h LEU 418 N 0.78 0.57 -0.30 3.04 3.38 -0.91 -2.30 115.31 119.57 3iug h LEU 418 Ca 0.20 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.97 3iug h LEU 418 Cb 0.14 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3iug h LEU 418 CO -0.02 0.69 -0.13 -0.09 0.09 0.00 0.00 178.44 178.97 3iug h ARG 419 N 0.43 -0.08 -0.58 1.13 2.43 -0.73 -1.39 114.38 115.60 3iug h ARG 419 Ca 0.11 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.38 3iug h ARG 419 Cb 0.36 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.85 3iug h ARG 419 CO 0.01 -0.05 0.15 1.25 -1.51 0.00 0.00 179.97 179.82 3iug h HIS 420 N -0.08 0.26 -0.42 2.20 2.76 -0.97 -0.31 115.15 118.58 3iug h HIS 420 Ca 0.15 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 3iug h HIS 420 Cb 0.31 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 3iug h HIS 420 CO -0.33 0.02 0.10 0.93 -1.30 0.00 0.00 177.93 177.35 3iug h GLU 421 N 0.30 0.68 0.00 5.26 4.39 -0.78 -2.10 114.58 122.34 3iug h GLU 421 Ca 0.30 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 3iug h GLU 421 Cb 0.41 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 3iug h GLU 421 CO -0.35 0.69 -0.29 0.74 -1.16 0.00 0.00 179.01 178.64 3iug h PHE 422 N 0.55 0.00 0.00 4.33 0.04 -1.00 -2.75 116.94 118.12 3iug h PHE 422 Ca 0.13 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 3iug h PHE 422 Cb 0.32 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 3iug h PHE 422 CO 0.02 0.29 -0.01 -0.44 -0.60 0.00 0.00 178.31 177.57 3iug h ASP 423 N 0.00 0.00 -0.47 2.17 3.32 -0.64 -3.39 116.42 117.42 3iug h ASP 423 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3iug h ASP 423 Cb 0.62 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3iug h ASP 423 CO 0.04 0.01 0.04 -1.20 -1.72 0.00 0.00 179.24 176.40 3iug n SER 424 N -3.10 4.78 -0.11 6.45 7.64 -0.83 -4.07 113.62 124.37 3iug n SER 424 Ca 0.03 -3.05 -0.01 0.00 1.01 0.00 0.00 58.87 56.84 3iug n SER 424 Cb 0.44 -0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 62.99 3iug n SER 424 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3iug n GLU 425 N -0.00 -0.63 -4.05 1.43 0.00 -1.26 -5.02 120.64 111.11 3iug n GLU 425 Ca 0.28 0.29 -0.29 0.00 0.00 0.00 0.00 57.16 57.43 3iug n GLU 425 Cb 1.11 -3.85 -0.06 0.00 0.00 0.00 0.00 31.44 28.63 3iug n GLU 425 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 3iug s HIS 426 N -1.79 3.21 -0.45 -1.84 0.00 -1.19 -5.10 115.29 108.12 3iug s HIS 426 Ca 0.00 0.07 0.04 0.00 -3.00 0.00 0.00 55.06 52.16 3iug s HIS 426 Cb 0.00 -1.60 0.12 0.00 -4.00 0.00 0.00 32.58 27.10 3iug s HIS 426 CO 0.00 0.53 0.19 0.14 -1.00 0.00 0.00 174.74 174.60 3iug s VAL 427 N -1.50 2.32 0.47 -5.38 -7.23 -1.26 -4.21 120.40 103.61 3iug s VAL 427 Ca 0.30 -2.91 -0.24 0.00 -1.81 0.00 0.00 61.98 57.33 3iug s VAL 427 Cb -0.12 -2.64 -0.07 0.00 0.56 0.00 0.00 36.38 34.11 3iug s VAL 427 CO 0.23 -0.75 1.36 -2.16 -0.31 0.00 0.00 175.10 173.47 3iug s PRO 428 N 0.17 3.59 -0.56 4.82 0.04 -1.26 -4.94 135.00 136.85 3iug s PRO 428 Ca 0.15 2.25 -0.21 0.00 0.04 0.00 0.00 61.00 63.23 3iug s PRO 428 Cb -0.24 -2.53 0.06 0.00 0.04 0.00 0.00 34.50 31.83 3iug s PRO 428 CO -0.03 -0.84 0.79 0.34 0.04 0.00 0.00 177.00 177.31 3iug s ASP 429 N -0.77 6.24 0.31 6.66 -1.08 -1.26 -4.90 116.67 121.87 3iug s ASP 429 Ca 0.64 -0.83 0.26 0.00 -0.52 0.00 0.00 52.55 52.09 3iug s ASP 429 Cb -0.40 -2.36 1.00 0.00 -1.46 0.00 0.00 42.92 39.70 3iug s ASP 429 CO 0.50 -1.13 1.77 -0.07 0.52 0.00 0.00 175.17 176.76 3iug h LEU 430 N 10.44 0.00 0.00 -1.34 3.38 -1.95 -2.90 115.31 122.93 3iug h LEU 430 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3iug h LEU 430 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3iug h LEU 430 CO 1.06 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.94 3iug n THR 431 N -2.44 0.51 -4.30 0.22 -2.24 -1.26 -2.60 114.28 102.16 3iug n THR 431 Ca 0.02 0.13 -0.24 0.00 -2.27 0.00 0.00 64.05 61.70 3iug n THR 431 Cb 0.29 -0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 67.65 3iug n THR 431 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3iug s LYS 432 N -2.78 2.25 0.70 -0.78 3.01 -1.10 -4.76 119.74 116.29 3iug s LYS 432 Ca 0.15 -1.40 -0.15 0.00 -1.01 0.00 0.00 55.97 53.55 3iug s LYS 432 Cb 0.13 -2.15 0.02 0.00 -1.01 0.00 0.00 37.83 34.82 3iug s LYS 432 CO 0.33 0.38 1.18 -1.21 0.51 0.00 0.00 175.35 176.54 3iug s GLU 433 N -3.54 2.40 -0.01 1.68 0.41 -1.26 -1.81 118.70 116.57 3iug s GLU 433 Ca 0.30 1.67 0.04 0.00 -0.41 0.00 0.00 54.97 56.58 3iug s GLU 433 Cb -0.07 -1.87 0.14 0.00 -1.78 0.00 0.00 34.13 30.55 3iug s GLU 433 CO 0.19 -1.62 1.04 -0.35 -0.49 0.00 0.00 175.26 174.04 3iug n PRO 434 N -2.52 1.43 -0.00 0.39 -0.04 -1.26 -4.87 135.00 128.13 3iug n PRO 434 Ca 0.13 -0.56 -0.22 0.00 -0.04 0.00 0.00 63.50 62.81 3iug n PRO 434 Cb 0.51 -1.22 -0.14 0.00 -0.04 0.00 0.00 33.50 32.61 3iug n PRO 434 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3iug h TYR 435 N 0.86 0.45 -0.38 0.54 0.05 -1.63 -3.41 116.97 113.45 3iug h TYR 435 Ca 0.00 -0.32 0.11 0.00 0.05 0.00 0.00 58.73 58.56 3iug h TYR 435 Cb 0.31 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 3iug h TYR 435 CO 0.12 1.73 0.28 -0.24 -1.05 0.00 0.00 178.16 179.01 3iug h VAL 436 N -0.08 0.74 -0.12 -2.88 3.04 -1.18 -0.93 116.25 114.84 3iug h VAL 436 Ca -0.40 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 3iug h VAL 436 Cb 1.94 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 32.02 3iug h VAL 436 CO 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.62 3iug n GLN 437 N -4.31 2.04 -3.51 4.17 6.02 -1.26 -4.52 117.38 116.00 3iug n GLN 437 Ca 0.06 -1.54 -0.33 0.00 -0.01 0.00 0.00 57.00 55.19 3iug n GLN 437 Cb 0.47 -1.46 -0.07 0.00 1.02 0.00 0.00 30.24 30.20 3iug n GLN 437 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3iug n ASP 438 N 0.82 4.20 -0.17 1.08 2.03 -0.36 -4.90 116.55 119.26 3iug n ASP 438 Ca 0.17 -3.30 -0.08 0.00 0.52 0.00 0.00 54.79 52.10 3iug n ASP 438 Cb 0.47 -0.90 0.01 0.00 -0.72 0.00 0.00 41.12 39.98 3iug n ASP 438 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3iug h ILE 439 N 3.70 1.20 0.00 5.18 2.04 -1.79 -3.10 117.51 124.74 3iug h ILE 439 Ca 0.18 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3iug h ILE 439 Cb 0.72 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3iug h ILE 439 CO 0.90 0.23 -0.14 0.45 0.00 0.00 0.00 178.15 179.59 3iug h HIS 440 N 0.64 0.00 -0.84 1.37 3.86 -1.90 -1.63 115.15 116.64 3iug h HIS 440 Ca 0.16 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.34 3iug h HIS 440 Cb 0.16 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 3iug h HIS 440 CO -0.00 0.14 0.39 0.77 0.86 0.00 0.00 177.93 180.09 3iug h SER 441 N 0.00 1.12 -0.19 2.45 0.02 -1.83 -0.17 113.55 114.95 3iug h SER 441 Ca -0.00 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3iug h SER 441 Cb 0.70 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3iug h SER 441 CO 0.02 0.95 -0.04 0.58 -1.14 0.00 0.00 176.83 177.20 3iug h VAL 442 N 1.21 1.28 -0.57 2.27 2.07 -1.37 -0.11 116.25 121.03 3iug h VAL 442 Ca 0.29 -1.00 0.08 0.00 0.82 0.00 0.00 66.70 66.89 3iug h VAL 442 Cb 0.14 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 3iug h VAL 442 CO -0.03 0.30 0.21 1.23 0.02 0.00 0.00 177.57 179.30 3iug h GLY 443 N 0.07 0.78 1.21 2.17 0.00 -1.41 -0.75 103.07 105.15 3iug h GLY 443 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 3iug h GLY 443 CO 0.02 0.00 -0.08 1.76 0.00 0.00 0.00 176.54 178.24 3iug h SER 444 N 0.40 0.93 -0.66 0.19 0.02 -0.94 -2.62 113.55 110.87 3iug h SER 444 Ca 0.28 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3iug h SER 444 Cb 0.32 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3iug h SER 444 CO -0.27 1.03 0.23 0.25 -1.14 0.00 0.00 176.83 176.92 3iug h LEU 445 N 0.85 0.94 -0.30 5.07 5.85 -0.66 0.14 115.31 127.19 3iug h LEU 445 Ca 0.14 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3iug h LEU 445 Cb 0.60 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3iug h LEU 445 CO 0.04 0.88 0.17 0.00 -0.34 0.00 0.00 178.44 179.19 3iug h LYS 447 N 0.38 1.15 -0.76 0.00 1.57 -1.27 -3.11 116.57 114.53 3iug h LYS 447 Ca 0.11 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3iug h LYS 447 Cb 0.05 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3iug h LYS 447 CO -0.02 0.99 0.39 1.25 -0.57 0.00 0.00 179.45 181.49 3iug h LEU 448 N 1.10 0.97 -0.64 2.94 5.85 -0.38 -0.33 115.31 124.82 3iug h LEU 448 Ca 0.24 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.97 3iug h LEU 448 Cb 0.32 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.00 3iug h LEU 448 CO -0.01 0.81 0.07 0.22 -0.34 0.00 0.00 178.44 179.19 3iug h TYR 449 N 1.06 0.08 -0.18 1.25 3.20 -1.18 -0.26 116.97 120.94 3iug h TYR 449 Ca 0.26 0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.99 3iug h TYR 449 Cb 0.08 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3iug h TYR 449 CO 0.00 -0.12 -0.65 0.74 -1.64 0.00 0.00 178.16 176.49 3iug h PHE 450 N 0.18 0.88 -0.58 -3.82 0.04 -1.39 -2.89 116.94 109.36 3iug h PHE 450 Ca 0.34 -0.35 0.02 0.00 2.80 0.00 0.00 57.97 60.78 3iug h PHE 450 Cb 0.55 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 3iug h PHE 450 CO -0.32 1.14 0.38 -0.09 -0.60 0.00 0.00 178.31 178.82 3iug h ARG 451 N 0.49 0.71 0.00 1.51 9.65 -0.19 -2.70 114.38 123.85 3iug h ARG 451 Ca -0.02 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3iug h ARG 451 Cb 1.24 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 3iug h ARG 451 CO 0.13 0.47 -0.23 0.39 2.80 0.00 0.00 179.97 183.53 3iug n GLU 452 N -4.46 0.02 -1.68 0.20 1.02 -0.19 -4.88 120.64 110.67 3iug n GLU 452 Ca 0.06 0.01 -0.45 0.00 -0.02 0.00 0.00 57.16 56.77 3iug n GLU 452 Cb 0.09 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 3iug n GLU 452 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3iug n LEU 453 N -1.55 3.36 0.23 -4.62 4.77 -1.02 -3.66 117.00 114.51 3iug n LEU 453 Ca 0.06 1.10 0.09 0.00 -0.03 0.00 0.00 56.01 57.23 3iug n LEU 453 Cb 0.35 -1.47 0.55 0.00 -2.33 0.00 0.00 43.42 40.52 3iug n LEU 453 CO 0.31 -0.22 0.85 1.55 -1.33 0.00 0.00 177.39 178.55 3iug h PRO 454 N 5.52 0.00 -4.66 3.23 0.13 -1.82 -3.36 132.00 131.05 3iug h PRO 454 Ca -0.45 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.05 3iug h PRO 454 Cb 1.25 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.01 3iug h PRO 454 CO 0.86 0.22 -0.81 1.21 -0.23 0.00 0.00 178.00 179.25 3iug s ASN 455 N -6.36 3.52 1.05 1.44 2.47 -1.26 -5.03 114.94 110.77 3iug s ASN 455 Ca -0.02 -0.94 -0.12 0.00 0.42 0.00 0.00 52.86 52.21 3iug s ASN 455 Cb 0.12 -1.30 0.22 0.00 -1.45 0.00 0.00 41.25 38.85 3iug s ASN 455 CO 0.64 -0.14 1.08 -2.16 -3.72 0.00 0.00 177.10 172.80 3iug s PRO 456 N 1.35 -0.04 0.20 0.43 0.04 -1.26 -4.77 135.00 130.95 3iug s PRO 456 Ca -0.02 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.02 3iug s PRO 456 Cb -0.16 -1.64 0.23 0.00 0.04 0.00 0.00 34.50 32.96 3iug s PRO 456 CO -0.08 -3.21 1.76 1.25 0.04 0.00 0.00 177.00 176.76 3iug h LEU 457 N -2.26 0.26 -0.04 -3.56 5.85 -1.80 0.28 115.31 114.03 3iug h LEU 457 Ca -0.54 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3iug h LEU 457 Cb 1.31 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3iug h LEU 457 CO 0.47 0.17 -0.03 0.18 -0.34 0.00 0.00 178.44 178.90 3iug n LEU 458 N -4.96 0.09 -0.19 2.25 4.32 -0.51 -4.89 117.00 113.10 3iug n LEU 458 Ca 0.07 0.24 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 3iug n LEU 458 Cb 0.23 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 3iug n LEU 458 CO 0.24 0.02 -0.06 0.35 -1.22 0.00 0.00 177.39 176.72 3iug n THR 459 N -1.24 -0.91 -0.29 -5.08 -2.24 0.98 -4.33 114.28 101.17 3iug n THR 459 Ca 0.14 0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 62.14 3iug n THR 459 Cb 0.25 -0.35 0.17 0.00 -2.10 0.00 0.00 70.33 68.31 3iug n THR 459 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3iug h TYR 460 N 0.11 1.10 -0.69 4.78 0.05 -1.80 -3.03 116.97 117.49 3iug h TYR 460 Ca 0.00 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.84 3iug h TYR 460 Cb 0.06 -0.37 -0.04 0.00 1.01 0.00 0.00 36.73 37.39 3iug h TYR 460 CO 0.00 0.71 0.45 1.96 -1.05 0.00 0.00 178.16 180.24 3iug h GLN 461 N 1.17 0.73 -0.26 4.88 7.50 -1.94 -2.89 115.11 124.30 3iug h GLN 461 Ca 0.31 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.42 3iug h GLN 461 Cb -0.09 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 27.27 3iug h GLN 461 CO -0.06 0.49 0.00 1.28 -1.50 0.00 0.00 178.83 179.03 3iug n LEU 462 N -4.47 3.02 -0.09 1.46 4.77 -1.17 -4.61 117.00 115.91 3iug n LEU 462 Ca 0.09 -1.42 -0.06 0.00 -0.03 0.00 0.00 56.01 54.60 3iug n LEU 462 Cb 0.19 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3iug n LEU 462 CO 0.34 0.64 0.80 0.22 -1.33 0.00 0.00 177.39 178.06 3iug h TYR 463 N 3.66 -0.18 -0.39 -1.77 3.20 -1.39 0.27 116.97 120.37 3iug h TYR 463 Ca 0.00 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 3iug h TYR 463 Cb 0.84 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 3iug h TYR 463 CO 0.17 -0.14 -0.13 0.93 -1.64 0.00 0.00 178.16 177.34 3iug h GLU 464 N -0.00 0.78 -0.92 1.82 4.39 -1.81 -2.15 114.58 116.69 3iug h GLU 464 Ca 0.16 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 3iug h GLU 464 Cb 0.24 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 3iug h GLU 464 CO -0.34 0.94 0.56 0.87 -1.16 0.00 0.00 179.01 179.88 3iug h LYS 465 N 0.59 1.24 -0.60 2.33 1.57 -1.74 -1.03 116.57 118.92 3iug h LYS 465 Ca 0.09 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3iug h LYS 465 Cb 0.67 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3iug h LYS 465 CO 0.05 0.86 0.35 0.74 -0.57 0.00 0.00 179.45 180.87 3iug h PHE 466 N 1.26 0.81 -0.26 -1.35 0.04 -0.72 -1.05 116.94 115.66 3iug h PHE 466 Ca 0.33 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.06 3iug h PHE 466 Cb -0.07 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.81 3iug h PHE 466 CO 0.00 0.57 0.05 0.77 -0.60 0.00 0.00 178.31 179.10 3iug h SER 467 N 0.81 0.40 -0.70 2.17 0.02 -0.96 -2.55 113.55 112.75 3iug h SER 467 Ca 0.21 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3iug h SER 467 Cb 0.01 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3iug h SER 467 CO -0.04 0.54 0.43 0.44 -1.14 0.00 0.00 176.83 177.06 3iug h ASP 468 N 0.25 0.84 -0.15 3.07 3.32 -1.15 -2.87 116.42 119.73 3iug h ASP 468 Ca 0.08 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3iug h ASP 468 Cb 0.30 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3iug h ASP 468 CO 0.00 0.64 0.08 0.00 -1.72 0.00 0.00 179.24 178.25 3iug h ALA 469 N 1.50 0.19 0.00 3.45 0.00 -0.79 -2.58 119.26 121.03 3iug h ALA 469 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3iug h ALA 469 Cb -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3iug h ALA 469 CO -0.05 -0.28 0.00 -0.24 0.00 0.00 0.00 179.25 178.68 3iug h VAL 470 N 0.14 0.00 -0.00 0.00 3.04 -1.41 -2.86 116.25 115.16 3iug h VAL 470 Ca 0.05 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 3iug h VAL 470 Cb 0.06 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 3iug h VAL 470 CO -0.01 0.00 -0.03 -1.20 -1.01 0.00 0.00 177.57 175.32 3iug n SER 471 N -2.67 0.21 -4.65 3.17 7.64 -0.97 -4.88 113.62 111.46 3iug n SER 471 Ca 0.02 -0.63 -0.37 0.00 1.01 0.00 0.00 58.87 58.90 3iug n SER 471 Cb 0.33 -0.12 0.07 0.00 -1.01 0.00 0.00 64.21 63.48 3iug n SER 471 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iug n ALA 472 N -1.02 0.34 0.10 -0.43 0.00 -1.08 -4.92 120.51 113.51 3iug n ALA 472 Ca 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.54 3iug n ALA 472 Cb 0.21 -2.18 0.19 0.00 0.00 0.00 0.00 19.45 17.68 3iug n ALA 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iug h ALA 473 N 0.26 1.03 -3.22 0.00 0.00 -1.92 -3.44 119.26 111.96 3iug h ALA 473 Ca -0.49 -0.46 -0.62 0.00 0.00 0.00 0.00 54.91 53.34 3iug h ALA 473 Cb 1.35 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.86 3iug h ALA 473 CO 0.50 0.65 -0.82 0.95 0.00 0.00 0.00 179.25 180.53 3iug s THR 474 N -3.97 2.16 0.40 0.00 -4.23 -1.26 -5.03 115.64 103.71 3iug s THR 474 Ca -0.04 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 3iug s THR 474 Cb 0.13 -2.00 0.27 0.00 1.34 0.00 0.00 72.50 72.24 3iug s THR 474 CO 0.78 -0.14 2.05 0.44 -0.54 0.00 0.00 174.62 177.20 3iug h ASP 475 N 3.34 0.50 -0.36 3.99 3.32 -1.98 -0.15 116.42 125.07 3iug h ASP 475 Ca -0.46 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3iug h ASP 475 Cb 1.20 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3iug h ASP 475 CO 0.47 0.36 0.24 -0.33 -1.72 0.00 0.00 179.24 178.26 3iug h GLU 476 N 0.58 0.48 -0.27 3.56 5.08 -1.98 0.02 114.58 122.05 3iug h GLU 476 Ca 0.17 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 3iug h GLU 476 Cb -0.04 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 3iug h GLU 476 CO -0.04 0.32 -0.48 1.49 -1.00 0.00 0.00 179.01 179.30 3iug h GLU 477 N 0.49 0.74 -0.90 2.33 4.81 -1.84 -1.78 114.58 118.43 3iug h GLU 477 Ca 0.13 -0.43 0.01 0.00 -0.13 0.00 0.00 59.36 58.94 3iug h GLU 477 Cb -0.05 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 3iug h GLU 477 CO -0.03 1.05 0.59 0.00 -0.73 0.00 0.00 179.01 179.90 3iug h ARG 478 N 0.58 1.17 0.04 1.92 3.08 -0.84 -0.13 114.38 120.21 3iug h ARG 478 Ca 0.03 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3iug h ARG 478 Cb 1.05 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3iug h ARG 478 CO 0.10 0.77 -0.02 1.25 -1.07 0.00 0.00 179.97 181.01 3iug h LEU 479 N 1.21 -0.05 -0.51 3.04 5.85 -0.62 -1.23 115.31 123.00 3iug h LEU 479 Ca 0.33 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.93 3iug h LEU 479 Cb -0.12 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3iug h LEU 479 CO -0.08 0.13 0.28 0.40 -0.34 0.00 0.00 178.44 178.83 3iug h ILE 480 N -0.22 0.99 -0.23 4.05 2.04 -1.17 -1.00 117.51 121.97 3iug h ILE 480 Ca -0.01 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 3iug h ILE 480 Cb 0.20 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3iug h ILE 480 CO 0.01 0.10 -0.12 0.11 0.00 0.00 0.00 178.15 178.25 3iug h LYS 481 N 0.54 0.49 -0.46 2.37 1.57 -0.91 -1.10 116.57 119.08 3iug h LYS 481 Ca 0.22 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iug h LYS 481 Cb 0.09 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3iug h LYS 481 CO -0.13 0.76 0.28 0.82 -0.57 0.00 0.00 179.45 180.61 3iug h ILE 482 N 0.20 1.14 -0.45 1.86 1.08 -1.20 -2.00 117.51 118.14 3iug h ILE 482 Ca 0.05 -0.31 0.09 0.00 -0.39 0.00 0.00 64.86 64.29 3iug h ILE 482 Cb 0.62 0.52 -0.07 0.00 -3.07 0.00 0.00 36.82 34.82 3iug h ILE 482 CO 0.04 0.14 0.01 -0.74 -0.69 0.00 0.00 178.15 176.91 3iug h HIS 483 N 0.61 -0.01 -0.31 1.37 -0.00 -1.02 -0.78 115.15 115.02 3iug h HIS 483 Ca 0.16 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.55 3iug h HIS 483 Cb -0.01 0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 3iug h HIS 483 CO -0.03 -0.09 0.10 -0.44 -0.00 0.00 0.00 177.93 177.47 3iug h ASP 484 N 0.12 0.39 -0.11 3.26 3.32 -0.78 -1.11 116.42 121.50 3iug h ASP 484 Ca 0.23 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 3iug h ASP 484 Cb 0.33 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3iug h ASP 484 CO -0.37 0.37 -0.31 0.58 -1.72 0.00 0.00 179.24 177.80 3iug h VAL 485 N 0.43 1.38 -0.85 -1.35 2.07 -0.86 -3.19 116.25 113.89 3iug h VAL 485 Ca 0.11 -1.62 0.10 0.00 0.82 0.00 0.00 66.70 66.11 3iug h VAL 485 Cb 0.12 2.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 3iug h VAL 485 CO -0.01 0.48 0.55 0.40 0.02 0.00 0.00 177.57 179.01 3iug h ILE 486 N -0.02 0.94 0.00 4.57 2.04 -0.75 -1.17 117.51 123.13 3iug h ILE 486 Ca -0.01 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3iug h ILE 486 Cb 0.92 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3iug h ILE 486 CO 0.07 0.14 0.00 1.56 0.00 0.00 0.00 178.15 179.92 3iug h GLN 487 N 0.79 0.00 -0.00 2.37 1.08 -1.20 -2.19 115.11 115.95 3iug h GLN 487 Ca 0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 3iug h GLN 487 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3iug h GLN 487 CO -0.16 0.00 -0.17 1.04 -0.95 0.00 0.00 178.83 178.59 3iug n GLN 488 N -2.31 0.49 -2.27 1.46 6.02 -0.44 -4.90 117.38 115.43 3iug n GLN 488 Ca 0.02 -0.19 -0.41 0.00 -0.01 0.00 0.00 57.00 56.42 3iug n GLN 488 Cb 0.24 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 3iug n GLN 488 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3iug s LEU 489 N -2.63 4.48 0.50 1.08 1.43 -0.83 -4.99 118.68 117.71 3iug s LEU 489 Ca 0.24 2.49 -0.23 0.00 -1.03 0.00 0.00 54.13 55.59 3iug s LEU 489 Cb 0.19 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 3iug s LEU 489 CO 0.52 -0.38 1.30 -2.65 0.23 0.00 0.00 176.35 175.38 3iug n PRO 490 N 1.16 1.78 -0.28 1.29 -0.02 -1.26 -4.58 135.00 133.08 3iug n PRO 490 Ca 0.00 0.64 0.08 0.00 -2.02 0.00 0.00 63.50 62.20 3iug n PRO 490 Cb 0.43 -2.48 0.20 0.00 -0.02 0.00 0.00 33.50 31.63 3iug n PRO 490 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3iug h PRO 491 N 1.68 0.10 -0.25 0.52 0.11 -1.97 0.13 132.00 132.32 3iug h PRO 491 Ca -0.50 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3iug h PRO 491 Cb 1.30 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3iug h PRO 491 CO 0.58 0.07 0.11 -1.00 -0.21 0.00 0.00 178.00 177.55 3iug h PRO 492 N 0.11 0.35 -0.12 1.05 0.13 -1.92 -0.41 132.00 131.19 3iug h PRO 492 Ca 0.46 -0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 65.37 3iug h PRO 492 Cb 0.86 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.93 3iug h PRO 492 CO -0.71 0.29 -0.65 0.45 -0.23 0.00 0.00 178.00 177.15 3iug h HIS 493 N 0.35 0.89 -0.17 1.56 3.86 -1.19 -2.47 115.15 117.98 3iug h HIS 493 Ca 0.09 -0.40 0.05 0.00 -1.16 0.00 0.00 60.37 58.95 3iug h HIS 493 Cb 0.06 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.35 3iug h HIS 493 CO 0.00 1.21 -0.14 -0.92 0.86 0.00 0.00 177.93 178.94 3iug h TYR 494 N 0.33 -0.34 -0.58 2.45 3.20 -0.42 0.49 116.97 122.09 3iug h TYR 494 Ca -0.05 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 3iug h TYR 494 Cb 1.29 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.72 3iug h TYR 494 CO 0.10 -0.20 -0.02 0.00 -1.64 0.00 0.00 178.16 176.40 3iug h ARG 495 N -0.15 1.03 -0.23 1.82 3.08 -1.13 -1.02 114.38 117.79 3iug h ARG 495 Ca 0.10 -0.34 -0.17 0.00 0.07 0.00 0.00 59.98 59.64 3iug h ARG 495 Cb 0.30 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3iug h ARG 495 CO -0.26 1.03 -0.56 1.15 -1.07 0.00 0.00 179.97 180.27 3iug h THR 496 N 0.92 1.30 -0.34 2.04 2.02 -1.29 -1.73 112.91 115.84 3iug h THR 496 Ca 0.16 -1.77 -0.05 0.00 0.77 0.00 0.00 66.41 65.51 3iug h THR 496 Cb 0.58 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 3iug h THR 496 CO 0.03 0.56 -0.00 0.25 0.37 0.00 0.00 175.52 176.74 3iug h LEU 497 N 0.54 0.58 -0.20 2.58 5.85 -0.75 -0.80 115.31 123.13 3iug h LEU 497 Ca 0.01 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.46 3iug h LEU 497 Cb 1.13 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 3iug h LEU 497 CO 0.11 0.75 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.81 3iug h GLU 498 N 0.40 -0.04 -0.18 1.25 4.81 -1.07 -0.34 114.58 119.41 3iug h GLU 498 Ca 0.10 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3iug h GLU 498 Cb 0.45 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3iug h GLU 498 CO 0.02 -0.03 0.11 0.35 -0.73 0.00 0.00 179.01 178.73 3iug h PHE 499 N -0.04 0.25 -0.26 0.92 3.57 -1.08 -0.30 116.94 120.00 3iug h PHE 499 Ca 0.10 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3iug h PHE 499 Cb 0.19 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3iug h PHE 499 CO -0.24 0.21 0.14 1.25 -2.23 0.00 0.00 178.31 177.45 3iug h LEU 500 N 0.21 0.31 -0.85 0.59 5.85 -0.98 -1.92 115.31 118.53 3iug h LEU 500 Ca 0.07 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3iug h LEU 500 Cb 0.04 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3iug h LEU 500 CO -0.01 0.30 0.35 0.24 -0.34 0.00 0.00 178.44 178.97 3iug h MET 501 N 0.31 1.19 -0.62 1.25 2.86 -0.92 -0.68 114.93 118.32 3iug h MET 501 Ca 0.09 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 3iug h MET 501 Cb 0.05 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 3iug h MET 501 CO -0.02 0.94 0.25 0.00 1.06 0.00 0.00 176.91 179.15 3iug h ARG 502 N 1.17 0.92 -0.15 1.72 3.08 -0.95 -0.44 114.38 119.73 3iug h ARG 502 Ca 0.27 -0.17 0.04 0.00 0.07 0.00 0.00 59.98 60.19 3iug h ARG 502 Cb 0.18 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 3iug h ARG 502 CO -0.03 0.78 -0.10 1.25 -1.07 0.00 0.00 179.97 180.81 3iug h HIS 503 N 0.86 -0.24 -0.35 3.04 2.76 -1.04 -1.48 115.15 118.70 3iug h HIS 503 Ca 0.21 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.32 3iug h HIS 503 Cb 0.20 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 3iug h HIS 503 CO 0.01 -0.15 -0.12 -0.07 -1.30 0.00 0.00 177.93 176.30 3iug h LEU 504 N -0.10 0.59 -0.53 0.26 3.38 -0.86 -1.45 115.31 116.59 3iug h LEU 504 Ca 0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3iug h LEU 504 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3iug h LEU 504 CO -0.21 0.74 0.23 -1.28 0.09 0.00 0.00 178.44 178.01 3iug h SER 505 N 0.56 0.72 -0.02 -0.43 0.87 -0.95 0.14 113.55 114.43 3iug h SER 505 Ca 0.10 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3iug h SER 505 Cb 0.53 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3iug h SER 505 CO 0.03 0.67 0.01 0.25 -0.53 0.00 0.00 176.83 177.27 3iug h LEU 506 N 0.72 0.02 -1.14 2.23 5.85 -1.02 -2.71 115.31 119.26 3iug h LEU 506 Ca 0.18 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3iug h LEU 506 Cb 0.16 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3iug h LEU 506 CO -0.02 0.11 0.59 -0.07 -0.34 0.00 0.00 178.44 178.72 3iug h LEU 507 N -0.07 0.89 -2.02 2.25 3.38 -1.09 -0.94 115.31 117.70 3iug h LEU 507 Ca 0.01 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3iug h LEU 507 Cb 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3iug h LEU 507 CO -0.00 0.55 0.09 0.00 0.09 0.00 0.00 178.44 179.17 3iug h ALA 508 N 1.52 2.09 -0.23 1.53 0.00 -0.66 -0.33 119.26 123.18 3iug h ALA 508 Ca 0.41 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.38 3iug h ALA 508 Cb 0.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3iug h ALA 508 CO -0.17 -0.16 0.17 -0.44 0.00 0.00 0.00 179.25 178.65 3iug h ASP 509 N 0.00 0.00 -0.43 0.00 3.32 -0.93 -2.38 116.42 116.01 3iug h ASP 509 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3iug h ASP 509 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3iug h ASP 509 CO -0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 3iug n TYR 510 N -4.37 1.14 -0.04 4.55 4.01 -0.14 -4.62 117.16 117.70 3iug n TYR 510 Ca 0.02 -0.43 0.23 0.00 -0.16 0.00 0.00 57.90 57.56 3iug n TYR 510 Cb 0.32 -0.24 0.71 0.00 -0.31 0.00 0.00 39.34 39.82 3iug n TYR 510 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3iug h SER 512 N 0.00 0.00 0.01 0.00 0.02 -1.87 0.19 113.55 111.91 3iug h SER 512 Ca 0.29 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.88 3iug h SER 512 Cb 1.23 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.72 3iug h SER 512 CO -0.00 0.16 -2.01 -0.38 -1.14 0.00 0.00 176.83 173.45 3iug n ILE 513 N -3.84 1.56 0.29 3.27 2.08 0.55 -4.55 119.36 118.72 3iug n ILE 513 Ca -0.02 -0.30 0.12 0.00 0.56 0.00 0.00 62.75 63.11 3iug n ILE 513 Cb 0.26 -1.87 0.23 0.00 -0.75 0.00 0.00 39.64 37.50 3iug n ILE 513 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 3iug h THR 514 N -0.77 0.00 -2.82 1.39 1.35 -1.15 -3.25 112.91 107.66 3iug h THR 514 Ca -0.53 -0.89 -0.29 0.00 -0.55 0.00 0.00 66.41 64.14 3iug h THR 514 Cb 1.58 1.89 -0.05 0.00 -1.73 0.00 0.00 68.15 69.84 3iug h THR 514 CO -0.26 0.00 -0.34 0.59 -0.25 0.00 0.00 175.52 175.27 3iug n ASN 515 N -2.95 -4.22 -4.02 5.36 3.02 0.68 -1.12 115.26 112.00 3iug n ASN 515 Ca 0.04 0.22 -0.32 0.00 -0.03 0.00 0.00 54.58 54.49 3iug n ASN 515 Cb 0.51 -3.67 -0.14 0.00 -0.61 0.00 0.00 39.78 35.87 3iug n ASN 515 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3iug s MET 516 N -4.41 1.75 0.92 3.52 -1.94 -1.26 -4.89 119.30 113.00 3iug s MET 516 Ca 0.00 -2.11 -0.13 0.00 -1.71 0.00 0.00 55.69 51.74 3iug s MET 516 Cb 0.00 -3.32 0.15 0.00 2.01 0.00 0.00 34.83 33.66 3iug s MET 516 CO 0.00 -1.02 1.16 -1.01 -0.01 0.00 0.00 175.02 174.14 3iug s HIS 517 N 0.56 2.35 0.21 -0.03 3.76 -1.26 -4.49 115.29 116.39 3iug s HIS 517 Ca 0.13 0.76 -0.09 0.00 -0.15 0.00 0.00 55.06 55.70 3iug s HIS 517 Cb -0.21 -3.48 0.31 0.00 1.11 0.00 0.00 32.58 30.31 3iug s HIS 517 CO -0.05 -2.41 1.70 0.00 -0.85 0.00 0.00 174.74 173.12 3iug h ALA 518 N -1.52 0.73 -0.37 -1.40 0.00 -1.93 -1.41 119.26 113.35 3iug h ALA 518 Ca -0.49 0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.64 3iug h ALA 518 Cb 1.32 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.24 3iug h ALA 518 CO 0.58 -0.32 -0.08 -0.22 0.00 0.00 0.00 179.25 179.21 3iug h LYS 519 N 0.25 0.01 -0.65 0.00 3.64 -1.94 -0.62 116.57 117.25 3iug h LYS 519 Ca 0.33 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 3iug h LYS 519 Cb 0.50 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 3iug h LYS 519 CO -0.43 0.01 0.30 -0.91 -2.27 0.00 0.00 179.45 176.14 3iug h ASN 520 N 0.01 0.87 -0.58 4.20 4.21 -1.75 -0.05 115.58 122.49 3iug h ASN 520 Ca 0.18 -0.15 0.01 0.00 1.21 0.00 0.00 56.30 57.55 3iug h ASN 520 Cb 0.27 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 37.21 3iug h ASN 520 CO -0.37 0.77 0.37 -0.07 -1.29 0.00 0.00 177.43 176.84 3iug h LEU 521 N 0.91 0.64 -0.52 1.61 3.38 -1.02 -1.90 115.31 118.40 3iug h LEU 521 Ca 0.22 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3iug h LEU 521 Cb 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3iug h LEU 521 CO -0.02 0.46 0.29 0.00 0.09 0.00 0.00 178.44 179.26 3iug h ALA 522 N 1.22 0.67 -0.80 1.53 0.00 -0.83 -1.41 119.26 119.64 3iug h ALA 522 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3iug h ALA 522 Cb -0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3iug h ALA 522 CO -0.06 0.18 0.42 0.82 0.00 0.00 0.00 179.25 180.61 3iug h ILE 523 N 0.70 1.24 -0.08 0.00 2.04 -0.72 0.26 117.51 120.96 3iug h ILE 523 Ca 0.18 -0.63 -0.22 0.00 1.00 0.00 0.00 64.86 65.20 3iug h ILE 523 Cb 0.03 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3iug h ILE 523 CO -0.03 0.28 -0.83 -0.37 0.00 0.00 0.00 178.15 177.19 3iug h VAL 524 N 1.11 1.33 0.07 1.67 -1.51 -1.27 -3.32 116.25 114.34 3iug h VAL 524 Ca 0.28 -2.15 -0.24 0.00 -1.23 0.00 0.00 66.70 63.35 3iug h VAL 524 Cb 0.06 2.16 -0.00 0.00 -2.13 0.00 0.00 31.29 31.38 3iug h VAL 524 CO -0.04 0.66 -1.09 -0.50 -1.23 0.00 0.00 177.57 175.37 3iug h TRP 525 N 0.38 0.45 -0.64 5.19 4.06 -1.00 -3.39 115.95 121.00 3iug h TRP 525 Ca -0.06 -0.29 0.09 0.00 2.06 0.00 0.00 58.89 60.68 3iug h TRP 525 Cb 1.45 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 29.51 3iug h TRP 525 CO 0.07 1.18 0.29 0.00 -3.56 0.00 0.00 178.44 176.42 3iug h ALA 526 N 0.72 0.86 -0.04 1.49 0.00 -1.04 0.74 119.26 122.00 3iug h ALA 526 Ca -0.10 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3iug h ALA 526 Cb 1.78 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 3iug h ALA 526 CO 0.18 -0.11 0.03 -1.35 0.00 0.00 0.00 179.25 177.99 3iug h PRO 527 N 0.51 0.00 0.00 0.00 0.11 -1.77 0.29 132.00 131.14 3iug h PRO 527 Ca 0.32 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.35 3iug h PRO 527 Cb 0.34 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 3iug h PRO 527 CO -0.27 0.00 -0.38 -0.91 -0.21 0.00 0.00 178.00 176.23 3iug h ASN 528 N 0.00 0.00 0.00 -2.05 2.35 -1.09 -3.38 115.58 111.41 3iug h ASN 528 Ca 0.02 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.56 3iug h ASN 528 Cb 0.07 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 3iug h ASN 528 CO -0.00 0.38 -1.90 0.18 -1.65 0.00 0.00 177.43 174.44 3iug n LEU 529 N -3.55 0.00 -3.56 1.61 4.77 -0.04 -4.01 117.00 112.21 3iug n LEU 529 Ca -0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 3iug n LEU 529 Cb 0.51 0.28 -0.15 0.00 -2.33 0.00 0.00 43.42 41.72 3iug n LEU 529 CO 0.37 0.28 -0.32 -0.22 -1.33 0.00 0.00 177.39 176.16 3iug s LEU 530 N -4.83 0.42 -0.00 2.23 2.96 -0.42 -1.42 118.68 117.62 3iug s LEU 530 Ca -0.07 -0.99 -0.10 0.00 -0.22 0.00 0.00 54.13 52.76 3iug s LEU 530 Cb 0.05 -0.26 0.01 0.00 0.50 0.00 0.00 46.19 46.49 3iug s LEU 530 CO 0.58 -0.40 0.19 0.00 -1.32 0.00 0.00 176.35 175.40 3iug s ARG 531 N 2.13 0.55 -0.07 1.98 1.70 -1.26 -4.58 118.95 119.40 3iug s ARG 531 Ca 0.06 -0.35 -0.19 0.00 -0.47 0.00 0.00 55.73 54.79 3iug s ARG 531 Cb -0.16 0.23 -0.30 0.00 -0.57 0.00 0.00 34.95 34.15 3iug s ARG 531 CO -0.26 -0.14 0.76 0.66 -1.08 0.00 0.00 175.30 175.25 3iug h SER 532 N 4.12 0.45 -5.00 -2.89 4.64 -1.94 -3.41 113.55 109.52 3iug h SER 532 Ca -0.30 -0.91 0.00 0.00 -0.47 0.00 0.00 61.79 60.11 3iug h SER 532 Cb 1.19 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3iug h SER 532 CO 0.41 1.50 0.00 0.55 -0.87 0.00 0.00 176.83 178.42 3iug n VAL 549 N -4.02 0.00 0.01 0.95 3.14 -1.26 -5.07 118.33 112.07 3iug n VAL 549 Ca -0.19 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.07 3iug n VAL 549 Cb 0.87 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.56 3iug n VAL 549 CO 0.00 0.00 0.00 0.08 -6.46 0.00 0.00 176.83 170.45 3iug h ARG 550 N 2.18 -0.06 -0.49 1.45 -0.00 -2.04 -3.28 114.38 112.14 3iug h ARG 550 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.96 3iug h ARG 550 Cb 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 29.96 3iug h ARG 550 CO 0.00 0.39 0.22 -0.84 -0.00 0.00 0.00 179.97 179.75 3iug h ILE 551 N -0.54 1.17 -0.51 0.08 -0.00 -2.00 -2.86 117.51 112.84 3iug h ILE 551 Ca -0.01 -0.50 0.01 0.00 -0.00 0.00 0.00 64.86 64.36 3iug h ILE 551 Cb 0.49 0.56 -0.03 0.00 -0.00 0.00 0.00 36.82 37.84 3iug h ILE 551 CO 0.01 0.20 0.34 1.56 -0.00 0.00 0.00 178.15 180.26 3iug h GLN 552 N 0.69 0.66 -0.00 0.16 4.20 -1.94 -0.74 115.11 118.14 3iug h GLN 552 Ca 0.17 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 3iug h GLN 552 Cb 0.09 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3iug h GLN 552 CO -0.02 0.44 -0.44 0.66 -0.67 0.00 0.00 178.83 178.80 3iug h SER 553 N 0.68 0.00 -0.33 1.46 4.64 -1.62 -2.42 113.55 115.96 3iug h SER 553 Ca 0.19 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.41 3iug h SER 553 Cb -0.07 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 3iug h SER 553 CO -0.04 0.44 -0.13 0.58 -0.87 0.00 0.00 176.83 176.80 3iug h VAL 554 N 0.00 1.26 -0.02 0.95 2.07 -1.04 0.10 116.25 119.57 3iug h VAL 554 Ca -0.00 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 3iug h VAL 554 Cb 0.77 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3iug h VAL 554 CO 0.06 0.41 0.01 0.58 0.02 0.00 0.00 177.57 178.65 3iug h VAL 555 N 0.70 1.06 -0.35 2.57 2.07 -0.74 -1.25 116.25 120.30 3iug h VAL 555 Ca 0.11 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 67.31 3iug h VAL 555 Cb 0.62 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3iug h VAL 555 CO 0.04 0.05 -0.39 0.58 0.02 0.00 0.00 177.57 177.87 3iug h VAL 556 N -0.03 1.28 -0.94 2.57 2.07 -1.10 -1.21 116.25 118.88 3iug h VAL 556 Ca 0.01 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 3iug h VAL 556 Cb 0.07 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 3iug h VAL 556 CO -0.00 0.52 0.56 -0.08 0.02 0.00 0.00 177.57 178.59 3iug h GLU 557 N 0.69 1.29 -0.25 1.57 4.81 -0.75 0.24 114.58 122.18 3iug h GLU 557 Ca 0.06 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3iug h GLU 557 Cb 0.97 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3iug h GLU 557 CO 0.09 0.91 0.02 0.35 -0.73 0.00 0.00 179.01 179.65 3iug h PHE 558 N 1.31 0.45 -0.32 0.92 3.57 -0.57 -0.88 116.94 121.42 3iug h PHE 558 Ca 0.34 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 3iug h PHE 558 Cb -0.04 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3iug h PHE 558 CO 0.01 0.56 0.17 0.82 -2.23 0.00 0.00 178.31 177.64 3iug h ILE 559 N 0.21 1.14 -0.36 1.41 2.04 -0.91 -1.70 117.51 119.34 3iug h ILE 559 Ca 0.07 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.64 3iug h ILE 559 Cb 0.36 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 3iug h ILE 559 CO 0.01 0.14 -0.03 0.25 0.00 0.00 0.00 178.15 178.52 3iug h LEU 560 N 0.39 -0.20 -1.27 1.44 6.46 -0.81 -1.46 115.31 119.86 3iug h LEU 560 Ca 0.11 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 3iug h LEU 560 Cb 0.07 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 3iug h LEU 560 CO -0.02 -0.06 -0.04 0.78 -0.62 0.00 0.00 178.44 178.48 3iug h ASN 561 N 0.07 0.00 -0.20 1.25 2.35 -0.83 -2.92 115.58 115.30 3iug h ASN 561 Ca 0.18 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 3iug h ASN 561 Cb 0.25 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 3iug h ASN 561 CO -0.32 0.04 -0.13 1.41 -1.65 0.00 0.00 177.43 176.78 3iug n HIS 562 N -3.14 0.64 -0.29 1.19 8.25 -0.67 -4.84 115.22 116.36 3iug n HIS 562 Ca 0.01 -1.31 -0.05 0.00 -0.26 0.00 0.00 57.72 56.11 3iug n HIS 562 Cb 0.35 -0.34 0.07 0.00 1.12 0.00 0.00 29.99 31.18 3iug n HIS 562 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3iug h VAL 563 N 0.99 1.24 -0.48 1.59 3.04 -1.08 -1.28 116.25 120.26 3iug h VAL 563 Ca 0.09 -0.64 -0.08 0.00 -1.01 0.00 0.00 66.70 65.05 3iug h VAL 563 Cb 1.36 0.20 -0.02 0.00 -2.01 0.00 0.00 31.29 30.83 3iug h VAL 563 CO 0.20 0.28 -0.03 0.44 -1.01 0.00 0.00 177.57 177.46 3iug h ASP 564 N 1.12 0.86 0.38 3.17 3.32 -1.88 -1.60 116.42 121.79 3iug h ASP 564 Ca 0.28 -0.32 -0.25 0.00 0.02 0.00 0.00 57.03 56.75 3iug h ASP 564 Cb 0.07 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.40 3iug h ASP 564 CO -0.04 0.98 -1.08 1.62 -1.72 0.00 0.00 179.24 178.99 3iug h VAL 565 N 0.73 1.41 0.00 -1.35 3.04 -1.91 -2.53 116.25 115.63 3iug h VAL 565 Ca 0.13 -2.62 -0.06 0.00 -1.01 0.00 0.00 66.70 63.14 3iug h VAL 565 Cb 0.55 2.62 -0.01 0.00 -2.01 0.00 0.00 31.29 32.44 3iug h VAL 565 CO 0.03 0.78 -0.29 -0.07 -1.01 0.00 0.00 177.57 177.01 3iug h LEU 566 N 0.19 0.00 -3.31 3.16 3.38 -1.18 -2.87 115.31 114.69 3iug h LEU 566 Ca -0.12 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 3iug h LEU 566 Cb 1.75 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.41 3iug h LEU 566 CO 0.19 0.29 -0.15 0.49 0.09 0.00 0.00 178.44 179.36 3iug n PHE 567 N -4.01 0.96 0.08 1.13 3.72 -0.61 -4.67 117.46 114.05 3iug n PHE 567 Ca -0.02 -1.61 -0.06 0.00 -0.05 0.00 0.00 57.45 55.71 3iug n PHE 567 Cb 0.36 -0.47 0.10 0.00 -0.94 0.00 0.00 39.48 38.53 3iug n PHE 567 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3iug h SER 568 N 1.01 0.29 0.00 4.37 4.64 -1.21 -3.48 113.55 119.16 3iug h SER 568 Ca 0.20 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3iug h SER 568 Cb 1.57 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 3iug h SER 568 CO 0.34 0.85 0.00 0.61 -0.87 0.00 0.00 176.83 177.77