#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iug n GLU 367 N 0.00 0.65 -3.64 1.61 1.02 -1.26 -5.03 120.64 113.98 3iug n GLU 367 Ca 0.00 -0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.05 3iug n GLU 367 Cb 0.00 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 29.77 3iug n GLU 367 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3iug s ARG 368 N -3.16 1.36 -0.01 3.49 1.70 -1.26 -4.97 118.95 116.09 3iug s ARG 368 Ca -0.06 -0.65 -0.03 0.00 -0.47 0.00 0.00 55.73 54.52 3iug s ARG 368 Cb 0.10 0.53 -0.02 0.00 -0.57 0.00 0.00 34.95 35.00 3iug s ARG 368 CO 0.85 -0.61 -0.06 0.28 -1.08 0.00 0.00 175.30 174.68 3iug n VAL 369 N -0.40 0.64 -2.32 4.99 0.31 -1.24 -4.68 118.33 115.63 3iug n VAL 369 Ca -0.09 0.09 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 3iug n VAL 369 Cb 0.62 -1.62 -0.02 0.00 -0.91 0.00 0.00 33.84 31.90 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 -2.11 2.72 0.00 3.52 0.08 -1.26 -2.06 117.98 118.86 3iug s PHE 370 Ca -0.06 0.84 0.00 0.00 0.12 0.00 0.00 56.93 57.83 3iug s PHE 370 Cb 0.02 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.87 3iug s PHE 370 CO 0.08 -2.19 0.00 0.41 -0.10 0.00 0.00 175.22 173.42 3iug n GLY 371 N 3.69 0.75 3.77 4.36 0.00 -1.24 -5.05 105.19 111.46 3iug n GLY 371 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 1.92 2.35 -0.14 0.00 2.03 -1.26 -4.53 116.55 116.92 3iug n ASP 373 Ca -0.05 1.18 -0.06 0.00 0.52 0.00 0.00 54.79 56.38 3iug n ASP 373 Cb 0.49 -1.41 0.03 0.00 -0.72 0.00 0.00 41.12 39.51 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 2.86 0.34 -0.80 -2.67 5.85 -1.95 0.17 115.31 119.11 3iug h LEU 374 Ca -0.44 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 3iug h LEU 374 Cb 1.30 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 3iug h LEU 374 CO 0.66 0.24 0.41 1.23 -0.34 0.00 0.00 178.44 180.64 3iug h GLY 375 N 0.46 1.22 0.91 3.75 0.00 -1.93 -1.52 103.07 105.97 3iug h GLY 375 Ca 0.19 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 3iug h GLY 375 CO -0.12 0.56 0.11 -2.09 0.00 0.00 0.00 176.54 175.00 3iug h GLU 376 N 1.12 0.51 -0.46 4.80 4.81 -1.74 -1.74 114.58 121.89 3iug h GLU 376 Ca 0.28 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3iug h GLU 376 Cb 0.09 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3iug h GLU 376 CO -0.04 0.54 0.27 1.25 -0.73 0.00 0.00 179.01 180.31 3iug h HIS 377 N 0.38 0.60 -0.03 0.92 2.76 -0.45 -1.61 115.15 117.72 3iug h HIS 377 Ca 0.11 -0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.14 3iug h HIS 377 Cb 0.24 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 3iug h HIS 377 CO 0.01 0.42 -0.59 -0.07 -1.30 0.00 0.00 177.93 176.40 3iug h LEU 378 N 0.61 0.10 -0.22 0.26 3.38 -1.23 -0.04 115.31 118.17 3iug h LEU 378 Ca 0.16 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3iug h LEU 378 Cb -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3iug h LEU 378 CO -0.03 0.67 0.13 0.25 0.09 0.00 0.00 178.44 179.55 3iug h LEU 379 N 0.07 0.21 -0.44 1.67 5.85 -1.08 -1.22 115.31 120.36 3iug h LEU 379 Ca -0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3iug h LEU 379 Cb 1.07 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3iug h LEU 379 CO 0.08 0.15 -0.00 0.78 -0.34 0.00 0.00 178.44 179.11 3iug h ASN 380 N 0.27 0.77 1.00 1.25 2.35 -0.86 -3.31 115.58 117.05 3iug h ASN 380 Ca 0.09 -0.31 -0.15 0.00 -0.55 0.00 0.00 56.30 55.38 3iug h ASN 380 Cb -0.00 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3iug h ASN 380 CO -0.04 0.89 -1.07 0.77 -1.65 0.00 0.00 177.43 176.33 3iug h SER 381 N 0.63 0.00 0.00 5.81 4.64 -1.01 -3.46 113.55 120.16 3iug h SER 381 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3iug h SER 381 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3iug h SER 381 CO 0.02 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 3iug n GLY 382 N 1.34 0.96 3.86 -0.77 0.00 -0.47 -5.04 105.19 105.07 3iug n GLY 382 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.82 3.40 0.21 1.61 0.08 -1.25 -4.99 117.98 113.21 3iug s PHE 383 Ca 0.00 1.10 -0.10 0.00 0.12 0.00 0.00 56.93 58.05 3iug s PHE 383 Cb 0.00 -2.44 0.19 0.00 -0.57 0.00 0.00 43.02 40.19 3iug s PHE 383 CO 0.00 0.13 1.86 0.93 -0.10 0.00 0.00 175.22 178.04 3iug h GLU 384 N 2.24 0.89 -4.44 0.44 4.39 -1.96 -3.45 114.58 112.70 3iug h GLU 384 Ca -0.48 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 58.99 3iug h GLU 384 Cb 1.17 -0.20 -0.15 0.00 -0.10 0.00 0.00 28.75 29.47 3iug h GLU 384 CO 0.66 0.59 -0.67 0.14 -1.16 0.00 0.00 179.01 178.58 3iug s VAL 385 N -6.12 0.31 0.39 3.13 -7.23 -1.26 -4.61 120.40 105.01 3iug s VAL 385 Ca -0.13 -1.88 -0.27 0.00 -1.81 0.00 0.00 61.98 57.88 3iug s VAL 385 Cb 0.15 -1.80 -0.10 0.00 0.56 0.00 0.00 36.38 35.20 3iug s VAL 385 CO 0.77 -0.74 1.43 -2.84 -0.31 0.00 0.00 175.10 173.41 3iug s PRO 386 N -3.95 4.01 0.26 4.82 0.02 -1.26 -4.83 135.00 134.07 3iug s PRO 386 Ca 0.16 2.44 -0.01 0.00 0.02 0.00 0.00 61.00 63.60 3iug s PRO 386 Cb 0.07 -2.88 0.51 0.00 0.02 0.00 0.00 34.50 32.23 3iug s PRO 386 CO -0.04 -0.56 1.77 0.37 -0.33 0.00 0.00 177.00 178.22 3iug h GLN 387 N 2.84 0.65 -0.59 5.54 5.75 -1.99 -1.18 115.11 126.13 3iug h GLN 387 Ca -0.50 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 57.94 3iug h GLN 387 Cb 1.25 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.62 3iug h GLN 387 CO 0.63 0.43 0.30 -0.24 -2.65 0.00 0.00 178.83 177.31 3iug h VAL 388 N 0.67 1.19 -0.24 2.39 3.04 -1.95 0.11 116.25 121.45 3iug h VAL 388 Ca 0.45 -0.50 -0.07 0.00 -1.01 0.00 0.00 66.70 65.58 3iug h VAL 388 Cb 0.60 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.28 3iug h VAL 388 CO -0.34 0.21 -0.10 0.25 -1.01 0.00 0.00 177.57 176.58 3iug h LEU 389 N 0.82 0.51 -0.32 3.16 5.85 -1.64 -0.74 115.31 122.96 3iug h LEU 389 Ca 0.21 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.55 3iug h LEU 389 Cb 0.05 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3iug h LEU 389 CO -0.03 0.80 0.17 1.56 -0.34 0.00 0.00 178.44 180.60 3iug h GLN 390 N 0.23 0.35 -0.20 1.25 4.20 -0.73 -1.12 115.11 119.09 3iug h GLN 390 Ca 0.06 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 3iug h GLN 390 Cb 0.60 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3iug h GLN 390 CO 0.03 0.23 -0.02 0.77 -0.67 0.00 0.00 178.83 179.18 3iug h SER 391 N 0.36 0.36 -0.35 1.46 0.02 -0.70 -1.13 113.55 113.57 3iug h SER 391 Ca 0.13 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3iug h SER 391 Cb 0.03 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3iug h SER 391 CO -0.08 0.60 0.16 0.00 -1.14 0.00 0.00 176.83 176.38 3iug h THR 393 N 0.43 1.26 -0.42 0.00 1.35 -1.19 -0.84 112.91 113.51 3iug h THR 393 Ca 0.12 -1.05 0.02 0.00 -0.55 0.00 0.00 66.41 64.95 3iug h THR 393 Cb 0.13 1.11 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 3iug h THR 393 CO -0.01 0.36 0.24 0.00 -0.25 0.00 0.00 175.52 175.85 3iug h ALA 394 N 0.89 0.53 0.13 6.62 0.00 -1.17 0.57 119.26 126.83 3iug h ALA 394 Ca 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3iug h ALA 394 Cb 0.50 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3iug h ALA 394 CO 0.02 -0.09 -0.07 0.35 0.00 0.00 0.00 179.25 179.46 3iug h PHE 395 N 0.48 -0.18 -0.78 0.00 3.57 -1.24 -2.95 116.94 115.85 3iug h PHE 395 Ca 0.17 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3iug h PHE 395 Cb 0.02 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 3iug h PHE 395 CO -0.08 -0.11 0.38 0.82 -2.23 0.00 0.00 178.31 177.09 3iug h ILE 396 N -0.19 1.24 0.00 1.41 2.04 -0.79 0.31 117.51 121.53 3iug h ILE 396 Ca -0.02 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 3iug h ILE 396 Cb 0.15 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3iug h ILE 396 CO 0.02 0.29 -0.17 -0.33 0.00 0.00 0.00 178.15 177.96 3iug h GLU 397 N 1.11 0.00 0.00 2.37 5.08 -0.86 0.19 114.58 122.48 3iug h GLU 397 Ca 0.27 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 58.21 3iug h GLU 397 Cb 0.10 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 3iug h GLU 397 CO -0.04 0.17 -2.42 -2.13 -1.00 0.00 0.00 179.01 173.59 3iug n ARG 398 N -3.70 0.61 0.00 2.33 0.63 -0.95 -4.74 116.66 110.84 3iug n ARG 398 Ca -0.02 0.25 0.02 0.00 -0.92 0.00 0.00 57.85 57.19 3iug n ARG 398 Cb 0.29 -1.53 0.01 0.00 0.45 0.00 0.00 32.46 31.69 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 -3.94 0.00 -1.05 -0.14 4.01 0.10 -4.71 117.16 111.44 3iug n TYR 399 Ca -0.50 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.34 3iug n TYR 399 Cb 0.91 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 40.12 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 0.38 4.59 3.32 2.72 0.00 0.67 -4.86 105.19 112.00 3iug n GLY 400 Ca 0.03 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 3iug n GLY 400 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3iug n ILE 401 N -1.11 3.96 -4.11 -0.61 2.08 -1.20 -4.77 119.36 113.61 3iug n ILE 401 Ca 0.18 -4.06 -0.12 0.00 0.56 0.00 0.00 62.75 59.31 3iug n ILE 401 Cb 0.73 -2.43 -0.11 0.00 -0.75 0.00 0.00 39.64 37.09 3iug n ILE 401 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 3iug s VAL 402 N 3.05 0.60 -0.11 1.39 -7.23 -1.26 -4.89 120.40 111.96 3iug s VAL 402 Ca 0.49 -1.46 -0.40 0.00 -1.81 0.00 0.00 61.98 58.80 3iug s VAL 402 Cb 0.05 -1.08 -0.18 0.00 0.56 0.00 0.00 36.38 35.73 3iug s VAL 402 CO 0.02 -0.60 1.41 -0.67 -0.31 0.00 0.00 175.10 174.95 3iug n ASP 403 N 0.80 1.34 0.00 4.85 2.03 -1.22 -2.37 116.55 121.99 3iug n ASP 403 Ca -0.18 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.26 3iug n ASP 403 Cb 0.57 -1.07 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 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 2.88 0.45 3.63 0.27 0.00 -0.17 -4.94 105.19 107.31 3iug n GLY 404 Ca 0.23 -0.46 -0.50 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.99 0.03 0.00 -0.61 0.13 -1.00 -1.04 119.36 113.88 3iug n ILE 405 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.64 3iug n ILE 405 Cb 0.00 -1.15 0.00 0.00 -0.84 0.00 0.00 39.64 37.65 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 3.12 0.00 -0.07 9.51 4.01 -1.26 -4.71 117.16 127.76 3iug n TYR 406 Ca 0.18 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.81 3iug n TYR 406 Cb 0.23 -0.45 -0.10 0.00 -0.31 0.00 0.00 39.34 38.71 3iug n TYR 406 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3iug h ARG 407 N 0.75 0.00 -7.29 -0.72 2.43 -1.49 -3.47 114.38 104.59 3iug h ARG 407 Ca 0.00 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.67 3iug h ARG 407 Cb 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 29.61 3iug h ARG 407 CO 0.00 0.78 0.39 -0.51 -1.51 0.00 0.00 179.97 179.12 3iug s LEU 408 N -8.25 3.31 0.10 3.80 1.43 -0.21 -5.07 118.68 113.79 3iug s LEU 408 Ca -0.16 1.58 0.09 0.00 -1.03 0.00 0.00 54.13 54.61 3iug s LEU 408 Cb -0.02 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 3iug s LEU 408 CO 0.54 -1.06 -0.21 -0.44 0.23 0.00 0.00 176.35 175.41 3iug s SER 409 N -3.62 3.65 0.95 2.29 0.01 -1.26 -4.76 113.70 110.96 3iug s SER 409 Ca 0.58 -0.59 -0.12 0.00 1.31 0.00 0.00 55.95 57.13 3iug s SER 409 Cb -0.13 -0.45 0.16 0.00 0.21 0.00 0.00 66.02 65.81 3iug s SER 409 CO 0.47 0.20 1.10 -0.83 0.41 0.00 0.00 173.24 174.59 3iug s GLY 410 N -1.90 1.58 0.08 3.44 0.00 -1.06 -4.72 107.32 104.75 3iug s GLY 410 Ca 0.16 -0.30 -0.31 0.00 0.00 0.00 0.00 44.72 44.27 3iug s GLY 410 CO 0.07 0.26 1.28 0.14 0.00 0.00 0.00 173.10 174.86 3iug s VAL 411 N -3.02 3.73 0.34 1.40 1.01 -1.26 -4.85 120.40 117.75 3iug s VAL 411 Ca 0.64 1.23 0.09 0.00 0.00 0.00 0.00 61.98 63.95 3iug s VAL 411 Cb -0.18 -3.79 0.32 0.00 0.00 0.00 0.00 36.38 32.74 3iug s VAL 411 CO 0.57 0.09 1.81 0.00 0.00 0.00 0.00 175.10 177.56 3iug h ALA 412 N 6.85 1.83 -0.31 5.51 0.00 -1.99 0.20 119.26 131.35 3iug h ALA 412 Ca -0.42 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 3iug h ALA 412 Cb 1.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3iug h ALA 412 CO 0.84 -0.16 -0.18 0.66 0.00 0.00 0.00 179.25 180.41 3iug h SER 413 N 0.68 0.54 -0.37 0.00 4.64 -1.99 -0.30 113.55 116.76 3iug h SER 413 Ca 0.54 -0.16 -0.15 0.00 -0.47 0.00 0.00 61.79 61.54 3iug h SER 413 Cb 0.95 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3iug h SER 413 CO -0.31 0.73 -0.36 0.78 -0.87 0.00 0.00 176.83 176.81 3iug h ASN 414 N 0.50 0.96 -0.44 4.97 2.35 -1.39 -1.93 115.58 120.59 3iug h ASN 414 Ca 0.08 -0.47 -0.06 0.00 -0.55 0.00 0.00 56.30 55.31 3iug h ASN 414 Cb 0.59 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3iug h ASN 414 CO 0.04 1.23 0.05 0.40 -1.65 0.00 0.00 177.43 177.50 3iug h ILE 415 N 0.70 1.25 -0.34 2.81 2.04 -0.91 -2.35 117.51 120.71 3iug h ILE 415 Ca 0.06 -0.94 -0.08 0.00 1.00 0.00 0.00 64.86 64.90 3iug h ILE 415 Cb 0.96 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3iug h ILE 415 CO 0.09 0.32 -0.14 1.56 0.00 0.00 0.00 178.15 179.99 3iug h GLN 416 N 0.60 0.61 -0.16 2.37 1.08 -1.00 -0.44 115.11 118.16 3iug h GLN 416 Ca 0.13 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3iug h GLN 416 Cb 0.41 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 3iug h GLN 416 CO 0.01 0.73 0.08 -0.09 -0.95 0.00 0.00 178.83 178.62 3iug h ARG 417 N 0.56 0.23 -0.74 1.46 2.43 -1.26 -0.82 114.38 116.24 3iug h ARG 417 Ca 0.10 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3iug h ARG 417 Cb 0.56 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 3iug h ARG 417 CO 0.04 0.26 0.37 -0.07 -1.51 0.00 0.00 179.97 179.05 3iug h LEU 418 N 0.15 0.95 -0.19 3.80 3.38 -1.20 -2.11 115.31 120.09 3iug h LEU 418 Ca 0.06 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3iug h LEU 418 Cb 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3iug h LEU 418 CO -0.01 0.81 0.05 -0.09 0.09 0.00 0.00 178.44 179.29 3iug h ARG 419 N 1.03 0.13 -0.84 1.13 2.43 -0.92 -0.93 114.38 116.40 3iug h ARG 419 Ca 0.25 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.43 3iug h ARG 419 Cb 0.10 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3iug h ARG 419 CO -0.03 0.09 0.55 1.25 -1.51 0.00 0.00 179.97 180.31 3iug h HIS 420 N 0.13 1.04 0.38 2.20 2.76 -0.96 0.18 115.15 120.89 3iug h HIS 420 Ca 0.09 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 3iug h HIS 420 Cb 0.07 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.68 3iug h HIS 420 CO -0.13 0.65 -0.18 0.93 -1.30 0.00 0.00 177.93 177.90 3iug h GLU 421 N 1.12 -0.49 -0.67 5.26 5.08 -1.12 -2.80 114.58 120.96 3iug h GLU 421 Ca 0.31 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3iug h GLU 421 Cb -0.11 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3iug h GLU 421 CO -0.07 -0.21 0.41 0.74 -1.00 0.00 0.00 179.01 178.88 3iug h PHE 422 N -0.75 0.88 0.00 4.33 0.04 -0.98 -1.71 116.94 118.75 3iug h PHE 422 Ca -0.05 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 3iug h PHE 422 Cb 0.51 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 3iug h PHE 422 CO 0.00 0.59 -0.01 0.22 -0.60 0.00 0.00 178.31 178.51 3iug h ASP 423 N 0.93 0.00 -0.13 2.17 3.58 -0.59 0.59 116.42 122.97 3iug h ASP 423 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 3iug h ASP 423 Cb -0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.01 3iug h ASP 423 CO -0.05 0.01 0.00 -1.54 -2.88 0.00 0.00 179.24 174.78 3iug n SER 424 N -3.26 1.74 -2.13 2.28 3.41 -0.78 -3.73 113.62 111.16 3iug n SER 424 Ca -0.03 -1.67 -0.20 0.00 -0.26 0.00 0.00 58.87 56.71 3iug n SER 424 Cb 0.10 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 3iug n SER 424 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iug n GLU 425 N 0.37 -1.56 -3.25 4.33 1.02 0.20 -5.00 120.64 116.73 3iug n GLU 425 Ca 0.17 1.03 -0.39 0.00 -0.02 0.00 0.00 57.16 57.95 3iug n GLU 425 Cb 0.36 -5.59 -0.06 0.00 -0.02 0.00 0.00 31.44 26.13 3iug n GLU 425 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3iug s HIS 426 N -2.95 3.69 -0.47 -0.32 2.46 -0.71 -5.01 115.29 111.98 3iug s HIS 426 Ca 0.00 1.16 -0.13 0.00 0.47 0.00 0.00 55.06 56.56 3iug s HIS 426 Cb 0.00 -2.56 0.09 0.00 -0.13 0.00 0.00 32.58 29.98 3iug s HIS 426 CO 0.00 0.40 0.37 0.08 -2.47 0.00 0.00 174.74 173.12 3iug s VAL 427 N -0.34 4.85 0.68 0.89 1.01 -1.26 -3.62 120.40 122.60 3iug s VAL 427 Ca 0.29 -1.31 -0.14 0.00 0.00 0.00 0.00 61.98 60.83 3iug s VAL 427 Cb -0.18 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.22 3iug s VAL 427 CO 0.16 -0.63 1.10 -2.16 0.00 0.00 0.00 175.10 173.57 3iug s PRO 428 N 1.55 2.77 -0.72 2.72 0.04 -1.26 -4.96 135.00 135.13 3iug s PRO 428 Ca 0.04 1.29 -0.19 0.00 0.04 0.00 0.00 61.00 62.18 3iug s PRO 428 Cb -0.25 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.46 3iug s PRO 428 CO 0.04 -1.26 0.85 0.34 0.04 0.00 0.00 177.00 177.01 3iug s ASP 429 N -2.85 6.39 0.48 6.66 -1.08 -1.26 -4.86 116.67 120.14 3iug s ASP 429 Ca 0.65 -1.74 0.25 0.00 -0.52 0.00 0.00 52.55 51.19 3iug s ASP 429 Cb -0.19 -2.33 1.18 0.00 -1.46 0.00 0.00 42.92 40.13 3iug s ASP 429 CO 0.45 -1.06 1.95 -0.07 0.52 0.00 0.00 175.17 176.96 3iug h LEU 430 N 9.90 0.00 -0.06 -1.34 3.38 -1.95 -2.92 115.31 122.33 3iug h LEU 430 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3iug h LEU 430 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3iug h LEU 430 CO 1.06 0.19 -0.04 0.35 0.09 0.00 0.00 178.44 180.09 3iug n THR 431 N -3.57 0.00 -4.16 0.22 -2.24 -1.26 -1.95 114.28 101.33 3iug n THR 431 Ca -0.01 -0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 61.50 3iug n THR 431 Cb 0.33 -0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.55 2.62 0.75 -0.78 3.01 -1.10 -4.75 119.74 116.94 3iug s LYS 432 Ca 0.28 -1.05 -0.14 0.00 -1.01 0.00 0.00 55.97 54.06 3iug s LYS 432 Cb 0.20 -2.46 0.05 0.00 -1.01 0.00 0.00 37.83 34.62 3iug s LYS 432 CO 0.47 0.45 1.18 -1.21 0.51 0.00 0.00 175.35 176.75 3iug s GLU 433 N -3.16 2.04 0.00 1.68 0.41 -1.26 -1.81 118.70 116.59 3iug s GLU 433 Ca 0.30 1.64 0.31 0.00 -0.41 0.00 0.00 54.97 56.80 3iug s GLU 433 Cb -0.09 -1.83 1.67 0.00 -1.78 0.00 0.00 34.13 32.09 3iug s GLU 433 CO 0.21 -1.88 2.10 -0.35 -0.49 0.00 0.00 175.26 174.85 3iug n PRO 434 N -2.99 1.02 -0.00 0.39 -0.04 -1.26 -4.80 135.00 127.32 3iug n PRO 434 Ca 0.12 -0.18 -0.16 0.00 -0.04 0.00 0.00 63.50 63.25 3iug n PRO 434 Cb 0.51 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.43 0.96 0.00 0.54 0.05 -1.67 -3.34 116.97 113.95 3iug h TYR 435 Ca 0.00 -0.43 -0.00 0.00 0.05 0.00 0.00 58.73 58.35 3iug h TYR 435 Cb 0.14 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 3iug h TYR 435 CO 0.00 1.25 -0.01 -0.24 -1.05 0.00 0.00 178.16 178.11 3iug h VAL 436 N 0.48 0.10 0.16 -2.88 3.04 -0.68 -2.25 116.25 114.23 3iug h VAL 436 Ca -0.05 -0.16 -0.26 0.00 -1.01 0.00 0.00 66.70 65.22 3iug h VAL 436 Cb 1.41 1.14 0.03 0.00 -2.01 0.00 0.00 31.29 31.85 3iug h VAL 436 CO 0.16 0.01 -1.12 1.56 -1.01 0.00 0.00 177.57 177.16 3iug h GLN 437 N 0.00 0.48 -4.34 4.17 7.50 -1.86 -3.40 115.11 117.65 3iug h GLN 437 Ca -0.00 -0.73 -0.75 0.00 0.50 0.00 0.00 58.65 57.67 3iug h GLN 437 Cb 0.14 0.26 -0.22 0.00 0.05 0.00 0.00 27.48 27.71 3iug h GLN 437 CO 0.00 1.33 0.87 0.34 -1.50 0.00 0.00 178.83 179.88 3iug s ASP 438 N -7.27 7.05 0.17 1.46 -1.08 -0.85 -4.80 116.67 111.36 3iug s ASP 438 Ca -0.11 -3.01 -0.11 0.00 -0.52 0.00 0.00 52.55 48.80 3iug s ASP 438 Cb 0.03 -2.32 0.07 0.00 -1.46 0.00 0.00 42.92 39.24 3iug s ASP 438 CO 0.90 -0.63 1.70 0.40 0.52 0.00 0.00 175.17 178.05 3iug h ILE 439 N 4.54 1.24 0.00 4.11 2.04 -1.79 -3.17 117.51 124.49 3iug h ILE 439 Ca 0.23 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3iug h ILE 439 Cb 0.91 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3iug h ILE 439 CO 1.10 0.32 0.00 0.45 0.00 0.00 0.00 178.15 180.02 3iug h HIS 440 N 0.86 0.00 -0.64 1.37 3.86 -1.89 -1.01 115.15 117.70 3iug h HIS 440 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3iug h HIS 440 Cb 0.30 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 3iug h HIS 440 CO 0.02 0.00 0.41 0.77 0.86 0.00 0.00 177.93 179.99 3iug h SER 441 N 0.00 0.75 -0.23 2.45 0.02 -1.83 0.51 113.55 115.22 3iug h SER 441 Ca 0.00 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3iug h SER 441 Cb 0.73 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3iug h SER 441 CO 0.00 0.56 -0.02 0.58 -1.14 0.00 0.00 176.83 176.81 3iug h VAL 442 N 0.88 1.27 -0.65 2.27 2.07 -1.29 -0.06 116.25 120.74 3iug h VAL 442 Ca 0.23 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 3iug h VAL 442 Cb -0.08 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3iug h VAL 442 CO -0.05 0.30 0.25 1.23 0.02 0.00 0.00 177.57 179.31 3iug h GLY 443 N 0.18 1.04 1.01 2.17 0.00 -1.37 -1.28 103.07 104.82 3iug h GLY 443 Ca 0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 3iug h GLY 443 CO 0.02 0.54 0.32 1.76 0.00 0.00 0.00 176.54 179.18 3iug h SER 444 N 0.91 0.89 -0.38 0.19 0.02 -0.84 -2.45 113.55 111.89 3iug h SER 444 Ca 0.21 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3iug h SER 444 Cb 0.22 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3iug h SER 444 CO -0.02 0.77 0.13 0.25 -1.14 0.00 0.00 176.83 176.83 3iug h LEU 445 N 0.94 0.54 -0.28 5.07 5.85 -0.74 -0.71 115.31 125.98 3iug h LEU 445 Ca 0.23 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3iug h LEU 445 Cb 0.12 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3iug h LEU 445 CO -0.03 0.59 -0.10 0.00 -0.34 0.00 0.00 178.44 178.56 3iug h LYS 447 N -0.04 1.16 -0.49 0.00 1.57 -1.23 -3.09 116.57 114.45 3iug h LYS 447 Ca 0.14 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3iug h LYS 447 Cb 0.25 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3iug h LYS 447 CO -0.31 0.90 -0.07 1.25 -0.57 0.00 0.00 179.45 180.65 3iug h LEU 448 N 1.15 0.85 -0.51 2.94 5.85 -0.36 -1.59 115.31 123.65 3iug h LEU 448 Ca 0.28 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.85 3iug h LEU 448 Cb 0.12 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 40.83 3iug h LEU 448 CO -0.03 0.96 -0.09 0.22 -0.34 0.00 0.00 178.44 179.15 3iug h TYR 449 N 0.79 -0.20 -0.36 1.25 3.20 -1.04 -0.81 116.97 119.80 3iug h TYR 449 Ca 0.14 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 3iug h TYR 449 Cb 0.57 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 3iug h TYR 449 CO 0.03 -0.19 -0.27 0.74 -1.64 0.00 0.00 178.16 176.83 3iug h PHE 450 N 0.03 0.85 -0.39 -3.82 0.04 -1.45 -2.96 116.94 109.24 3iug h PHE 450 Ca 0.25 -0.20 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 3iug h PHE 450 Cb 0.38 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3iug h PHE 450 CO -0.40 0.92 0.03 -0.09 -0.60 0.00 0.00 178.31 178.18 3iug h ARG 451 N 0.64 0.60 -0.00 1.51 9.65 -0.43 -2.70 114.38 123.65 3iug h ARG 451 Ca 0.08 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3iug h ARG 451 Cb 0.78 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 3iug h ARG 451 CO 0.06 0.60 -0.14 0.39 2.80 0.00 0.00 179.97 183.69 3iug n GLU 452 N -4.28 0.08 -1.73 0.20 1.02 -0.39 -4.90 120.64 110.64 3iug n GLU 452 Ca 0.02 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 3iug n GLU 452 Cb 0.24 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.44 4.14 0.20 -4.62 4.77 -1.02 -3.72 117.00 115.32 3iug n LEU 453 Ca 0.08 1.16 0.09 0.00 -0.03 0.00 0.00 56.01 57.31 3iug n LEU 453 Cb 0.33 -1.56 0.30 0.00 -2.33 0.00 0.00 43.42 40.16 3iug n LEU 453 CO 0.29 -0.00 0.73 1.55 -1.33 0.00 0.00 177.39 178.62 3iug h PRO 454 N 4.29 0.00 -4.74 3.23 0.13 -1.80 -3.37 132.00 129.75 3iug h PRO 454 Ca -0.47 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.02 3iug h PRO 454 Cb 1.24 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.00 3iug h PRO 454 CO 0.75 0.24 -0.82 1.21 -0.23 0.00 0.00 178.00 179.15 3iug s ASN 455 N -6.22 3.55 0.90 1.44 2.47 -1.26 -5.05 114.94 110.77 3iug s ASN 455 Ca 0.03 -0.94 -0.12 0.00 0.42 0.00 0.00 52.86 52.25 3iug s ASN 455 Cb 0.08 -1.35 0.07 0.00 -1.45 0.00 0.00 41.25 38.60 3iug s ASN 455 CO 0.66 -0.12 0.74 -0.81 -3.72 0.00 0.00 177.10 173.85 3iug n PRO 456 N 4.62 -0.23 -0.22 0.43 -0.04 -1.26 -4.76 135.00 133.53 3iug n PRO 456 Ca -0.16 -0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.29 3iug n PRO 456 Cb 0.46 -2.09 0.07 0.00 -0.04 0.00 0.00 33.50 31.91 3iug n PRO 456 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3iug h LEU 457 N -1.48 -0.63 0.00 1.53 5.85 -1.81 0.14 115.31 118.91 3iug h LEU 457 Ca -0.44 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3iug h LEU 457 Cb 1.29 0.41 0.00 0.00 0.37 0.00 0.00 40.66 42.73 3iug h LEU 457 CO 0.38 -0.22 0.00 0.18 -0.34 0.00 0.00 178.44 178.44 3iug n LEU 458 N -5.45 0.00 0.00 2.25 4.32 -0.57 -4.87 117.00 112.68 3iug n LEU 458 Ca 0.08 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.44 3iug n LEU 458 Cb 0.34 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 3iug n LEU 458 CO 0.03 -0.01 0.00 0.35 -1.22 0.00 0.00 177.39 176.54 3iug n THR 459 N -1.37 -0.37 -0.24 -5.08 -2.24 0.47 -4.35 114.28 101.11 3iug n THR 459 Ca 0.11 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.82 3iug n THR 459 Cb 0.27 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.57 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 0.00 1.16 -0.43 4.78 0.05 -1.83 -2.74 116.97 117.96 3iug h TYR 460 Ca 0.00 -0.14 0.05 0.00 0.05 0.00 0.00 58.73 58.69 3iug h TYR 460 Cb 0.00 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.39 3iug h TYR 460 CO 0.00 0.95 0.29 0.37 -1.05 0.00 0.00 178.16 178.72 3iug h GLN 461 N 1.04 0.38 -0.25 4.88 5.75 -1.97 -2.99 115.11 121.94 3iug h GLN 461 Ca 0.21 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 3iug h GLN 461 Cb 0.39 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.85 3iug h GLN 461 CO 0.01 0.25 0.00 1.28 -2.65 0.00 0.00 178.83 177.71 3iug n LEU 462 N -4.48 2.91 -0.12 -2.39 4.77 -1.18 -4.64 117.00 111.87 3iug n LEU 462 Ca 0.05 -1.44 -0.05 0.00 -0.03 0.00 0.00 56.01 54.55 3iug n LEU 462 Cb 0.21 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3iug n LEU 462 CO 0.35 0.62 0.79 0.22 -1.33 0.00 0.00 177.39 178.04 3iug h TYR 463 N 3.37 -0.20 -0.18 -1.77 3.20 -1.33 -0.14 116.97 119.92 3iug h TYR 463 Ca 0.00 0.04 -0.20 0.00 3.14 0.00 0.00 58.73 61.71 3iug h TYR 463 Cb 0.80 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.22 3iug h TYR 463 CO 0.16 -0.17 -0.68 0.93 -1.64 0.00 0.00 178.16 176.76 3iug h GLU 464 N 0.01 0.72 -0.81 1.82 4.39 -1.82 -2.78 114.58 116.11 3iug h GLU 464 Ca 0.19 -0.54 -0.00 0.00 0.34 0.00 0.00 59.36 59.36 3iug h GLU 464 Cb 0.30 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 3iug h GLU 464 CO -0.41 1.16 0.50 0.87 -1.16 0.00 0.00 179.01 179.97 3iug h LYS 465 N 0.52 1.09 -0.34 2.33 1.57 -1.77 -0.91 116.57 119.05 3iug h LYS 465 Ca -0.02 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3iug h LYS 465 Cb 1.29 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 3iug h LYS 465 CO 0.14 0.75 0.22 0.74 -0.57 0.00 0.00 179.45 180.73 3iug h PHE 466 N 1.11 0.41 -0.36 -1.35 0.04 -0.91 -0.70 116.94 115.18 3iug h PHE 466 Ca 0.29 0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.10 3iug h PHE 466 Cb -0.07 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 37.92 3iug h PHE 466 CO -0.01 0.26 0.19 0.77 -0.60 0.00 0.00 178.31 178.92 3iug h SER 467 N 0.45 0.29 -0.46 2.17 0.02 -1.19 -2.89 113.55 111.95 3iug h SER 467 Ca 0.13 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 3iug h SER 467 Cb -0.04 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3iug h SER 467 CO -0.04 0.22 0.01 0.44 -1.14 0.00 0.00 176.83 176.32 3iug h ASP 468 N 0.39 0.83 -0.22 3.07 3.32 -1.05 -2.68 116.42 120.08 3iug h ASP 468 Ca 0.15 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.02 3iug h ASP 468 Cb 0.04 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3iug h ASP 468 CO -0.09 0.89 0.06 0.00 -1.72 0.00 0.00 179.24 178.37 3iug h ALA 469 N 1.21 0.24 0.00 3.45 0.00 -0.95 -2.62 119.26 120.59 3iug h ALA 469 Ca 0.16 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3iug h ALA 469 Cb 0.46 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3iug h ALA 469 CO 0.02 -0.36 -0.00 -0.24 0.00 0.00 0.00 179.25 178.67 3iug h VAL 470 N 0.16 0.00 0.00 0.00 3.04 -1.42 -2.86 116.25 115.17 3iug h VAL 470 Ca 0.10 -0.72 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 3iug h VAL 470 Cb 0.08 1.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 3iug h VAL 470 CO -0.12 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.24 3iug n SER 471 N -3.09 0.00 -4.67 3.17 7.64 -0.99 -4.85 113.62 110.83 3iug n SER 471 Ca 0.02 0.14 -0.33 0.00 1.01 0.00 0.00 58.87 59.71 3iug n SER 471 Cb 0.40 -0.35 0.13 0.00 -1.01 0.00 0.00 64.21 63.38 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 -1.35 -0.32 0.12 -0.43 0.00 -1.08 -4.95 120.51 112.50 3iug n ALA 472 Ca 0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.13 3iug n ALA 472 Cb 0.19 -2.20 0.08 0.00 0.00 0.00 0.00 19.45 17.51 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 -1.06 0.73 -2.65 0.00 0.00 -1.92 -3.44 119.26 110.92 3iug h ALA 473 Ca -0.46 -0.65 -0.48 0.00 0.00 0.00 0.00 54.91 53.33 3iug h ALA 473 Cb 1.30 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.81 3iug h ALA 473 CO 0.44 0.89 -0.76 0.95 0.00 0.00 0.00 179.25 180.77 3iug s THR 474 N -3.23 1.70 0.28 0.00 -4.23 -1.26 -5.05 115.64 103.85 3iug s THR 474 Ca 0.00 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.50 3iug s THR 474 Cb 0.11 -1.86 0.21 0.00 1.34 0.00 0.00 72.50 72.30 3iug s THR 474 CO 0.77 -0.44 1.90 0.44 -0.54 0.00 0.00 174.62 176.75 3iug h ASP 475 N 3.04 0.90 -0.57 3.99 3.32 -1.99 -1.05 116.42 124.06 3iug h ASP 475 Ca -0.40 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 56.62 3iug h ASP 475 Cb 1.21 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.48 3iug h ASP 475 CO 0.55 0.74 0.30 -0.33 -1.72 0.00 0.00 179.24 178.78 3iug h GLU 476 N 1.00 0.55 -0.21 3.56 5.08 -1.99 0.67 114.58 123.24 3iug h GLU 476 Ca 0.25 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.39 3iug h GLU 476 Cb 0.07 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3iug h GLU 476 CO -0.04 0.36 -0.61 1.49 -1.00 0.00 0.00 179.01 179.22 3iug h GLU 477 N 0.56 0.78 -0.68 2.33 4.81 -1.84 -2.19 114.58 118.35 3iug h GLU 477 Ca 0.26 -0.56 0.08 0.00 -0.13 0.00 0.00 59.36 59.01 3iug h GLU 477 Cb 0.17 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.57 3iug h GLU 477 CO -0.18 1.18 0.35 0.00 -0.73 0.00 0.00 179.01 179.63 3iug h ARG 478 N 0.52 0.59 0.14 1.92 3.08 -0.97 0.10 114.38 119.76 3iug h ARG 478 Ca -0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3iug h ARG 478 Cb 1.23 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3iug h ARG 478 CO 0.13 0.39 -0.07 1.25 -1.07 0.00 0.00 179.97 180.60 3iug h LEU 479 N 0.61 -0.16 -0.59 3.04 5.85 -0.69 0.09 115.31 123.46 3iug h LEU 479 Ca 0.33 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.04 3iug h LEU 479 Cb 0.31 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3iug h LEU 479 CO -0.24 -0.07 0.36 0.40 -0.34 0.00 0.00 178.44 178.54 3iug h ILE 480 N -0.23 1.06 -0.40 4.05 2.04 -1.11 -0.68 117.51 122.23 3iug h ILE 480 Ca -0.02 -0.24 -0.15 0.00 1.00 0.00 0.00 64.86 65.45 3iug h ILE 480 Cb 0.18 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3iug h ILE 480 CO 0.03 0.13 -0.32 0.11 0.00 0.00 0.00 178.15 178.10 3iug h LYS 481 N 0.70 0.93 -0.31 2.37 1.57 -0.80 -1.66 116.57 119.37 3iug h LYS 481 Ca 0.24 -0.46 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 3iug h LYS 481 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3iug h LYS 481 CO -0.10 1.12 0.02 0.82 -0.57 0.00 0.00 179.45 180.74 3iug h ILE 482 N 0.75 1.25 -0.51 1.86 1.08 -0.93 -2.25 117.51 118.76 3iug h ILE 482 Ca 0.07 -0.88 0.10 0.00 -0.39 0.00 0.00 64.86 63.77 3iug h ILE 482 Cb 0.91 1.22 -0.09 0.00 -3.07 0.00 0.00 36.82 35.79 3iug h ILE 482 CO 0.08 0.29 -0.04 -0.74 -0.69 0.00 0.00 178.15 177.05 3iug h HIS 483 N 0.33 -0.11 -0.05 1.37 -0.00 -1.02 -0.16 115.15 115.52 3iug h HIS 483 Ca 0.09 0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.45 3iug h HIS 483 Cb 0.39 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.92 3iug h HIS 483 CO 0.03 -0.15 -0.19 -0.44 -0.00 0.00 0.00 177.93 177.18 3iug h ASP 484 N 0.08 0.07 0.01 3.26 3.32 -0.74 -1.28 116.42 121.14 3iug h ASP 484 Ca 0.26 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 3iug h ASP 484 Cb 0.39 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.93 3iug h ASP 484 CO -0.46 0.26 -0.40 0.58 -1.72 0.00 0.00 179.24 177.50 3iug h VAL 485 N 0.07 1.52 -0.95 -1.35 2.07 -0.91 -3.27 116.25 113.43 3iug h VAL 485 Ca 0.01 -2.07 0.09 0.00 0.82 0.00 0.00 66.70 65.55 3iug h VAL 485 Cb 0.37 2.80 -0.07 0.00 -1.52 0.00 0.00 31.29 32.86 3iug h VAL 485 CO 0.03 0.58 0.59 0.40 0.02 0.00 0.00 177.57 179.19 3iug h ILE 486 N -0.39 0.98 0.00 4.57 2.04 -0.65 -1.29 117.51 122.77 3iug h ILE 486 Ca -0.05 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3iug h ILE 486 Cb 1.17 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3iug h ILE 486 CO 0.08 0.18 0.00 1.56 0.00 0.00 0.00 178.15 179.97 3iug h GLN 487 N 1.00 0.00 0.00 2.37 1.08 -1.30 -1.30 115.11 116.97 3iug h GLN 487 Ca 0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.64 3iug h GLN 487 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3iug h GLN 487 CO -0.23 0.00 -0.60 1.04 -0.95 0.00 0.00 178.83 178.10 3iug n GLN 488 N -2.41 0.18 -1.94 1.46 6.02 -0.49 -4.94 117.38 115.25 3iug n GLN 488 Ca -0.00 0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.62 3iug n GLN 488 Cb 0.12 -1.60 -0.02 0.00 1.02 0.00 0.00 30.24 29.76 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 -3.72 4.37 0.64 1.08 1.43 -0.49 -4.97 118.68 117.02 3iug s LEU 489 Ca 0.08 2.81 -0.18 0.00 -1.03 0.00 0.00 54.13 55.81 3iug s LEU 489 Cb 0.15 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 3iug s LEU 489 CO 0.71 -0.74 1.28 -2.84 0.23 0.00 0.00 176.35 174.99 3iug s PRO 490 N -1.12 2.60 0.25 1.29 0.02 -1.26 -4.52 135.00 132.26 3iug s PRO 490 Ca 0.56 2.02 -0.05 0.00 0.02 0.00 0.00 61.00 63.56 3iug s PRO 490 Cb -0.44 -1.86 0.49 0.00 0.02 0.00 0.00 34.50 32.72 3iug s PRO 490 CO 0.51 -1.55 1.65 -1.35 -0.33 0.00 0.00 177.00 175.93 3iug h PRO 491 N 0.58 0.15 -0.76 5.54 0.11 -1.98 0.34 132.00 135.97 3iug h PRO 491 Ca -0.51 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3iug h PRO 491 Cb 1.33 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 3iug h PRO 491 CO 0.53 0.10 0.37 -1.00 -0.21 0.00 0.00 178.00 177.79 3iug h PRO 492 N 0.15 1.08 -0.38 1.05 0.13 -1.92 -0.68 132.00 131.43 3iug h PRO 492 Ca 0.44 -0.14 -0.08 0.00 -0.87 0.00 0.00 66.00 65.35 3iug h PRO 492 Cb 0.80 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 3iug h PRO 492 CO -0.64 0.82 -0.07 0.45 -0.23 0.00 0.00 178.00 178.33 3iug h HIS 493 N 1.07 0.81 -0.06 1.56 3.86 -1.59 -2.44 115.15 118.36 3iug h HIS 493 Ca 0.26 -0.17 0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3iug h HIS 493 Cb 0.09 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3iug h HIS 493 CO 0.01 0.85 -0.01 -0.92 0.86 0.00 0.00 177.93 178.72 3iug h TYR 494 N 0.53 -0.03 -0.59 2.45 3.20 -0.56 -0.09 116.97 121.88 3iug h TYR 494 Ca 0.10 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 3iug h TYR 494 Cb 0.58 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3iug h TYR 494 CO 0.05 -0.03 0.07 0.00 -1.64 0.00 0.00 178.16 176.61 3iug h ARG 495 N 0.00 0.99 -0.50 1.82 3.08 -1.19 -1.13 114.38 117.46 3iug h ARG 495 Ca 0.03 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.68 3iug h ARG 495 Cb 0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3iug h ARG 495 CO -0.06 0.95 -0.17 1.15 -1.07 0.00 0.00 179.97 180.76 3iug h THR 496 N 0.89 1.27 -0.47 2.04 2.02 -1.31 -1.55 112.91 115.80 3iug h THR 496 Ca 0.18 -1.34 -0.11 0.00 0.77 0.00 0.00 66.41 65.91 3iug h THR 496 Cb 0.46 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3iug h THR 496 CO 0.02 0.46 -0.13 0.25 0.37 0.00 0.00 175.52 176.50 3iug h LEU 497 N 0.87 0.92 -0.08 2.58 5.85 -0.86 -1.11 115.31 123.47 3iug h LEU 497 Ca 0.12 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3iug h LEU 497 Cb 0.75 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 3iug h LEU 497 CO 0.06 1.07 0.05 -0.08 -0.34 0.00 0.00 178.44 179.20 3iug h GLU 498 N 0.75 0.10 -0.43 1.25 4.81 -1.11 0.65 114.58 120.60 3iug h GLU 498 Ca 0.12 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3iug h GLU 498 Cb 0.68 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 3iug h GLU 498 CO 0.05 0.06 0.26 0.35 -0.73 0.00 0.00 179.01 179.01 3iug h PHE 499 N 0.10 0.56 -0.52 0.92 3.57 -1.15 0.01 116.94 120.42 3iug h PHE 499 Ca 0.03 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3iug h PHE 499 Cb -0.01 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3iug h PHE 499 CO -0.08 0.39 0.24 1.25 -2.23 0.00 0.00 178.31 177.88 3iug h LEU 500 N 0.57 0.70 -0.65 0.59 5.85 -0.99 -2.03 115.31 119.35 3iug h LEU 500 Ca 0.15 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 3iug h LEU 500 Cb -0.01 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3iug h LEU 500 CO -0.03 0.65 -0.22 0.24 -0.34 0.00 0.00 178.44 178.74 3iug h MET 501 N 0.70 0.82 -0.42 1.25 2.86 -0.61 -0.40 114.93 119.13 3iug h MET 501 Ca 0.18 -0.33 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 3iug h MET 501 Cb 0.15 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3iug h MET 501 CO -0.02 0.96 -0.09 0.00 1.06 0.00 0.00 176.91 178.82 3iug h ARG 502 N 0.71 0.73 -0.32 1.72 3.08 -0.93 0.02 114.38 119.39 3iug h ARG 502 Ca 0.10 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3iug h ARG 502 Cb 0.74 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3iug h ARG 502 CO 0.06 0.80 0.14 1.25 -1.07 0.00 0.00 179.97 181.15 3iug h HIS 503 N 0.67 0.47 -0.04 3.04 2.76 -1.00 -1.64 115.15 119.39 3iug h HIS 503 Ca 0.12 -0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.12 3iug h HIS 503 Cb 0.54 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 3iug h HIS 503 CO 0.03 0.43 -0.61 -0.07 -1.30 0.00 0.00 177.93 176.40 3iug h LEU 504 N 0.37 0.17 -0.34 0.26 3.38 -0.76 -1.05 115.31 117.35 3iug h LEU 504 Ca 0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3iug h LEU 504 Cb 0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3iug h LEU 504 CO -0.01 0.74 0.10 -1.28 0.09 0.00 0.00 178.44 178.08 3iug h SER 505 N 0.11 0.49 -0.35 -0.43 0.87 -0.93 -0.19 113.55 113.13 3iug h SER 505 Ca -0.01 -0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.36 3iug h SER 505 Cb 1.10 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 3iug h SER 505 CO 0.09 0.57 0.19 0.25 -0.53 0.00 0.00 176.83 177.40 3iug h LEU 506 N 0.39 0.28 -0.96 2.23 6.46 -1.05 -2.65 115.31 120.02 3iug h LEU 506 Ca 0.11 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.84 3iug h LEU 506 Cb 0.26 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 3iug h LEU 506 CO -0.00 0.21 0.27 -0.07 -0.62 0.00 0.00 178.44 178.22 3iug h LEU 507 N 0.38 0.94 -2.31 2.25 3.38 -0.89 -2.19 115.31 116.87 3iug h LEU 507 Ca 0.15 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3iug h LEU 507 Cb 0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3iug h LEU 507 CO -0.09 0.84 -0.01 0.00 0.09 0.00 0.00 178.44 179.28 3iug h ALA 508 N 1.29 1.64 0.00 1.53 0.00 -0.68 -0.19 119.26 122.84 3iug h ALA 508 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3iug h ALA 508 Cb 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3iug h ALA 508 CO -0.02 0.01 -0.01 -0.44 0.00 0.00 0.00 179.25 178.79 3iug h ASP 509 N 0.00 0.00 -0.34 0.00 3.32 -1.16 -2.23 116.42 116.00 3iug h ASP 509 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iug h ASP 509 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3iug h ASP 509 CO 0.00 0.01 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 3iug n TYR 510 N -4.29 1.05 0.21 4.55 4.01 -0.08 -4.67 117.16 117.93 3iug n TYR 510 Ca -0.03 -0.38 0.14 0.00 -0.16 0.00 0.00 57.90 57.47 3iug n TYR 510 Cb 0.10 -0.26 0.75 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.03 0.00 4.64 -1.86 0.91 113.55 117.27 3iug h SER 512 Ca 0.06 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.03 3iug h SER 512 Cb 0.29 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 3iug h SER 512 CO -0.00 0.05 -1.97 -0.38 -0.87 0.00 0.00 176.83 173.66 3iug n ILE 513 N -3.21 1.59 0.16 0.95 2.08 -0.03 -4.59 119.36 116.32 3iug n ILE 513 Ca -0.00 -0.37 0.09 0.00 0.56 0.00 0.00 62.75 63.03 3iug n ILE 513 Cb 0.27 -1.82 0.08 0.00 -0.75 0.00 0.00 39.64 37.43 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 -0.56 0.21 -2.43 1.39 1.35 -1.20 -3.22 112.91 108.46 3iug h THR 514 Ca -0.49 -1.32 -0.42 0.00 -0.55 0.00 0.00 66.41 63.63 3iug h THR 514 Cb 1.67 1.98 -0.06 0.00 -1.73 0.00 0.00 68.15 70.01 3iug h THR 514 CO -0.17 0.12 -0.50 0.59 -0.25 0.00 0.00 175.52 175.32 3iug n ASN 515 N -3.02 -5.82 -3.99 5.36 3.02 0.31 -1.00 115.26 110.13 3iug n ASN 515 Ca 0.02 0.13 -0.32 0.00 -0.03 0.00 0.00 54.58 54.38 3iug n ASN 515 Cb 0.60 -4.92 -0.13 0.00 -0.61 0.00 0.00 39.78 34.72 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 -4.69 2.19 0.90 3.52 -1.94 -1.25 -4.87 119.30 113.17 3iug s MET 516 Ca 0.00 -2.67 -0.12 0.00 -1.71 0.00 0.00 55.69 51.20 3iug s MET 516 Cb 0.00 -3.45 0.13 0.00 2.01 0.00 0.00 34.83 33.52 3iug s MET 516 CO 0.00 -1.14 1.11 -1.01 -0.01 0.00 0.00 175.02 173.97 3iug s HIS 517 N -0.34 2.45 0.30 -0.03 3.76 -1.26 -4.53 115.29 115.64 3iug s HIS 517 Ca 0.18 1.05 0.03 0.00 -0.15 0.00 0.00 55.06 56.16 3iug s HIS 517 Cb -0.23 -3.24 0.61 0.00 1.11 0.00 0.00 32.58 30.83 3iug s HIS 517 CO -0.02 -2.35 1.84 0.00 -0.85 0.00 0.00 174.74 173.36 3iug h ALA 518 N -1.50 1.58 -0.32 -1.40 0.00 -1.93 -0.43 119.26 115.26 3iug h ALA 518 Ca -0.50 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3iug h ALA 518 Cb 1.30 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3iug h ALA 518 CO 0.59 0.16 0.19 -0.22 0.00 0.00 0.00 179.25 179.97 3iug h LYS 519 N 0.93 0.43 -0.00 0.00 3.64 -1.94 -0.75 116.57 118.89 3iug h LYS 519 Ca 0.50 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.63 3iug h LYS 519 Cb 0.55 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3iug h LYS 519 CO -0.26 0.34 -0.89 -0.91 -2.27 0.00 0.00 179.45 175.45 3iug h ASN 520 N 0.40 0.37 -0.59 4.20 2.35 -1.78 -1.68 115.58 118.85 3iug h ASN 520 Ca 0.11 -0.30 0.07 0.00 -0.55 0.00 0.00 56.30 55.64 3iug h ASN 520 Cb 0.03 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.22 3iug h ASN 520 CO -0.02 1.09 0.27 -0.07 -1.65 0.00 0.00 177.43 177.05 3iug h LEU 521 N 0.16 0.34 -0.81 1.61 3.38 -0.92 -2.03 115.31 117.05 3iug h LEU 521 Ca -0.06 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3iug h LEU 521 Cb 1.52 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 3iug h LEU 521 CO 0.14 0.22 -0.33 0.00 0.09 0.00 0.00 178.44 178.56 3iug h ALA 522 N 1.36 0.98 -0.34 1.53 0.00 -0.93 -1.17 119.26 120.69 3iug h ALA 522 Ca 0.28 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3iug h ALA 522 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3iug h ALA 522 CO -0.23 0.60 -0.02 0.82 0.00 0.00 0.00 179.25 180.42 3iug h ILE 523 N 0.43 1.26 -0.11 0.00 2.04 -1.01 0.29 117.51 120.42 3iug h ILE 523 Ca 0.05 -1.01 -0.14 0.00 1.00 0.00 0.00 64.86 64.76 3iug h ILE 523 Cb 0.79 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3iug h ILE 523 CO 0.06 0.33 -0.55 -0.37 0.00 0.00 0.00 178.15 177.62 3iug h VAL 524 N 0.42 1.36 0.24 1.67 -1.51 -1.32 -3.33 116.25 113.78 3iug h VAL 524 Ca 0.09 -1.85 -0.33 0.00 -1.23 0.00 0.00 66.70 63.38 3iug h VAL 524 Cb 0.48 1.88 0.04 0.00 -2.13 0.00 0.00 31.29 31.56 3iug h VAL 524 CO 0.02 0.55 -1.47 -0.50 -1.23 0.00 0.00 177.57 174.94 3iug h TRP 525 N 0.25 0.94 -0.92 5.19 4.06 -1.02 -3.40 115.95 121.06 3iug h TRP 525 Ca 0.00 -0.69 0.13 0.00 2.06 0.00 0.00 58.89 60.40 3iug h TRP 525 Cb 1.05 -0.04 -0.09 0.00 -1.00 0.00 0.00 29.16 29.08 3iug h TRP 525 CO 0.03 1.54 0.53 0.00 -3.56 0.00 0.00 178.44 176.99 3iug h ALA 526 N 0.19 1.40 -0.18 1.49 0.00 -0.54 -0.24 119.26 121.38 3iug h ALA 526 Ca -0.25 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3iug h ALA 526 Cb 2.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 3iug h ALA 526 CO 0.27 0.06 0.14 -1.35 0.00 0.00 0.00 179.25 178.37 3iug h PRO 527 N 0.80 0.00 0.00 0.00 0.11 -1.78 -1.08 132.00 130.05 3iug h PRO 527 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3iug h PRO 527 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3iug h PRO 527 CO -0.31 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 176.57 3iug h ASN 528 N 0.00 0.00 0.00 -2.05 2.35 -1.31 -3.39 115.58 111.18 3iug h ASN 528 Ca 0.08 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.63 3iug h ASN 528 Cb 0.36 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.70 3iug h ASN 528 CO -0.00 0.00 -1.75 0.18 -1.65 0.00 0.00 177.43 174.20 3iug n LEU 529 N -2.78 0.30 -3.66 1.61 4.77 -0.47 -3.75 117.00 113.03 3iug n LEU 529 Ca 0.04 -0.01 -0.28 0.00 -0.03 0.00 0.00 56.01 55.74 3iug n LEU 529 Cb 0.48 0.19 -0.16 0.00 -2.33 0.00 0.00 43.42 41.61 3iug n LEU 529 CO 0.32 0.32 -0.34 -0.22 -1.33 0.00 0.00 177.39 176.14 3iug s LEU 530 N -4.91 1.04 0.07 2.23 2.96 -0.82 -1.51 118.68 117.75 3iug s LEU 530 Ca -0.07 -1.06 -0.11 0.00 -0.22 0.00 0.00 54.13 52.67 3iug s LEU 530 Cb 0.03 -0.51 0.01 0.00 0.50 0.00 0.00 46.19 46.23 3iug s LEU 530 CO 0.44 -0.37 0.25 0.00 -1.32 0.00 0.00 176.35 175.35 3iug s ARG 531 N 1.93 0.84 0.30 1.98 1.70 -1.26 -4.67 118.95 119.77 3iug s ARG 531 Ca 0.04 -0.74 0.21 0.00 -0.47 0.00 0.00 55.73 54.77 3iug s ARG 531 Cb -0.17 0.35 0.13 0.00 -0.57 0.00 0.00 34.95 34.70 3iug s ARG 531 CO -0.19 -0.27 1.32 1.03 -1.08 0.00 0.00 175.30 176.10 3iug h SER 532 N 2.95 0.00 0.00 -2.89 0.87 -1.97 -3.43 113.55 109.09 3iug h SER 532 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 3iug h SER 532 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3iug h SER 532 CO 0.51 0.14 0.00 0.00 -0.53 0.00 0.00 176.83 176.95 3iug n GLN 552 N -2.96 0.00 0.23 2.24 6.02 -1.26 -5.09 117.38 116.56 3iug n GLN 552 Ca 0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.10 3iug n GLN 552 Cb 0.60 0.00 0.52 0.00 1.02 0.00 0.00 30.24 32.38 3iug n GLN 552 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3iug h SER 553 N 0.00 0.00 -0.49 1.08 4.64 -1.92 -2.58 113.55 114.28 3iug h SER 553 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3iug h SER 553 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3iug h SER 553 CO 0.00 0.22 0.31 0.58 -0.87 0.00 0.00 176.83 177.07 3iug h VAL 554 N 0.00 1.09 0.28 0.95 2.07 -1.98 0.25 116.25 118.91 3iug h VAL 554 Ca -0.00 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3iug h VAL 554 Cb 0.64 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3iug h VAL 554 CO 0.03 0.11 -0.20 0.58 0.02 0.00 0.00 177.57 178.12 3iug h VAL 555 N 0.63 0.58 -0.68 2.57 2.07 -1.83 -1.27 116.25 118.32 3iug h VAL 555 Ca 0.19 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 3iug h VAL 555 Cb -0.03 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3iug h VAL 555 CO -0.06 0.00 0.35 0.58 0.02 0.00 0.00 177.57 178.45 3iug h VAL 556 N -0.47 1.22 -0.64 2.57 2.07 -1.33 -1.69 116.25 117.98 3iug h VAL 556 Ca -0.02 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3iug h VAL 556 Cb 0.40 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3iug h VAL 556 CO 0.01 0.25 0.36 -0.08 0.02 0.00 0.00 177.57 178.13 3iug h GLU 557 N 0.93 0.88 -0.24 1.57 4.81 -0.85 -0.07 114.58 121.61 3iug h GLU 557 Ca 0.24 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3iug h GLU 557 Cb 0.08 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3iug h GLU 557 CO -0.03 0.65 0.14 0.35 -0.73 0.00 0.00 179.01 179.39 3iug h PHE 558 N 0.87 0.32 -0.43 0.92 3.57 -0.83 0.08 116.94 121.44 3iug h PHE 558 Ca 0.23 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.74 3iug h PHE 558 Cb 0.02 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3iug h PHE 558 CO -0.01 0.25 0.26 0.82 -2.23 0.00 0.00 178.31 177.40 3iug h ILE 559 N 0.29 1.06 -0.43 1.41 2.04 -1.07 -2.01 117.51 118.80 3iug h ILE 559 Ca 0.09 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 3iug h ILE 559 Cb 0.03 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3iug h ILE 559 CO -0.02 0.10 0.27 0.25 0.00 0.00 0.00 178.15 178.75 3iug h LEU 560 N 0.53 0.51 -1.78 1.44 5.85 -0.73 -1.05 115.31 120.09 3iug h LEU 560 Ca 0.17 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3iug h LEU 560 Cb -0.01 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 3iug h LEU 560 CO -0.07 0.40 -0.00 0.78 -0.34 0.00 0.00 178.44 179.21 3iug h ASN 561 N 0.58 0.00 0.00 1.25 2.35 -0.72 -3.01 115.58 116.03 3iug h ASN 561 Ca 0.16 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 3iug h ASN 561 Cb -0.02 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.29 3iug h ASN 561 CO -0.03 0.00 -0.50 1.41 -1.65 0.00 0.00 177.43 176.66 3iug n HIS 562 N -3.09 0.00 -0.29 1.19 8.25 -0.78 -4.84 115.22 115.66 3iug n HIS 562 Ca -0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 57.72 56.23 3iug n HIS 562 Cb 0.26 -0.21 0.13 0.00 1.12 0.00 0.00 29.99 31.28 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 1.92 1.02 -0.46 1.59 3.04 -1.07 -1.47 116.25 120.82 3iug h VAL 563 Ca -0.03 -0.31 -0.03 0.00 -1.01 0.00 0.00 66.70 65.31 3iug h VAL 563 Cb 1.14 0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 30.45 3iug h VAL 563 CO 0.01 0.16 0.15 0.44 -1.01 0.00 0.00 177.57 177.33 3iug h ASP 564 N 0.90 0.66 0.53 3.17 3.32 -1.88 -1.57 116.42 121.56 3iug h ASP 564 Ca 0.35 -0.20 -0.21 0.00 0.02 0.00 0.00 57.03 56.99 3iug h ASP 564 Cb 0.17 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3iug h ASP 564 CO -0.17 0.68 -0.94 -0.37 -1.72 0.00 0.00 179.24 176.72 3iug h VAL 565 N 0.61 1.48 0.00 -1.35 -1.51 -1.92 -2.62 116.25 110.94 3iug h VAL 565 Ca 0.15 -2.64 -0.08 0.00 -1.23 0.00 0.00 66.70 62.90 3iug h VAL 565 Cb 0.25 2.51 -0.01 0.00 -2.13 0.00 0.00 31.29 31.91 3iug h VAL 565 CO -0.01 0.77 -0.39 -0.07 -1.23 0.00 0.00 177.57 176.64 3iug h LEU 566 N 0.14 0.00 -3.29 4.19 3.38 -1.12 -3.17 115.31 115.43 3iug h LEU 566 Ca -0.06 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 3iug h LEU 566 Cb 1.58 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.22 3iug h LEU 566 CO 0.15 0.39 -0.27 0.49 0.09 0.00 0.00 178.44 179.29 3iug n PHE 567 N -3.43 0.94 1.59 1.13 3.72 -0.60 -5.01 117.46 115.79 3iug n PHE 567 Ca 0.00 -1.67 0.14 0.00 -0.05 0.00 0.00 57.45 55.87 3iug n PHE 567 Cb 0.56 -0.43 0.60 0.00 -0.94 0.00 0.00 39.48 39.28 3iug n PHE 567 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58