#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bzi h HIS 373 N 0.23 0.43 -0.51 0.00 3.86 -1.99 -0.56 115.15 116.60 3bzi h HIS 373 Ca 0.22 -0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.30 3bzi h HIS 373 Cb 0.29 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3bzi h HIS 373 CO -0.22 0.45 -0.05 -0.07 0.86 0.00 0.00 177.93 178.90 3bzi h LEU 374 N 0.28 0.88 -0.36 2.43 3.38 -1.84 -0.13 115.31 119.95 3bzi h LEU 374 Ca 0.09 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 3bzi h LEU 374 Cb 0.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3bzi h LEU 374 CO -0.01 0.97 -0.24 0.28 0.09 0.00 0.00 178.44 179.53 3bzi h SER 375 N 0.82 0.84 -0.23 -0.43 0.02 -0.86 0.20 113.55 113.90 3bzi h SER 375 Ca 0.14 -0.43 0.02 0.00 -0.84 0.00 0.00 61.79 60.68 3bzi h SER 375 Cb 0.56 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3bzi h SER 375 CO 0.03 1.09 0.10 0.44 -1.14 0.00 0.00 176.83 177.36 3bzi h ASP 376 N 0.60 0.15 -0.81 3.07 5.19 -1.03 -2.35 116.42 121.23 3bzi h ASP 376 Ca 0.07 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3bzi h ASP 376 Cb 0.80 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.26 3bzi h ASP 376 CO 0.07 0.12 0.52 -0.03 -3.12 0.00 0.00 179.24 176.79 3bzi h MET 377 N 0.23 1.09 -0.51 3.56 4.05 -0.56 -1.20 114.93 121.59 3bzi h MET 377 Ca 0.10 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 3bzi h MET 377 Cb 0.04 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.58 3bzi h MET 377 CO -0.08 0.74 0.27 1.25 0.23 0.00 0.00 176.91 179.33 3bzi h LEU 378 N 1.11 0.64 -0.73 3.39 5.85 -0.30 -1.73 115.31 123.54 3bzi h LEU 378 Ca 0.30 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3bzi h LEU 378 Cb -0.09 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3bzi h LEU 378 CO -0.06 0.55 0.34 0.06 -0.34 0.00 0.00 178.44 178.99 3bzi h GLN 379 N 0.67 1.06 -0.85 1.25 -0.00 -0.95 0.12 115.11 116.40 3bzi h GLN 379 Ca 0.18 -0.16 -0.00 0.00 -0.00 0.00 0.00 58.65 58.66 3bzi h GLN 379 Cb 0.06 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.48 27.31 3bzi h GLN 379 CO -0.03 0.83 0.52 1.96 -0.00 0.00 0.00 178.83 182.11 3bzi h GLN 380 N 1.03 1.15 0.17 0.06 4.20 -0.93 0.12 115.11 120.90 3bzi h GLN 380 Ca 0.25 -0.10 -0.31 0.00 0.06 0.00 0.00 58.65 58.54 3bzi h GLN 380 Cb 0.13 -0.24 0.03 0.00 0.30 0.00 0.00 27.48 27.70 3bzi h GLN 380 CO -0.03 0.80 -1.34 -0.07 -0.67 0.00 0.00 178.83 177.53 3bzi h LEU 381 N 1.17 0.88 -0.47 1.46 3.38 -1.06 -0.20 115.31 120.47 3bzi h LEU 381 Ca 0.31 -0.86 0.05 0.00 0.09 0.00 0.00 57.88 57.46 3bzi h LEU 381 Cb -0.05 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 3bzi h LEU 381 CO -0.06 1.66 0.21 -0.74 0.09 0.00 0.00 178.44 179.60 3bzi h HIS 382 N 0.23 0.39 0.07 1.13 2.76 -0.67 -0.50 115.15 118.56 3bzi h HIS 382 Ca -0.22 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 57.97 3bzi h HIS 382 Cb 2.01 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.87 3bzi h HIS 382 CO 0.12 0.18 -0.03 1.03 -1.30 0.00 0.00 177.93 177.93 3bzi h SER 383 N 0.42 -0.08 -0.56 3.26 0.87 -0.65 -0.32 113.55 116.49 3bzi h SER 383 Ca 0.21 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.64 3bzi h SER 383 Cb 0.15 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3bzi h SER 383 CO -0.17 -0.03 -0.04 1.62 -0.53 0.00 0.00 176.83 177.69 3bzi h VAL 384 N -0.13 1.26 -0.27 2.23 3.04 -0.78 -2.73 116.25 118.87 3bzi h VAL 384 Ca -0.01 -1.18 -0.07 0.00 -1.01 0.00 0.00 66.70 64.43 3bzi h VAL 384 Cb 0.11 0.86 -0.02 0.00 -2.01 0.00 0.00 31.29 30.23 3bzi h VAL 384 CO 0.02 0.42 -0.11 0.78 -1.01 0.00 0.00 177.57 177.67 3bzi h ASN 385 N 0.94 0.44 0.23 3.17 2.35 -0.96 -2.60 115.58 119.14 3bzi h ASN 385 Ca 0.16 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3bzi h ASN 385 Cb 0.59 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 3bzi h ASN 385 CO 0.04 0.59 -0.12 0.00 -1.65 0.00 0.00 177.43 176.28 3bzi h ALA 386 N 1.46 1.49 0.00 -0.83 0.00 -0.74 -1.18 119.26 119.47 3bzi h ALA 386 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3bzi h ALA 386 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3bzi h ALA 386 CO 0.03 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.29 3bzi n SER 387 N -3.94 0.00 -3.91 0.00 3.41 -0.98 -4.94 113.62 103.26 3bzi n SER 387 Ca -0.02 -0.50 -0.36 0.00 -0.26 0.00 0.00 58.87 57.72 3bzi n SER 387 Cb 0.21 -0.16 0.01 0.00 -0.26 0.00 0.00 64.21 64.01 3bzi n SER 387 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3bzi n LYS 388 N -1.16 -0.82 0.29 4.33 5.02 -0.45 -4.82 118.16 120.55 3bzi n LYS 388 Ca 0.18 0.39 0.16 0.00 -2.02 0.00 0.00 58.31 57.02 3bzi n LYS 388 Cb 0.18 -2.66 0.87 0.00 -0.02 0.00 0.00 35.03 33.40 3bzi n LYS 388 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3bzi h PRO 389 N -1.65 0.00 -0.00 1.97 0.13 -1.82 -1.87 132.00 128.77 3bzi h PRO 389 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 3bzi h PRO 389 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3bzi h PRO 389 CO 0.45 0.05 -0.34 -1.13 -0.23 0.00 0.00 178.00 176.81 3bzi n SER 390 N -3.56 0.84 -4.32 1.44 3.41 -1.23 -1.19 113.62 109.01 3bzi n SER 390 Ca -0.02 -0.67 -0.45 0.00 -0.26 0.00 0.00 58.87 57.47 3bzi n SER 390 Cb 0.17 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3bzi n SER 390 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bzi n GLU 391 N -0.94 3.62 -4.00 4.33 1.02 -0.70 -4.85 120.64 119.12 3bzi n GLU 391 Ca 0.10 -4.39 -0.09 0.00 -0.02 0.00 0.00 57.16 52.76 3bzi n GLU 391 Cb 0.34 -2.61 -0.08 0.00 -0.02 0.00 0.00 31.44 29.07 3bzi n GLU 391 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3bzi s ARG 392 N -1.10 0.88 0.08 3.49 1.81 -1.26 -5.02 118.95 117.83 3bzi s ARG 392 Ca 0.32 -1.18 -0.12 0.00 -1.72 0.00 0.00 55.73 53.04 3bzi s ARG 392 Cb -0.07 0.30 -0.22 0.00 -0.45 0.00 0.00 34.95 34.50 3bzi s ARG 392 CO -0.05 -0.26 1.18 0.78 -0.68 0.00 0.00 175.30 176.27 3bzi h GLY 393 N 2.82 0.67 -7.05 -3.53 0.00 -1.98 -3.42 103.07 90.59 3bzi h GLY 393 Ca -0.34 -1.27 -0.59 0.00 0.00 0.00 0.00 47.33 45.14 3bzi h GLY 393 CO 0.57 1.12 -0.80 -2.27 0.00 0.00 0.00 176.54 175.16 3bzi s LEU 394 N -7.91 1.99 -0.28 3.11 2.96 -1.26 -5.10 118.68 112.20 3bzi s LEU 394 Ca -0.09 -0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 52.93 3bzi s LEU 394 Cb 0.07 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 3bzi s LEU 394 CO 0.91 -0.16 0.16 -0.69 -1.32 0.00 0.00 176.35 175.25 3bzi s VAL 395 N 1.50 4.98 -0.57 1.68 1.01 -1.26 -4.77 120.40 122.96 3bzi s VAL 395 Ca -0.00 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.05 3bzi s VAL 395 Cb -0.16 -3.39 0.27 0.00 0.00 0.00 0.00 36.38 33.10 3bzi s VAL 395 CO -0.08 0.25 0.73 0.54 0.00 0.00 0.00 175.10 176.54 3bzi n ARG 396 N 5.02 2.21 -0.30 2.72 1.74 0.22 -4.94 116.66 123.33 3bzi n ARG 396 Ca -0.15 -4.37 0.13 0.00 -0.77 0.00 0.00 57.85 52.70 3bzi n ARG 396 Cb 0.51 -2.03 0.30 0.00 -1.02 0.00 0.00 32.46 30.22 3bzi n ARG 396 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3bzi h GLN 397 N 3.94 0.23 -0.00 5.56 4.15 -1.72 -1.61 115.11 125.65 3bzi h GLN 397 Ca 0.16 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3bzi h GLN 397 Cb 0.69 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.33 3bzi h GLN 397 CO 0.75 0.15 0.02 1.05 -1.93 0.00 0.00 178.83 178.87 3bzi h GLU 398 N 0.23 0.00 0.00 1.69 9.09 -1.92 -0.75 114.58 122.93 3bzi h GLU 398 Ca 0.56 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.93 3bzi h GLU 398 Cb 1.12 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.22 3bzi h GLU 398 CO -0.64 0.00 -0.19 0.93 0.05 0.00 0.00 179.01 179.16 3bzi h GLU 399 N 0.00 0.00 -0.00 1.06 4.39 -1.69 -3.09 114.58 115.24 3bzi h GLU 399 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3bzi h GLU 399 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3bzi h GLU 399 CO -0.00 0.19 -0.25 0.00 -1.16 0.00 0.00 179.01 177.79 3bzi n ALA 400 N -2.18 3.05 -2.05 3.43 0.00 -0.29 -4.91 120.51 117.56 3bzi n ALA 400 Ca 0.01 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 3bzi n ALA 400 Cb 0.46 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 3bzi n ALA 400 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3bzi s GLU 401 N -2.65 4.36 -0.25 0.00 2.02 -1.17 -1.17 118.70 119.84 3bzi s GLU 401 Ca 0.22 2.07 -0.04 0.00 0.02 0.00 0.00 54.97 57.24 3bzi s GLU 401 Cb 0.19 -3.21 0.09 0.00 0.10 0.00 0.00 34.13 31.31 3bzi s GLU 401 CO 0.55 -0.32 0.16 0.34 0.02 0.00 0.00 175.26 176.01 3bzi s ASP 402 N 0.57 2.62 0.26 -0.19 -1.08 0.92 -4.86 116.67 114.90 3bzi s ASP 402 Ca 0.59 -0.87 0.23 0.00 -0.52 0.00 0.00 52.55 51.97 3bzi s ASP 402 Cb -0.37 -0.08 0.99 0.00 -1.46 0.00 0.00 42.92 42.00 3bzi s ASP 402 CO 0.36 -0.39 1.69 -2.65 0.52 0.00 0.00 175.17 174.69 3bzi n PRO 403 N 5.28 0.18 0.04 4.34 -0.02 -1.26 -1.57 135.00 141.99 3bzi n PRO 403 Ca -0.06 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 61.95 3bzi n PRO 403 Cb 0.46 -1.87 0.33 0.00 -0.02 0.00 0.00 33.50 32.40 3bzi n PRO 403 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bzi n ALA 404 N -1.76 1.55 1.00 3.55 0.00 -1.26 -3.12 120.51 120.48 3bzi n ALA 404 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3bzi n ALA 404 Cb 0.19 -1.25 0.08 0.00 0.00 0.00 0.00 19.45 18.47 3bzi n ALA 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bzi n ILE 406 N 1.03 0.65 -1.27 0.00 5.41 -1.18 -4.92 119.36 119.08 3bzi n ILE 406 Ca 0.13 -0.16 -0.32 0.00 1.00 0.00 0.00 62.75 63.39 3bzi n ILE 406 Cb 0.57 -1.47 0.10 0.00 -0.71 0.00 0.00 39.64 38.13 3bzi n ILE 406 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3bzi s PRO 407 N -0.01 2.03 0.12 0.38 0.04 -1.26 -4.03 135.00 132.27 3bzi s PRO 407 Ca 0.72 1.46 -0.02 0.00 0.04 0.00 0.00 61.00 63.20 3bzi s PRO 407 Cb -0.67 -1.85 -0.16 0.00 0.04 0.00 0.00 34.50 31.87 3bzi s PRO 407 CO 0.46 -1.86 1.26 0.82 0.04 0.00 0.00 177.00 177.72 3bzi h ILE 408 N -0.86 1.49 -3.78 0.56 2.04 -1.92 -1.92 117.51 113.13 3bzi h ILE 408 Ca -0.45 -2.82 -0.18 0.00 1.00 0.00 0.00 64.86 62.40 3bzi h ILE 408 Cb 1.26 2.68 -0.23 0.00 -0.74 0.00 0.00 36.82 39.79 3bzi h ILE 408 CO 0.49 0.83 -0.65 -0.36 0.00 0.00 0.00 178.15 178.45 3bzi s PHE 409 N -2.96 0.12 0.22 1.37 0.40 -1.26 -4.69 117.98 111.18 3bzi s PHE 409 Ca -0.04 -0.24 -0.12 0.00 -0.60 0.00 0.00 56.93 55.92 3bzi s PHE 409 Cb 0.09 -0.10 -0.00 0.00 0.51 0.00 0.00 43.02 43.52 3bzi s PHE 409 CO 0.86 -0.15 0.44 1.67 0.70 0.00 0.00 175.22 178.73 3bzi s TRP 410 N -0.95 0.30 -0.24 0.36 -2.14 -1.26 -4.99 118.94 110.03 3bzi s TRP 410 Ca -0.10 -0.66 -0.21 0.00 2.66 0.00 0.00 56.10 57.78 3bzi s TRP 410 Cb -0.06 0.15 -0.02 0.00 -3.10 0.00 0.00 33.47 30.44 3bzi s TRP 410 CO -0.00 -0.91 0.67 0.08 -2.66 0.00 0.00 176.95 174.13 3bzi s VAL 411 N -3.99 4.96 -0.08 -0.66 1.01 -1.26 -1.19 120.40 119.19 3bzi s VAL 411 Ca 0.19 1.24 -0.07 0.00 0.00 0.00 0.00 61.98 63.34 3bzi s VAL 411 Cb 0.00 -3.98 -0.28 0.00 0.00 0.00 0.00 36.38 32.13 3bzi s VAL 411 CO 0.05 0.02 0.53 -1.28 0.00 0.00 0.00 175.10 174.43 3bzi h SER 412 N 7.76 0.48 -4.95 3.32 0.87 -0.43 -3.45 113.55 117.16 3bzi h SER 412 Ca -0.27 -0.88 -0.14 0.00 -1.23 0.00 0.00 61.79 59.27 3bzi h SER 412 Cb 1.12 -0.16 -0.21 0.00 -0.44 0.00 0.00 62.40 62.72 3bzi h SER 412 CO 0.79 1.77 -0.45 -0.54 -0.53 0.00 0.00 176.83 177.87 3bzi s LYS 413 N -2.57 0.51 0.05 2.24 1.02 -1.19 -0.66 119.74 119.13 3bzi s LYS 413 Ca -0.18 -0.35 -0.09 0.00 0.02 0.00 0.00 55.97 55.37 3bzi s LYS 413 Cb 0.06 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 3bzi s LYS 413 CO 0.81 -0.12 0.19 1.67 -0.92 0.00 0.00 175.35 176.97 3bzi s TRP 414 N -1.33 0.08 -0.15 3.18 1.48 -1.26 -1.15 118.94 119.79 3bzi s TRP 414 Ca -0.14 -0.34 -0.04 0.00 -1.06 0.00 0.00 56.10 54.52 3bzi s TRP 414 Cb -0.07 -0.04 0.05 0.00 -1.16 0.00 0.00 33.47 32.25 3bzi s TRP 414 CO 0.02 -0.44 0.08 0.08 -4.06 0.00 0.00 176.95 172.63 3bzi s VAL 415 N -2.77 -0.04 -0.61 -0.66 1.01 0.75 -4.97 120.40 113.10 3bzi s VAL 415 Ca -0.03 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 3bzi s VAL 415 Cb -0.00 -0.52 0.08 0.00 0.00 0.00 0.00 36.38 35.93 3bzi s VAL 415 CO -0.05 -0.18 0.85 -0.62 0.00 0.00 0.00 175.10 175.11 3bzi s ASP 416 N 2.12 6.20 -0.39 3.32 2.15 -1.26 -0.77 116.67 128.04 3bzi s ASP 416 Ca 0.02 -1.05 0.05 0.00 0.43 0.00 0.00 52.55 52.01 3bzi s ASP 416 Cb -0.15 -2.37 0.44 0.00 -0.30 0.00 0.00 42.92 40.53 3bzi s ASP 416 CO -0.08 -1.27 1.22 0.00 -0.17 0.00 0.00 175.17 174.87 3bzi n TYR 417 N 7.14 3.05 0.89 -5.34 -0.00 -0.03 -4.81 117.16 118.06 3bzi n TYR 417 Ca -0.05 -2.62 0.11 0.00 -0.00 0.00 0.00 57.90 55.34 3bzi n TYR 417 Cb 0.45 -0.31 0.52 0.00 -0.00 0.00 0.00 39.34 39.99 3bzi n TYR 417 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 3bzi n SER 418 N -0.62 0.00 0.10 2.98 3.41 -1.05 -0.40 113.62 118.04 3bzi n SER 418 Ca 0.43 0.31 0.08 0.00 -0.26 0.00 0.00 58.87 59.44 3bzi n SER 418 Cb 0.81 -0.43 0.55 0.00 -0.26 0.00 0.00 64.21 64.88 3bzi n SER 418 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3bzi h ASP 419 N 0.00 0.21 0.00 4.04 5.19 -1.88 -3.40 116.42 120.59 3bzi h ASP 419 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3bzi h ASP 419 Cb 0.33 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.79 3bzi h ASP 419 CO 0.00 0.15 -0.80 1.17 -3.12 0.00 0.00 179.24 176.63 3bzi n LYS 420 N -4.49 0.00 0.00 3.56 4.81 -0.72 -5.02 118.16 116.30 3bzi n LYS 420 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3bzi n LYS 420 Cb 0.17 -0.43 0.00 0.00 0.02 0.00 0.00 35.03 34.79 3bzi n LYS 420 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3bzi n TYR 421 N -2.97 0.00 -0.86 5.64 4.02 0.47 -4.94 117.16 118.52 3bzi n TYR 421 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3bzi n TYR 421 Cb 0.40 0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 3bzi n TYR 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bzi n GLY 422 N 2.91 0.28 3.20 2.72 0.00 -0.81 -0.25 105.19 113.24 3bzi n GLY 422 Ca 0.00 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 3bzi n GLY 422 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bzi s LEU 423 N 0.00 2.95 0.20 0.99 2.96 -0.35 -0.85 118.68 124.59 3bzi s LEU 423 Ca 0.00 -0.78 -0.08 0.00 -0.22 0.00 0.00 54.13 53.06 3bzi s LEU 423 Cb 0.00 -1.64 -0.06 0.00 0.50 0.00 0.00 46.19 44.99 3bzi s LEU 423 CO 0.00 -0.09 0.49 -0.83 -1.32 0.00 0.00 176.35 174.60 3bzi s GLY 424 N 1.33 2.24 0.17 7.98 0.00 0.05 -1.07 107.32 118.01 3bzi s GLY 424 Ca 0.02 -0.40 -0.13 0.00 0.00 0.00 0.00 44.72 44.21 3bzi s GLY 424 CO -0.06 -0.28 0.39 -2.52 0.00 0.00 0.00 173.10 170.62 3bzi s TYR 425 N -1.78 0.12 -0.02 1.90 -0.85 0.16 -0.18 117.35 116.70 3bzi s TYR 425 Ca 0.45 -0.48 0.06 0.00 -0.52 0.00 0.00 57.07 56.59 3bzi s TYR 425 Cb -0.11 0.15 -0.01 0.00 0.38 0.00 0.00 41.96 42.37 3bzi s TYR 425 CO 0.23 -0.79 -0.21 -1.14 -1.52 0.00 0.00 175.55 172.13 3bzi s GLN 426 N -3.91 1.72 0.33 -3.49 0.74 -0.30 -0.83 119.66 113.93 3bzi s GLN 426 Ca 0.12 -0.74 0.02 0.00 0.05 0.00 0.00 55.36 54.81 3bzi s GLN 426 Cb 0.02 -1.64 -0.03 0.00 1.10 0.00 0.00 33.01 32.46 3bzi s GLN 426 CO -0.03 0.43 0.51 -0.51 -0.55 0.00 0.00 175.29 175.14 3bzi s LEU 427 N -0.43 4.03 0.43 3.68 1.43 -0.58 0.29 118.68 127.54 3bzi s LEU 427 Ca 0.07 0.28 0.29 0.00 -1.03 0.00 0.00 54.13 53.74 3bzi s LEU 427 Cb -0.08 -3.13 1.57 0.00 0.03 0.00 0.00 46.19 44.57 3bzi s LEU 427 CO -0.00 -0.31 1.89 0.00 0.23 0.00 0.00 176.35 178.16 3bzi n ASP 429 N -2.52 0.40 0.00 0.00 5.75 -1.26 -4.93 116.55 113.99 3bzi n ASP 429 Ca -0.02 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.72 3bzi n ASP 429 Cb 0.05 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 3bzi n ASP 429 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3bzi n ASN 430 N -0.73 -1.11 -4.77 -1.12 3.02 0.12 -4.75 115.26 105.93 3bzi n ASN 430 Ca 0.21 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.44 3bzi n ASN 430 Cb 0.19 -0.29 0.06 0.00 -0.61 0.00 0.00 39.78 39.14 3bzi n ASN 430 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3bzi s SER 431 N -2.62 4.90 0.21 6.41 1.04 -1.26 -4.50 113.70 117.88 3bzi s SER 431 Ca 0.00 1.98 0.07 0.00 0.48 0.00 0.00 55.95 58.47 3bzi s SER 431 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 3bzi s SER 431 CO 0.00 -1.77 -0.12 0.68 0.98 0.00 0.00 173.24 173.01 3bzi s VAL 432 N -2.46 1.61 0.17 5.02 -7.23 -0.69 -1.53 120.40 115.30 3bzi s VAL 432 Ca 0.66 -2.17 -0.11 0.00 -1.81 0.00 0.00 61.98 58.54 3bzi s VAL 432 Cb -0.20 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.64 3bzi s VAL 432 CO 0.45 -0.55 0.35 -0.83 -0.31 0.00 0.00 175.10 174.21 3bzi s GLY 433 N -3.32 0.29 -0.02 2.32 0.00 -0.01 -0.91 107.32 105.68 3bzi s GLY 433 Ca 0.23 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.28 3bzi s GLY 433 CO 0.07 -0.66 -0.01 0.14 0.00 0.00 0.00 173.10 172.63 3bzi s VAL 434 N -3.94 0.21 -0.47 1.40 1.01 -0.48 -0.67 120.40 117.46 3bzi s VAL 434 Ca 0.14 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 3bzi s VAL 434 Cb 0.02 -0.26 0.10 0.00 0.00 0.00 0.00 36.38 36.25 3bzi s VAL 434 CO -0.01 0.12 0.37 -0.22 0.00 0.00 0.00 175.10 175.36 3bzi s LEU 435 N 0.65 5.65 0.57 3.92 2.96 -0.24 -1.89 118.68 130.31 3bzi s LEU 435 Ca -0.06 -1.66 -0.17 0.00 -0.22 0.00 0.00 54.13 52.02 3bzi s LEU 435 Cb -0.10 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 3bzi s LEU 435 CO -0.01 -0.68 1.06 -0.36 -1.32 0.00 0.00 176.35 175.04 3bzi s PHE 436 N 1.49 2.94 -0.06 5.38 0.40 -0.14 -1.21 117.98 126.78 3bzi s PHE 436 Ca 0.04 1.53 0.20 0.00 -0.60 0.00 0.00 56.93 58.10 3bzi s PHE 436 Cb -0.26 -3.05 1.08 0.00 0.51 0.00 0.00 43.02 41.30 3bzi s PHE 436 CO 0.02 -1.13 1.57 -0.91 0.70 0.00 0.00 175.22 175.48 3bzi h ASN 437 N 0.71 0.00 -0.19 1.36 2.35 -0.94 0.23 115.58 119.10 3bzi h ASN 437 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3bzi h ASN 437 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3bzi h ASN 437 CO 0.57 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.45 3bzi n ASP 438 N -2.24 2.06 -1.53 5.81 5.75 -1.26 -4.93 116.55 120.20 3bzi n ASP 438 Ca -0.01 -2.19 -0.14 0.00 -0.01 0.00 0.00 54.79 52.43 3bzi n ASP 438 Cb 0.15 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 39.76 3bzi n ASP 438 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3bzi n SER 439 N 0.18 -3.73 -4.93 -1.12 7.64 0.82 -4.72 113.62 107.77 3bzi n SER 439 Ca 0.08 0.32 -0.26 0.00 1.01 0.00 0.00 58.87 60.03 3bzi n SER 439 Cb 0.43 -3.42 -0.02 0.00 -1.01 0.00 0.00 64.21 60.19 3bzi n SER 439 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3bzi s THR 440 N -2.24 5.11 0.11 0.44 -4.23 -1.25 -3.56 115.64 110.02 3bzi s THR 440 Ca 0.00 -0.34 0.08 0.00 -1.18 0.00 0.00 61.69 60.25 3bzi s THR 440 Cb 0.00 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 3bzi s THR 440 CO 0.00 -0.41 -0.20 0.00 -0.54 0.00 0.00 174.62 173.46 3bzi s ARG 441 N -3.91 1.14 -0.06 3.99 3.03 -0.31 -0.97 118.95 121.85 3bzi s ARG 441 Ca 0.40 -1.19 0.01 0.00 2.03 0.00 0.00 55.73 56.99 3bzi s ARG 441 Cb -0.10 -1.37 0.02 0.00 -1.03 0.00 0.00 34.95 32.47 3bzi s ARG 441 CO 0.33 0.31 -0.08 -1.17 -1.13 0.00 0.00 175.30 173.56 3bzi s LEU 442 N -2.01 1.43 -0.13 -1.89 2.96 -0.79 -0.76 118.68 117.48 3bzi s LEU 442 Ca 0.07 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3bzi s LEU 442 Cb -0.09 -0.66 -0.00 0.00 0.50 0.00 0.00 46.19 45.93 3bzi s LEU 442 CO 0.04 -0.03 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.22 3bzi s ILE 443 N 0.93 2.38 -0.30 6.68 1.01 -0.17 -1.38 121.20 130.35 3bzi s ILE 443 Ca -0.10 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 3bzi s ILE 443 Cb -0.15 -1.96 -0.00 0.00 0.01 0.00 0.00 42.46 40.36 3bzi s ILE 443 CO 0.01 0.54 0.11 -0.22 0.00 0.00 0.00 174.94 175.38 3bzi s LEU 444 N 0.54 3.91 0.81 2.97 2.96 -0.09 -1.18 118.68 128.60 3bzi s LEU 444 Ca -0.12 -0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 53.12 3bzi s LEU 444 Cb -0.17 -1.94 0.08 0.00 0.50 0.00 0.00 46.19 44.67 3bzi s LEU 444 CO 0.04 -0.17 1.10 -0.31 -1.32 0.00 0.00 176.35 175.69 3bzi s TYR 445 N 1.56 2.41 -2.00 5.38 1.51 0.55 -1.70 117.35 125.06 3bzi s TYR 445 Ca 0.04 1.53 0.04 0.00 -1.01 0.00 0.00 57.07 57.67 3bzi s TYR 445 Cb -0.17 -3.10 0.24 0.00 -0.11 0.00 0.00 41.96 38.82 3bzi s TYR 445 CO 0.04 -2.04 0.62 0.27 -1.11 0.00 0.00 175.55 173.33 3bzi n ASN 446 N -3.68 0.00 -0.10 2.29 0.23 -1.26 -1.41 115.26 111.32 3bzi n ASN 446 Ca 0.09 -0.25 0.15 0.00 -0.53 0.00 0.00 54.58 54.04 3bzi n ASN 446 Cb 0.53 0.00 0.75 0.00 -2.08 0.00 0.00 39.78 38.98 3bzi n ASN 446 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3bzi n ASP 447 N -0.84 0.35 -0.16 0.53 3.85 -1.26 -4.94 116.55 114.08 3bzi n ASP 447 Ca 0.03 -0.79 -0.02 0.00 -0.71 0.00 0.00 54.79 53.30 3bzi n ASP 447 Cb 0.01 -0.07 -0.01 0.00 -1.35 0.00 0.00 41.12 39.70 3bzi n ASP 447 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bzi n GLY 448 N 1.16 0.48 0.45 6.12 0.00 -0.50 -4.76 105.19 108.14 3bzi n GLY 448 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3bzi n GLY 448 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bzi n ASP 449 N -0.18 0.00 -4.74 1.61 2.03 -1.26 -4.95 116.55 109.06 3bzi n ASP 449 Ca -0.02 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.88 3bzi n ASP 449 Cb 0.23 0.03 -0.04 0.00 -0.72 0.00 0.00 41.12 40.62 3bzi n ASP 449 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3bzi s SER 450 N -2.78 7.28 0.13 1.67 0.01 -1.26 -1.05 113.70 117.70 3bzi s SER 450 Ca 0.00 2.11 0.10 0.00 1.31 0.00 0.00 55.95 59.47 3bzi s SER 450 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 3bzi s SER 450 CO 0.00 -0.19 -0.24 -0.76 0.41 0.00 0.00 173.24 172.46 3bzi s LEU 451 N -0.59 2.33 -0.09 2.44 1.43 0.31 -0.33 118.68 124.18 3bzi s LEU 451 Ca 0.48 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 3bzi s LEU 451 Cb -0.30 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 44.85 3bzi s LEU 451 CO 0.36 0.12 -0.15 -1.58 0.23 0.00 0.00 176.35 175.33 3bzi s GLN 452 N -2.13 2.10 -0.10 1.70 0.74 -0.33 -1.69 119.66 119.96 3bzi s GLN 452 Ca 0.12 -0.53 0.02 0.00 0.05 0.00 0.00 55.36 55.02 3bzi s GLN 452 Cb -0.10 -1.75 -0.02 0.00 1.10 0.00 0.00 33.01 32.25 3bzi s GLN 452 CO 0.06 -0.00 -0.16 -0.47 -0.55 0.00 0.00 175.29 174.17 3bzi s TYR 453 N 0.81 2.73 -0.15 1.67 5.04 0.44 -1.00 117.35 126.88 3bzi s TYR 453 Ca -0.11 -0.59 0.01 0.00 -2.44 0.00 0.00 57.07 53.95 3bzi s TYR 453 Cb -0.16 -1.76 0.02 0.00 0.35 0.00 0.00 41.96 40.41 3bzi s TYR 453 CO 0.02 -0.15 -0.17 0.42 -1.34 0.00 0.00 175.55 174.33 3bzi s ILE 454 N 0.06 1.74 1.02 3.14 1.09 0.06 0.46 121.20 128.76 3bzi s ILE 454 Ca -0.06 -0.75 -0.12 0.00 -1.10 0.00 0.00 60.65 58.62 3bzi s ILE 454 Cb -0.15 -1.59 0.20 0.00 -1.06 0.00 0.00 42.46 39.86 3bzi s ILE 454 CO 0.05 0.49 1.08 -1.61 -0.10 0.00 0.00 174.94 174.84 3bzi s GLU 455 N 1.27 0.26 0.37 2.79 0.41 -0.06 -1.17 118.70 122.57 3bzi s GLU 455 Ca 0.02 0.73 0.16 0.00 -0.41 0.00 0.00 54.97 55.46 3bzi s GLU 455 Cb -0.14 -1.70 1.04 0.00 -1.78 0.00 0.00 34.13 31.55 3bzi s GLU 455 CO -0.09 -2.90 1.74 -0.09 -0.49 0.00 0.00 175.26 173.44 3bzi h ARG 456 N -2.02 0.43 -0.00 1.61 2.43 -1.84 -0.39 114.38 114.60 3bzi h ARG 456 Ca -0.55 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 3bzi h ARG 456 Cb 1.32 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3bzi h ARG 456 CO 0.54 0.29 -0.02 -0.40 -1.51 0.00 0.00 179.97 178.86 3bzi n ASP 457 N -4.74 0.30 0.00 -3.80 3.85 -1.26 -4.89 116.55 106.01 3bzi n ASP 457 Ca 0.27 -0.82 0.00 0.00 -0.71 0.00 0.00 54.79 53.52 3bzi n ASP 457 Cb 0.86 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.57 3bzi n ASP 457 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bzi n GLY 458 N 1.13 0.64 3.65 6.12 0.00 -0.15 -5.03 105.19 111.54 3bzi n GLY 458 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3bzi n GLY 458 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bzi s THR 459 N -2.33 3.19 -0.11 2.61 2.01 -1.26 -4.75 115.64 114.99 3bzi s THR 459 Ca 0.00 0.22 -0.09 0.00 0.31 0.00 0.00 61.69 62.13 3bzi s THR 459 Cb 0.00 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 3bzi s THR 459 CO 0.00 -0.04 0.20 -1.61 -0.69 0.00 0.00 174.62 172.48 3bzi s GLU 460 N 4.67 3.70 0.20 4.92 2.02 -1.26 -0.88 118.70 132.07 3bzi s GLU 460 Ca 0.86 -0.02 0.10 0.00 0.02 0.00 0.00 54.97 55.93 3bzi s GLU 460 Cb -0.38 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 3bzi s GLU 460 CO 0.37 0.65 -0.17 -1.12 0.02 0.00 0.00 175.26 175.01 3bzi s SER 461 N -0.72 3.82 -0.14 -0.19 0.01 0.17 -4.96 113.70 111.71 3bzi s SER 461 Ca 0.16 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.68 3bzi s SER 461 Cb -0.13 -0.47 0.02 0.00 0.21 0.00 0.00 66.02 65.65 3bzi s SER 461 CO 0.05 0.10 -0.17 -0.31 0.41 0.00 0.00 173.24 173.32 3bzi s TYR 462 N -1.78 2.30 0.00 2.43 1.51 -1.26 -0.42 117.35 120.13 3bzi s TYR 462 Ca 0.24 -1.21 0.00 0.00 -1.01 0.00 0.00 57.07 55.09 3bzi s TYR 462 Cb -0.08 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 3bzi s TYR 462 CO 0.13 -0.61 0.00 1.28 -1.11 0.00 0.00 175.55 175.24 3bzi n LEU 463 N 4.39 0.00 -4.02 -1.29 4.32 -0.68 -5.03 117.00 114.70 3bzi n LEU 463 Ca -0.19 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.72 3bzi n LEU 463 Cb 0.51 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.21 3bzi n LEU 463 CO 0.24 0.00 -0.33 0.42 -1.22 0.00 0.00 177.39 176.50 3bzi s THR 464 N -2.17 0.16 0.13 -5.08 -4.23 -1.26 -0.53 115.64 102.65 3bzi s THR 464 Ca 0.00 -1.33 -0.19 0.00 -1.18 0.00 0.00 61.69 58.99 3bzi s THR 464 Cb 0.00 -0.93 -0.05 0.00 1.34 0.00 0.00 72.50 72.86 3bzi s THR 464 CO 0.00 -0.73 1.78 0.58 -0.54 0.00 0.00 174.62 175.71 3bzi h VAL 465 N 3.80 1.05 0.00 2.29 2.07 -1.44 -2.87 116.25 121.15 3bzi h VAL 465 Ca -0.33 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3bzi h VAL 465 Cb 1.18 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3bzi h VAL 465 CO 0.54 0.06 -0.00 0.77 0.02 0.00 0.00 177.57 178.95 3bzi h SER 466 N 0.32 0.00 0.95 0.57 4.64 -1.96 0.34 113.55 118.40 3bzi h SER 466 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3bzi h SER 466 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3bzi h SER 466 CO -0.03 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 176.71 3bzi h SER 467 N 0.00 0.00 -5.42 4.97 4.64 -1.89 -3.47 113.55 112.37 3bzi h SER 467 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3bzi h SER 467 Cb 0.03 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.21 3bzi h SER 467 CO 0.00 0.00 -0.38 1.41 -0.87 0.00 0.00 176.83 176.99 3bzi n HIS 468 N -2.96 -2.75 -2.42 4.77 8.25 0.12 -4.94 115.22 115.28 3bzi n HIS 468 Ca 0.01 1.01 -0.43 0.00 -0.26 0.00 0.00 57.72 58.05 3bzi n HIS 468 Cb 0.29 -4.11 -0.02 0.00 1.12 0.00 0.00 29.99 27.27 3bzi n HIS 468 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3bzi s PRO 469 N -3.63 3.69 0.28 -0.41 0.04 -1.26 -4.91 135.00 128.80 3bzi s PRO 469 Ca 0.20 0.93 0.02 0.00 0.04 0.00 0.00 61.00 62.19 3bzi s PRO 469 Cb -0.03 -3.97 0.65 0.00 0.04 0.00 0.00 34.50 31.19 3bzi s PRO 469 CO 0.75 -1.42 1.73 -0.91 0.04 0.00 0.00 177.00 177.19 3bzi h ASN 470 N 10.06 0.46 1.15 6.66 4.21 -2.00 -0.15 115.58 135.97 3bzi h ASN 470 Ca -0.26 0.12 -0.00 0.00 1.21 0.00 0.00 56.30 57.37 3bzi h ASN 470 Cb 1.09 0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 38.35 3bzi h ASN 470 CO 1.08 0.12 -0.01 0.77 -1.29 0.00 0.00 177.43 178.10 3bzi h SER 471 N 0.53 0.00 -0.03 5.81 4.64 -2.04 -3.10 113.55 119.36 3bzi h SER 471 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3bzi h SER 471 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3bzi h SER 471 CO -0.44 0.01 -0.01 0.18 -0.87 0.00 0.00 176.83 175.70 3bzi n LEU 472 N -3.10 2.88 -0.15 5.97 4.77 -0.08 -4.63 117.00 122.66 3bzi n LEU 472 Ca 0.01 -0.96 -0.10 0.00 -0.03 0.00 0.00 56.01 54.93 3bzi n LEU 472 Cb 0.34 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3bzi n LEU 472 CO 0.28 0.48 0.80 0.24 -1.33 0.00 0.00 177.39 177.87 3bzi h MET 473 N 4.52 0.73 -0.56 3.23 2.86 -1.46 0.13 114.93 124.39 3bzi h MET 473 Ca 0.00 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.35 3bzi h MET 473 Cb 0.96 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 3bzi h MET 473 CO 0.00 0.80 0.11 0.87 1.06 0.00 0.00 176.91 179.76 3bzi h LYS 474 N 0.57 0.91 -0.02 1.72 1.57 -1.82 -1.18 116.57 118.32 3bzi h LYS 474 Ca 0.12 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 3bzi h LYS 474 Cb 0.46 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3bzi h LYS 474 CO 0.02 0.86 -0.49 0.87 -0.57 0.00 0.00 179.45 180.15 3bzi h LYS 475 N 0.81 0.06 -0.30 3.15 1.57 -1.65 -1.34 116.57 118.86 3bzi h LYS 475 Ca 0.17 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3bzi h LYS 475 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3bzi h LYS 475 CO 0.01 0.53 -0.06 0.82 -0.57 0.00 0.00 179.45 180.18 3bzi h ILE 476 N 0.04 1.28 -0.52 1.86 2.04 -0.58 -0.98 117.51 120.64 3bzi h ILE 476 Ca -0.00 -1.08 0.06 0.00 1.00 0.00 0.00 64.86 64.84 3bzi h ILE 476 Cb 0.88 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.27 3bzi h ILE 476 CO 0.07 0.35 0.22 0.74 0.00 0.00 0.00 178.15 179.52 3bzi h THR 477 N 0.35 0.88 -0.20 -0.27 2.02 -0.66 -0.02 112.91 114.99 3bzi h THR 477 Ca 0.08 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3bzi h THR 477 Cb 0.54 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3bzi h THR 477 CO 0.03 0.08 0.08 -0.07 0.37 0.00 0.00 175.52 176.01 3bzi h LEU 478 N 0.42 0.28 -0.76 2.58 3.38 -1.14 0.01 115.31 120.09 3bzi h LEU 478 Ca 0.24 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.14 3bzi h LEU 478 Cb 0.22 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 3bzi h LEU 478 CO -0.22 0.36 0.41 0.25 0.09 0.00 0.00 178.44 179.33 3bzi h LEU 479 N 0.18 0.56 -1.16 1.67 6.46 -0.86 -0.42 115.31 121.73 3bzi h LEU 479 Ca 0.07 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 3bzi h LEU 479 Cb 0.17 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 3bzi h LEU 479 CO -0.01 0.32 0.57 0.11 -0.62 0.00 0.00 178.44 178.81 3bzi h LYS 480 N 0.68 1.12 -0.24 1.25 1.57 -0.13 -0.21 116.57 120.61 3bzi h LYS 480 Ca 0.37 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.96 3bzi h LYS 480 Cb 0.37 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3bzi h LYS 480 CO -0.26 0.74 -0.35 1.88 -0.57 0.00 0.00 179.45 180.89 3bzi h TYR 481 N 1.15 0.61 -0.13 -1.35 -1.99 0.18 -1.55 116.97 113.89 3bzi h TYR 481 Ca 0.32 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.89 3bzi h TYR 481 Cb -0.11 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.48 3bzi h TYR 481 CO -0.00 0.80 0.08 0.74 -0.00 0.00 0.00 178.16 179.79 3bzi h PHE 482 N 0.44 0.16 -0.41 4.88 -1.00 -0.75 -2.03 116.94 118.23 3bzi h PHE 482 Ca 0.05 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.87 3bzi h PHE 482 Cb 0.82 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 40.29 3bzi h PHE 482 CO 0.03 0.11 0.19 -0.09 -1.61 0.00 0.00 178.31 176.94 3bzi h ARG 483 N 0.17 0.38 -0.05 1.51 2.43 -0.85 -1.97 114.38 115.99 3bzi h ARG 483 Ca 0.05 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3bzi h ARG 483 Cb -0.01 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3bzi h ARG 483 CO -0.01 0.25 -0.08 -0.97 -1.51 0.00 0.00 179.97 177.65 3bzi h ASN 484 N 0.39 -0.25 -0.73 -3.80 -0.73 -1.29 -1.20 115.58 107.96 3bzi h ASN 484 Ca 0.18 0.05 0.11 0.00 1.87 0.00 0.00 56.30 58.51 3bzi h ASN 484 Cb 0.11 0.12 -0.08 0.00 0.27 0.00 0.00 38.32 38.74 3bzi h ASN 484 CO -0.14 -0.12 0.34 0.22 -0.37 0.00 0.00 177.43 177.36 3bzi h TYR 485 N -0.12 0.60 -0.15 0.67 3.20 -1.01 0.58 116.97 120.73 3bzi h TYR 485 Ca 0.05 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.75 3bzi h TYR 485 Cb 0.19 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.31 3bzi h TYR 485 CO -0.17 0.17 -0.68 0.52 -1.64 0.00 0.00 178.16 176.36 3bzi h MET 486 N 0.55 0.73 -0.45 1.82 2.86 -1.22 -0.91 114.93 118.31 3bzi h MET 486 Ca 0.38 -0.58 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3bzi h MET 486 Cb 0.47 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3bzi h MET 486 CO -0.32 1.19 0.28 1.03 1.06 0.00 0.00 176.91 180.15 3bzi h SER 487 N 0.43 0.53 -0.35 1.22 0.87 -0.73 -2.17 113.55 113.35 3bzi h SER 487 Ca -0.04 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 3bzi h SER 487 Cb 1.31 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 3bzi h SER 487 CO 0.14 0.41 0.09 -0.33 -0.53 0.00 0.00 176.83 176.62 3bzi h GLU 488 N 0.60 0.56 0.00 2.24 4.39 -0.80 -3.40 114.58 118.17 3bzi h GLU 488 Ca 0.16 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3bzi h GLU 488 Cb -0.03 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3bzi h GLU 488 CO -0.03 0.60 -1.14 0.72 -1.16 0.00 0.00 179.01 178.00 3bzi n HIS 489 N -4.62 0.00 -4.35 4.33 8.25 -0.35 -5.05 115.22 113.42 3bzi n HIS 489 Ca -0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.13 3bzi n HIS 489 Cb 0.19 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.13 3bzi n HIS 489 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3bzi s LEU 490 N -3.32 3.28 0.49 2.41 1.43 -0.83 -5.06 118.68 117.09 3bzi s LEU 490 Ca -0.01 -0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 52.77 3bzi s LEU 490 Cb 0.02 -1.92 -0.08 0.00 0.03 0.00 0.00 46.19 44.24 3bzi s LEU 490 CO 0.12 0.26 0.99 -0.76 0.23 0.00 0.00 176.35 177.19 3bzi s LEU 491 N -1.63 3.74 -0.58 1.79 1.43 -1.26 -4.80 118.68 117.37 3bzi s LEU 491 Ca 0.19 1.69 -0.21 0.00 -1.03 0.00 0.00 54.13 54.76 3bzi s LEU 491 Cb -0.11 -4.53 0.07 0.00 0.03 0.00 0.00 46.19 41.65 3bzi s LEU 491 CO 0.10 -0.61 0.82 -0.75 0.23 0.00 0.00 176.35 176.14 3bzi s LYS 492 N -3.67 3.15 0.23 1.70 2.20 -1.26 -4.57 119.74 117.52 3bzi s LYS 492 Ca 0.62 -0.81 -0.31 0.00 -0.36 0.00 0.00 55.97 55.10 3bzi s LYS 492 Cb -0.11 -4.16 -0.14 0.00 -1.51 0.00 0.00 37.83 31.91 3bzi s LYS 492 CO 0.24 -1.53 1.36 0.00 -0.36 0.00 0.00 175.35 175.07 3bzi n ALA 493 N 6.98 0.78 -1.62 3.13 0.00 0.17 -1.74 120.51 128.20 3bzi n ALA 493 Ca -0.04 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.70 3bzi n ALA 493 Cb 0.45 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 3bzi n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bzi n GLY 494 N 2.11 0.83 0.34 0.00 0.00 -1.26 -4.68 105.19 102.54 3bzi n GLY 494 Ca 0.12 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.80 3bzi n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bzi h ALA 495 N 0.18 1.60 0.00 4.61 0.00 -1.76 -1.74 119.26 122.15 3bzi h ALA 495 Ca -0.25 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3bzi h ALA 495 Cb 0.90 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3bzi h ALA 495 CO 0.34 -0.12 -0.11 -2.95 0.00 0.00 0.00 179.25 176.40 3bzi h ASN 496 N 0.67 0.00 -3.36 0.00 -1.07 -1.91 -3.45 115.58 106.46 3bzi h ASN 496 Ca 0.57 0.00 -0.54 0.00 0.07 0.00 0.00 56.30 56.40 3bzi h ASN 496 Cb 0.93 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.16 3bzi h ASN 496 CO -0.41 0.11 0.41 -0.63 0.07 0.00 0.00 177.43 176.99 3bzi s ILE 497 N -3.46 4.72 -0.25 6.14 1.09 -0.65 -5.03 121.20 123.76 3bzi s ILE 497 Ca 0.03 1.95 -0.29 0.00 -1.10 0.00 0.00 60.65 61.24 3bzi s ILE 497 Cb 0.08 -4.25 0.01 0.00 -1.06 0.00 0.00 42.46 37.24 3bzi s ILE 497 CO 0.63 0.14 1.06 -0.89 -0.10 0.00 0.00 174.94 175.78 3bzi s THR 498 N 1.07 4.62 0.72 2.92 2.01 -1.26 -5.06 115.64 120.67 3bzi s THR 498 Ca 0.53 1.94 -0.12 0.00 0.31 0.00 0.00 61.69 64.35 3bzi s THR 498 Cb -0.22 -4.32 0.03 0.00 0.01 0.00 0.00 72.50 68.00 3bzi s THR 498 CO 0.28 -0.25 1.09 -2.16 -0.69 0.00 0.00 174.62 172.89 3bzi s PRO 499 N 3.32 2.53 0.54 4.92 0.04 -1.26 -4.99 135.00 140.09 3bzi s PRO 499 Ca 0.45 1.23 -0.19 0.00 0.04 0.00 0.00 61.00 62.53 3bzi s PRO 499 Cb -0.15 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 3bzi s PRO 499 CO 0.09 -1.44 1.11 -0.98 0.04 0.00 0.00 177.00 175.82 3bzi s ARG 500 N -4.60 3.42 -0.12 4.56 1.70 -0.72 -4.94 118.95 118.25 3bzi s ARG 500 Ca 0.63 1.56 -0.29 0.00 -0.47 0.00 0.00 55.73 57.16 3bzi s ARG 500 Cb -0.18 -2.02 -0.03 0.00 -0.57 0.00 0.00 34.95 32.15 3bzi s ARG 500 CO 0.50 -0.78 1.30 -2.00 -1.08 0.00 0.00 175.30 173.24 3bzi s GLU 501 N -3.29 4.26 0.43 3.89 2.56 -1.26 -4.41 118.70 120.87 3bzi s GLU 501 Ca 0.72 1.75 -0.22 0.00 0.00 0.00 0.00 54.97 57.21 3bzi s GLU 501 Cb -0.22 -3.73 -0.10 0.00 2.00 0.00 0.00 34.13 32.08 3bzi s GLU 501 CO 0.26 -0.66 1.00 0.20 -0.56 0.00 0.00 175.26 175.50 3bzi s GLY 502 N 2.01 2.55 0.00 -1.50 0.00 -1.26 -5.05 107.32 104.07 3bzi s GLY 502 Ca 0.58 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.84 3bzi s GLY 502 CO 0.19 0.88 0.00 2.09 0.00 0.00 0.00 173.10 176.26 3bzi n ASP 503 N -0.49 0.15 -0.01 1.64 5.68 -1.26 -4.99 116.55 117.26 3bzi n ASP 503 Ca 0.07 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.50 3bzi n ASP 503 Cb 0.52 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.24 3bzi n ASP 503 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3bzi n GLU 504 N 0.00 0.44 0.03 0.11 1.02 -1.26 -2.60 120.64 118.38 3bzi n GLU 504 Ca 0.00 -0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.23 3bzi n GLU 504 Cb 0.00 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.04 3bzi n GLU 504 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3bzi n LEU 505 N -1.26 0.62 -4.68 -4.62 4.77 -1.26 -4.91 117.00 105.66 3bzi n LEU 505 Ca 0.14 0.03 -0.29 0.00 -0.03 0.00 0.00 56.01 55.86 3bzi n LEU 505 Cb 0.25 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 3bzi n LEU 505 CO 0.23 0.05 -0.33 0.00 -1.33 0.00 0.00 177.39 176.02 3bzi s ALA 506 N -3.12 3.27 0.14 -1.18 0.00 -1.07 -5.14 121.76 114.66 3bzi s ALA 506 Ca 0.07 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 50.78 3bzi s ALA 506 Cb 0.15 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 3bzi s ALA 506 CO 0.75 0.62 0.17 -0.98 0.00 0.00 0.00 175.76 176.32 3bzi s ARG 507 N -2.54 1.02 0.02 0.00 1.70 -1.26 -4.81 118.95 113.08 3bzi s ARG 507 Ca 0.26 -1.28 -0.34 0.00 -0.47 0.00 0.00 55.73 53.90 3bzi s ARG 507 Cb -0.11 0.31 -0.13 0.00 -0.57 0.00 0.00 34.95 34.45 3bzi s ARG 507 CO 0.19 -0.33 1.72 -0.11 -1.08 0.00 0.00 175.30 175.69 3bzi n LEU 508 N -0.14 3.19 -4.95 -1.89 -0.00 -1.26 -4.93 117.00 107.02 3bzi n LEU 508 Ca -0.07 1.03 -0.23 0.00 -0.00 0.00 0.00 56.01 56.73 3bzi n LEU 508 Cb 0.63 -1.38 0.01 0.00 -0.00 0.00 0.00 43.42 42.68 3bzi n LEU 508 CO 0.27 -0.21 0.30 -2.16 -0.00 0.00 0.00 177.39 175.59 3bzi s PRO 509 N 2.55 3.10 0.36 1.96 0.04 -1.26 -5.02 135.00 136.74 3bzi s PRO 509 Ca 0.87 -0.42 0.08 0.00 0.04 0.00 0.00 61.00 61.57 3bzi s PRO 509 Cb -0.71 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 3bzi s PRO 509 CO 0.46 -0.27 0.25 1.52 0.04 0.00 0.00 177.00 179.00 3bzi s TYR 510 N -2.58 2.76 -0.31 0.56 -0.85 -1.26 -4.88 117.35 110.79 3bzi s TYR 510 Ca 0.48 -0.41 -0.29 0.00 -0.52 0.00 0.00 57.07 56.33 3bzi s TYR 510 Cb -0.10 -1.84 0.01 0.00 0.38 0.00 0.00 41.96 40.41 3bzi s TYR 510 CO 0.39 0.17 1.10 -1.17 -1.52 0.00 0.00 175.55 174.52 3bzi s LEU 511 N -3.96 3.94 -0.06 -3.49 2.96 -1.26 -0.48 118.68 116.33 3bzi s LEU 511 Ca 0.41 1.10 -0.22 0.00 -0.22 0.00 0.00 54.13 55.20 3bzi s LEU 511 Cb -0.03 -3.54 -0.31 0.00 0.50 0.00 0.00 46.19 42.81 3bzi s LEU 511 CO 0.25 -0.89 0.87 -0.09 -1.32 0.00 0.00 176.35 175.17 3bzi h ARG 512 N 8.20 0.27 -2.58 1.98 9.65 -1.27 -3.47 114.38 127.17 3bzi h ARG 512 Ca -0.21 -0.47 0.10 0.00 -1.10 0.00 0.00 59.98 58.30 3bzi h ARG 512 Cb 1.07 0.17 -0.10 0.00 -1.39 0.00 0.00 29.97 29.72 3bzi h ARG 512 CO 1.03 1.22 0.38 -0.08 2.80 0.00 0.00 179.97 185.33 3bzi s THR 513 N -2.41 0.00 0.19 0.20 -1.32 -1.19 -5.04 115.64 106.06 3bzi s THR 513 Ca -0.14 -0.45 -0.12 0.00 -1.21 0.00 0.00 61.69 59.77 3bzi s THR 513 Cb 0.01 -1.56 0.00 0.00 -1.51 0.00 0.00 72.50 69.44 3bzi s THR 513 CO 0.82 0.00 0.39 -1.66 -2.21 0.00 0.00 174.62 171.95 3bzi s TRP 514 N -3.46 0.23 0.10 9.09 1.48 -1.26 -1.10 118.94 124.03 3bzi s TRP 514 Ca 0.08 -0.59 -0.25 0.00 -1.06 0.00 0.00 56.10 54.28 3bzi s TRP 514 Cb -0.02 0.12 0.07 0.00 -1.16 0.00 0.00 33.47 32.48 3bzi s TRP 514 CO -0.02 -0.82 0.64 -0.59 -4.06 0.00 0.00 176.95 172.10 3bzi s PHE 515 N -3.94 -0.55 -0.08 1.66 -0.12 -0.62 -5.01 117.98 109.32 3bzi s PHE 515 Ca 0.15 0.48 -0.01 0.00 -0.05 0.00 0.00 56.93 57.51 3bzi s PHE 515 Cb 0.01 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.90 3bzi s PHE 515 CO 0.00 -0.77 -0.03 1.03 -0.05 0.00 0.00 175.22 175.40 3bzi s ARG 516 N -3.16 2.90 0.10 1.99 0.52 -1.26 -0.61 118.95 119.42 3bzi s ARG 516 Ca -0.01 -0.46 0.01 0.00 -0.52 0.00 0.00 55.73 54.75 3bzi s ARG 516 Cb -0.01 -2.72 0.01 0.00 0.52 0.00 0.00 34.95 32.76 3bzi s ARG 516 CO -0.08 0.68 0.08 0.25 0.02 0.00 0.00 175.30 176.25 3bzi n THR 517 N 2.20 0.00 0.45 0.02 -2.24 0.52 -5.00 114.28 110.23 3bzi n THR 517 Ca -0.18 -0.37 0.12 0.00 -2.27 0.00 0.00 64.05 61.34 3bzi n THR 517 Cb 0.53 -0.50 0.47 0.00 -2.10 0.00 0.00 70.33 68.74 3bzi n THR 517 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3bzi n ARG 518 N -0.80 0.21 -0.00 -0.78 1.85 -1.26 -3.31 116.66 112.56 3bzi n ARG 518 Ca 0.00 0.37 0.02 0.00 -1.00 0.00 0.00 57.85 57.25 3bzi n ARG 518 Cb 0.11 -1.85 -0.04 0.00 -1.05 0.00 0.00 32.46 29.63 3bzi n ARG 518 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3bzi n SER 519 N -2.23 3.34 -3.56 2.89 7.64 -1.26 -4.96 113.62 115.48 3bzi n SER 519 Ca 0.03 -0.09 -0.10 0.00 1.01 0.00 0.00 58.87 59.71 3bzi n SER 519 Cb 0.27 1.19 -0.02 0.00 -1.01 0.00 0.00 64.21 64.64 3bzi n SER 519 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bzi s ALA 520 N -2.20 -1.49 -0.12 -0.43 0.00 -1.21 -1.21 121.76 115.10 3bzi s ALA 520 Ca -0.01 0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.16 3bzi s ALA 520 Cb 0.03 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 3bzi s ALA 520 CO 0.20 -0.85 0.06 -1.50 0.00 0.00 0.00 175.76 173.66 3bzi s ILE 521 N -3.77 4.76 -0.22 0.00 2.07 -0.46 -0.36 121.20 123.22 3bzi s ILE 521 Ca 0.04 -0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.19 3bzi s ILE 521 Cb -0.03 -3.07 -0.00 0.00 0.13 0.00 0.00 42.46 39.50 3bzi s ILE 521 CO -0.07 0.57 -0.06 -0.63 -1.91 0.00 0.00 174.94 172.84 3bzi s ILE 522 N -0.56 3.22 -0.19 2.00 1.09 0.22 -0.96 121.20 126.02 3bzi s ILE 522 Ca 0.11 -0.56 0.00 0.00 -1.10 0.00 0.00 60.65 59.10 3bzi s ILE 522 Cb -0.12 -2.46 0.02 0.00 -1.06 0.00 0.00 42.46 38.84 3bzi s ILE 522 CO 0.02 0.43 -0.18 -0.76 -0.10 0.00 0.00 174.94 174.35 3bzi s LEU 523 N 1.45 2.26 -0.29 2.97 1.43 0.64 -1.59 118.68 125.55 3bzi s LEU 523 Ca 0.06 -0.64 -0.03 0.00 -1.03 0.00 0.00 54.13 52.49 3bzi s LEU 523 Cb -0.14 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.61 3bzi s LEU 523 CO -0.04 -0.01 0.00 -2.28 0.23 0.00 0.00 176.35 174.25 3bzi s HIS 524 N 1.31 3.21 0.39 0.29 2.46 -0.26 -0.03 115.29 122.65 3bzi s HIS 524 Ca 0.05 -1.68 -0.04 0.00 0.47 0.00 0.00 55.06 53.86 3bzi s HIS 524 Cb -0.13 -2.13 -0.04 0.00 -0.13 0.00 0.00 32.58 30.15 3bzi s HIS 524 CO -0.12 -0.76 0.65 -0.51 -2.47 0.00 0.00 174.74 171.53 3bzi s LEU 525 N 1.31 3.87 0.00 8.88 1.43 0.51 -0.78 118.68 133.90 3bzi s LEU 525 Ca -0.03 0.73 0.16 0.00 -1.03 0.00 0.00 54.13 53.96 3bzi s LEU 525 Cb -0.19 -3.62 0.91 0.00 0.03 0.00 0.00 46.19 43.32 3bzi s LEU 525 CO -0.01 -0.38 1.42 -1.54 0.23 0.00 0.00 176.35 176.07 3bzi n SER 526 N -1.72 0.00 -1.16 2.29 3.41 0.36 -1.48 113.62 115.33 3bzi n SER 526 Ca -0.02 -0.26 0.10 0.00 -0.26 0.00 0.00 58.87 58.44 3bzi n SER 526 Cb 0.55 -0.13 0.28 0.00 -0.26 0.00 0.00 64.21 64.65 3bzi n SER 526 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3bzi n ASN 527 N -1.13 3.35 0.00 4.04 0.23 -1.26 -4.91 115.26 115.58 3bzi n ASN 527 Ca 0.10 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.15 3bzi n ASN 527 Cb 0.09 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.37 3bzi n ASN 527 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bzi n GLY 528 N 1.50 0.89 3.77 4.83 0.00 -0.55 -4.92 105.19 110.70 3bzi n GLY 528 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3bzi n GLY 528 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bzi s SER 529 N -2.65 6.85 -0.13 1.61 0.01 -1.24 -4.43 113.70 113.72 3bzi s SER 529 Ca 0.00 2.29 0.02 0.00 1.31 0.00 0.00 55.95 59.57 3bzi s SER 529 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.63 3bzi s SER 529 CO 0.00 -0.44 -0.18 -0.69 0.41 0.00 0.00 173.24 172.34 3bzi s VAL 530 N -1.35 1.75 0.02 3.43 1.01 -0.38 -0.36 120.40 124.53 3bzi s VAL 530 Ca 0.52 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.77 3bzi s VAL 530 Cb -0.30 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3bzi s VAL 530 CO 0.39 0.49 -0.12 -1.58 0.00 0.00 0.00 175.10 174.28 3bzi s GLN 531 N 1.02 2.32 -0.10 2.72 0.74 0.95 -1.59 119.66 125.73 3bzi s GLN 531 Ca -0.04 -0.85 -0.02 0.00 0.05 0.00 0.00 55.36 54.50 3bzi s GLN 531 Cb -0.15 -2.35 0.04 0.00 1.10 0.00 0.00 33.01 31.65 3bzi s GLN 531 CO -0.04 0.57 0.03 0.42 -0.55 0.00 0.00 175.29 175.72 3bzi s ILE 532 N -0.97 0.24 -0.31 -2.34 1.01 0.01 -0.26 121.20 118.58 3bzi s ILE 532 Ca 0.16 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.79 3bzi s ILE 532 Cb -0.11 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.84 3bzi s ILE 532 CO 0.07 0.11 0.10 0.20 0.00 0.00 0.00 174.94 175.42 3bzi s ASN 533 N 2.01 5.24 -0.03 3.58 -0.87 -0.13 -0.35 114.94 124.39 3bzi s ASN 533 Ca 0.04 -0.83 -0.30 0.00 -1.57 0.00 0.00 52.86 50.20 3bzi s ASN 533 Cb -0.13 -1.90 -0.03 0.00 -0.02 0.00 0.00 41.25 39.17 3bzi s ASN 533 CO -0.06 -0.24 1.05 -0.36 -2.57 0.00 0.00 177.10 174.93 3bzi s PHE 534 N 1.49 3.51 0.04 2.20 0.40 -0.37 -1.36 117.98 123.88 3bzi s PHE 534 Ca 0.02 1.54 -0.26 0.00 -0.60 0.00 0.00 56.93 57.62 3bzi s PHE 534 Cb -0.18 -3.23 -0.17 0.00 0.51 0.00 0.00 43.02 39.95 3bzi s PHE 534 CO 0.03 -0.46 1.47 0.74 0.70 0.00 0.00 175.22 177.71 3bzi h PHE 535 N 6.99 -0.26 0.03 0.36 0.04 -1.48 -2.61 116.94 120.01 3bzi h PHE 535 Ca -0.37 -0.01 -0.23 0.00 2.80 0.00 0.00 57.97 60.17 3bzi h PHE 535 Cb 1.19 0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.40 3bzi h PHE 535 CO 0.70 -0.02 -1.10 1.96 -0.60 0.00 0.00 178.31 179.25 3bzi h GLN 536 N -0.48 0.05 -0.00 1.51 1.08 -1.95 -3.31 115.11 112.01 3bzi h GLN 536 Ca -0.03 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3bzi h GLN 536 Cb 0.36 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 3bzi h GLN 536 CO 0.05 1.01 -0.49 -0.40 -0.95 0.00 0.00 178.83 178.05 3bzi n ASP 537 N -3.36 0.86 -0.24 1.46 5.68 -1.26 -5.00 116.55 114.69 3bzi n ASP 537 Ca -0.03 -0.93 -0.03 0.00 -0.50 0.00 0.00 54.79 53.30 3bzi n ASP 537 Cb 0.96 0.83 -0.01 0.00 -1.14 0.00 0.00 41.12 41.76 3bzi n ASP 537 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3bzi n HIS 538 N -0.93 0.00 -2.10 2.11 8.25 -0.98 -4.69 115.22 116.87 3bzi n HIS 538 Ca 0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.17 3bzi n HIS 538 Cb 0.22 -1.08 0.00 0.00 1.12 0.00 0.00 29.99 30.26 3bzi n HIS 538 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3bzi s THR 539 N -1.92 3.96 -0.02 1.59 -4.23 -1.25 -4.83 115.64 108.95 3bzi s THR 539 Ca 0.00 0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 61.35 3bzi s THR 539 Cb 0.00 -3.45 0.01 0.00 1.34 0.00 0.00 72.50 70.40 3bzi s THR 539 CO 0.00 -0.55 0.18 -0.54 -0.54 0.00 0.00 174.62 173.16 3bzi s LYS 540 N -4.11 0.44 -0.02 3.99 1.02 -0.60 -1.24 119.74 119.22 3bzi s LYS 540 Ca 0.62 -0.18 0.08 0.00 0.02 0.00 0.00 55.97 56.51 3bzi s LYS 540 Cb -0.15 0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.33 3bzi s LYS 540 CO 0.36 -0.10 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.94 3bzi s LEU 541 N -0.95 2.05 -0.24 3.17 1.43 0.52 -0.89 118.68 123.77 3bzi s LEU 541 Ca -0.10 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 3bzi s LEU 541 Cb -0.06 -1.28 0.06 0.00 0.03 0.00 0.00 46.19 44.95 3bzi s LEU 541 CO 0.02 0.30 -0.06 -0.63 0.23 0.00 0.00 176.35 176.21 3bzi s ILE 542 N -0.58 1.62 -0.17 -0.59 1.01 -0.49 -0.81 121.20 121.20 3bzi s ILE 542 Ca 0.10 -1.29 -0.06 0.00 0.00 0.00 0.00 60.65 59.40 3bzi s ILE 542 Cb -0.10 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 3bzi s ILE 542 CO -0.01 -0.10 0.02 -0.76 0.00 0.00 0.00 174.94 174.09 3bzi s LEU 543 N 1.35 3.60 -0.13 2.97 1.43 -0.62 -0.15 118.68 127.13 3bzi s LEU 543 Ca -0.06 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 3bzi s LEU 543 Cb -0.19 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.15 3bzi s LEU 543 CO -0.06 0.18 -0.20 0.00 0.23 0.00 0.00 176.35 176.50 3bzi h PRO 545 N 7.28 0.00 0.07 0.00 0.13 -1.85 0.69 132.00 138.32 3bzi h PRO 545 Ca -0.31 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.59 3bzi h PRO 545 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3bzi h PRO 545 CO 0.53 0.00 -1.24 -0.07 -0.23 0.00 0.00 178.00 176.99 3bzi h LEU 546 N 0.00 0.22 -1.19 1.56 4.07 -1.93 -3.24 115.31 114.80 3bzi h LEU 546 Ca 0.00 -0.77 0.00 0.00 0.08 0.00 0.00 57.88 57.19 3bzi h LEU 546 Cb 0.77 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.44 3bzi h LEU 546 CO 0.00 1.52 0.00 0.24 -1.08 0.00 0.00 178.44 179.12 3bzi h MET 547 N -0.57 0.00 -6.34 1.13 2.86 -1.95 -3.47 114.93 106.58 3bzi h MET 547 Ca -0.29 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 56.89 3bzi h MET 547 Cb 1.55 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.23 3bzi h MET 547 CO -0.03 0.00 -0.90 0.00 1.06 0.00 0.00 176.91 177.04 3bzi n ALA 548 N -1.97 -2.23 -2.25 6.32 0.00 0.09 -4.82 120.51 115.64 3bzi n ALA 548 Ca 0.01 -0.25 -0.14 0.00 0.00 0.00 0.00 53.44 53.07 3bzi n ALA 548 Cb 0.28 -2.59 -0.10 0.00 0.00 0.00 0.00 19.45 17.04 3bzi n ALA 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bzi s ALA 549 N -3.72 1.38 -0.01 0.00 0.00 -0.34 -1.17 121.76 117.89 3bzi s ALA 549 Ca 0.19 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.46 3bzi s ALA 549 Cb -0.07 0.94 0.01 0.00 0.00 0.00 0.00 23.12 24.01 3bzi s ALA 549 CO 0.87 -0.45 -0.00 0.54 0.00 0.00 0.00 175.76 176.72 3bzi s VAL 550 N -3.85 0.11 -0.18 0.00 0.11 -0.60 -1.25 120.40 114.73 3bzi s VAL 550 Ca 0.32 0.04 -0.06 0.00 -2.93 0.00 0.00 61.98 59.35 3bzi s VAL 550 Cb 0.07 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.72 3bzi s VAL 550 CO 0.09 0.09 0.03 -0.89 -3.33 0.00 0.00 175.10 171.08 3bzi s THR 551 N 0.55 4.45 -0.19 5.04 2.01 0.78 -0.06 115.64 128.22 3bzi s THR 551 Ca -0.05 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 3bzi s THR 551 Cb -0.08 -2.99 -0.00 0.00 0.01 0.00 0.00 72.50 69.44 3bzi s THR 551 CO -0.01 0.46 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.80 3bzi s TYR 552 N 0.49 2.88 -0.43 4.92 5.04 0.86 -1.39 117.35 129.72 3bzi s TYR 552 Ca 0.01 -1.10 -0.17 0.00 -2.44 0.00 0.00 57.07 53.37 3bzi s TYR 552 Cb -0.13 -2.00 0.03 0.00 0.35 0.00 0.00 41.96 40.20 3bzi s TYR 552 CO 0.01 -0.57 0.41 0.42 -1.34 0.00 0.00 175.55 174.48 3bzi s ILE 553 N 1.23 5.14 0.05 3.14 1.01 -0.07 -1.06 121.20 130.64 3bzi s ILE 553 Ca 0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 3bzi s ILE 553 Cb -0.14 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.31 3bzi s ILE 553 CO -0.05 -0.43 0.07 -0.90 0.00 0.00 0.00 174.94 173.63 3bzi n ASP 554 N 5.47 0.04 0.00 3.58 5.68 0.54 -1.56 116.55 130.30 3bzi n ASP 554 Ca -0.09 -1.05 0.13 0.00 -0.50 0.00 0.00 54.79 53.28 3bzi n ASP 554 Cb 0.47 -0.05 0.63 0.00 -1.14 0.00 0.00 41.12 41.03 3bzi n ASP 554 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3bzi n GLU 555 N -1.14 0.28 -0.02 0.11 0.00 -1.26 -1.69 120.64 116.91 3bzi n GLU 555 Ca 0.01 0.05 0.12 0.00 0.00 0.00 0.00 57.16 57.34 3bzi n GLU 555 Cb 0.04 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.18 3bzi n GLU 555 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3bzi n LYS 556 N -1.34 2.20 -1.20 3.44 5.02 -1.26 -4.96 118.16 120.07 3bzi n LYS 556 Ca 0.11 -1.75 -0.07 0.00 -2.02 0.00 0.00 58.31 54.58 3bzi n LYS 556 Cb 0.23 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3bzi n LYS 556 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3bzi n ARG 557 N 1.10 -0.71 -2.11 1.97 1.74 -0.68 -5.01 116.66 112.96 3bzi n ARG 557 Ca 0.16 0.67 -0.42 0.00 -0.77 0.00 0.00 57.85 57.49 3bzi n ARG 557 Cb 0.54 -4.50 -0.03 0.00 -1.02 0.00 0.00 32.46 27.45 3bzi n ARG 557 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3bzi s ASP 558 N -2.66 6.76 -0.30 0.55 1.01 -1.26 -4.74 116.67 116.04 3bzi s ASP 558 Ca 0.00 2.49 -0.08 0.00 0.71 0.00 0.00 52.55 55.67 3bzi s ASP 558 Cb 0.00 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 3bzi s ASP 558 CO 0.00 -0.65 0.11 0.12 0.21 0.00 0.00 175.17 174.95 3bzi s PHE 559 N 0.50 3.15 0.01 4.23 5.36 -1.26 -0.34 117.98 129.63 3bzi s PHE 559 Ca 0.62 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.86 3bzi s PHE 559 Cb -0.39 -2.29 -0.01 0.00 -0.34 0.00 0.00 43.02 39.99 3bzi s PHE 559 CO 0.36 -0.50 -0.05 1.03 -1.46 0.00 0.00 175.22 174.60 3bzi s ARG 560 N 1.56 0.39 -0.16 10.12 0.52 -0.23 -4.98 118.95 126.17 3bzi s ARG 560 Ca 0.04 -0.37 -0.02 0.00 -0.52 0.00 0.00 55.73 54.86 3bzi s ARG 560 Cb -0.17 -0.28 -0.02 0.00 0.52 0.00 0.00 34.95 35.01 3bzi s ARG 560 CO 0.04 0.07 -0.07 0.99 0.02 0.00 0.00 175.30 176.34 3bzi s THR 561 N -0.60 3.44 -0.01 0.02 2.01 -1.26 -0.09 115.64 119.15 3bzi s THR 561 Ca -0.03 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.53 3bzi s THR 561 Cb -0.05 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 3bzi s THR 561 CO -0.00 0.48 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.89 3bzi s TYR 562 N 0.67 2.47 -0.06 4.92 1.51 0.92 -0.06 117.35 127.72 3bzi s TYR 562 Ca -0.04 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.39 3bzi s TYR 562 Cb -0.15 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 3bzi s TYR 562 CO 0.02 0.09 1.11 0.50 -1.11 0.00 0.00 175.55 176.16 3bzi s ARG 563 N -0.83 4.40 0.30 -0.62 3.52 -0.32 -1.56 118.95 123.84 3bzi s ARG 563 Ca 0.11 1.56 -0.02 0.00 -0.13 0.00 0.00 55.73 57.26 3bzi s ARG 563 Cb -0.10 -3.52 0.46 0.00 -1.56 0.00 0.00 34.95 30.22 3bzi s ARG 563 CO 0.01 -0.35 1.97 -0.07 -0.81 0.00 0.00 175.30 176.04 3bzi h LEU 564 N 7.88 0.94 -1.41 -0.88 3.38 -1.46 -1.63 115.31 122.13 3bzi h LEU 564 Ca -0.34 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3bzi h LEU 564 Cb 1.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3bzi h LEU 564 CO 0.85 0.67 0.10 0.77 0.09 0.00 0.00 178.44 180.93 3bzi h SER 565 N 1.10 0.45 0.84 -0.43 4.64 -1.92 -1.50 113.55 116.73 3bzi h SER 565 Ca 0.31 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.48 3bzi h SER 565 Cb -0.10 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 3bzi h SER 565 CO -0.07 0.45 -0.45 -0.07 -0.87 0.00 0.00 176.83 175.82 3bzi h LEU 566 N 0.49 0.00 -0.81 5.97 3.38 -1.65 -2.77 115.31 119.93 3bzi h LEU 566 Ca 0.12 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3bzi h LEU 566 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3bzi h LEU 566 CO -0.01 0.45 -0.25 -0.07 0.09 0.00 0.00 178.44 178.64 3bzi h LEU 567 N 0.00 0.62 -0.83 1.67 3.38 -0.63 0.02 115.31 119.54 3bzi h LEU 567 Ca -0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3bzi h LEU 567 Cb 0.99 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 3bzi h LEU 567 CO 0.06 0.86 0.48 -0.33 0.09 0.00 0.00 178.44 179.60 3bzi h GLU 568 N 0.53 1.13 -0.17 1.13 5.08 -1.29 0.71 114.58 121.70 3bzi h GLU 568 Ca 0.07 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3bzi h GLU 568 Cb 0.72 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3bzi h GLU 568 CO 0.06 0.81 -0.11 0.93 -1.00 0.00 0.00 179.01 179.69 3bzi h GLU 569 N 1.14 0.37 -0.00 2.33 5.08 -1.09 -3.38 114.58 119.03 3bzi h GLU 569 Ca 0.29 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3bzi h GLU 569 Cb -0.02 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3bzi h GLU 569 CO -0.05 0.70 -0.68 0.66 -1.00 0.00 0.00 179.01 178.64 3bzi n TYR 570 N -4.58 0.00 0.00 4.33 4.02 -0.08 -5.05 117.16 115.80 3bzi n TYR 570 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 3bzi n TYR 570 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 3bzi n TYR 570 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bzi n GLY 571 N 1.34 -0.68 3.63 2.72 0.00 0.24 -0.61 105.19 111.83 3bzi n GLY 571 Ca 0.03 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 3bzi n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bzi h LYS 574 N -2.12 0.49 0.56 0.00 3.64 -1.96 -1.19 116.57 115.99 3bzi h LYS 574 Ca -0.50 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 58.76 3bzi h LYS 574 Cb 1.29 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 33.04 3bzi h LYS 574 CO 0.46 0.50 -0.27 0.93 -2.27 0.00 0.00 179.45 178.80 3bzi h GLU 575 N 0.47 -0.72 -0.37 1.90 3.07 -1.99 -0.19 114.58 116.74 3bzi h GLU 575 Ca 0.11 0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 58.88 3bzi h GLU 575 Cb 0.28 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 3bzi h GLU 575 CO 0.01 -0.48 -0.31 1.25 -1.40 0.00 0.00 179.01 178.08 3bzi h LEU 576 N -0.77 0.92 -0.74 1.33 5.85 -1.90 -2.12 115.31 117.88 3bzi h LEU 576 Ca -0.08 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.20 3bzi h LEU 576 Cb 0.58 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3bzi h LEU 576 CO 0.13 1.18 0.49 0.00 -0.34 0.00 0.00 178.44 179.90 3bzi h ALA 577 N 0.77 0.94 -0.17 1.25 0.00 -1.17 0.92 119.26 121.80 3bzi h ALA 577 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3bzi h ALA 577 Cb 0.90 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3bzi h ALA 577 CO 0.08 0.36 -0.01 1.03 0.00 0.00 0.00 179.25 180.71 3bzi h SER 578 N 1.00 0.30 -0.98 0.00 0.87 -0.92 -2.06 113.55 111.77 3bzi h SER 578 Ca 0.27 -0.33 0.18 0.00 -1.23 0.00 0.00 61.79 60.68 3bzi h SER 578 Cb -0.11 -0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 61.66 3bzi h SER 578 CO -0.06 0.56 0.58 0.03 -0.53 0.00 0.00 176.83 177.41 3bzi h ARG 579 N 0.04 0.73 -0.13 2.24 2.47 -1.05 -1.17 114.38 117.51 3bzi h ARG 579 Ca 0.05 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.63 3bzi h ARG 579 Cb 0.41 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 3bzi h ARG 579 CO 0.01 0.48 -0.35 -0.07 0.56 0.00 0.00 179.97 180.61 3bzi h LEU 580 N 0.75 0.27 -0.31 3.04 3.38 -0.53 0.13 115.31 122.04 3bzi h LEU 580 Ca 0.56 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.34 3bzi h LEU 580 Cb 0.83 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3bzi h LEU 580 CO -0.37 0.60 -0.12 0.03 0.09 0.00 0.00 178.44 178.67 3bzi h ARG 581 N 0.23 0.64 -0.22 1.13 3.08 -0.74 -2.04 114.38 116.45 3bzi h ARG 581 Ca 0.03 -0.27 0.05 0.00 0.07 0.00 0.00 59.98 59.86 3bzi h ARG 581 Cb 0.73 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 3bzi h ARG 581 CO 0.06 0.84 -0.09 -0.92 -1.07 0.00 0.00 179.97 178.79 3bzi h TYR 582 N 0.40 -0.22 -0.71 3.04 3.20 -1.01 -2.46 116.97 119.21 3bzi h TYR 582 Ca 0.07 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.09 3bzi h TYR 582 Cb 0.64 0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.95 3bzi h TYR 582 CO 0.06 -0.15 0.27 0.00 -1.64 0.00 0.00 178.16 176.70 3bzi h ALA 583 N 1.14 0.98 -0.43 1.82 0.00 -0.69 -1.20 119.26 120.87 3bzi h ALA 583 Ca 0.12 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3bzi h ALA 583 Cb 0.23 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3bzi h ALA 583 CO -0.26 -0.21 0.19 -0.09 0.00 0.00 0.00 179.25 178.88 3bzi h ARG 584 N 0.43 0.38 -0.90 0.00 1.12 -0.94 0.13 114.38 114.59 3bzi h ARG 584 Ca 0.38 -0.02 0.06 0.00 -1.11 0.00 0.00 59.98 59.29 3bzi h ARG 584 Cb 0.55 -0.09 -0.06 0.00 -0.01 0.00 0.00 29.97 30.37 3bzi h ARG 584 CO -0.38 0.25 0.57 1.15 -3.11 0.00 0.00 179.97 178.44 3bzi h THR 585 N 0.39 1.06 -0.04 0.20 2.02 -0.91 -1.55 112.91 114.07 3bzi h THR 585 Ca 0.19 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 3bzi h THR 585 Cb 0.13 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 3bzi h THR 585 CO -0.16 0.19 -0.56 0.24 0.37 0.00 0.00 175.52 175.60 3bzi h MET 586 N 1.03 0.13 -0.26 6.66 2.86 -0.08 -2.02 114.93 123.25 3bzi h MET 586 Ca 0.39 -0.08 -0.17 0.00 -2.06 0.00 0.00 59.70 57.78 3bzi h MET 586 Cb 0.16 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 3bzi h MET 586 CO -0.17 0.66 -0.51 0.28 1.06 0.00 0.00 176.91 178.22 3bzi h VAL 587 N 0.10 1.29 -0.50 -2.22 2.07 -0.59 -0.48 116.25 115.92 3bzi h VAL 587 Ca -0.00 -1.72 0.07 0.00 0.82 0.00 0.00 66.70 65.87 3bzi h VAL 587 Cb 1.02 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 32.37 3bzi h VAL 587 CO 0.08 0.55 0.17 0.44 0.02 0.00 0.00 177.57 178.84 3bzi h ASP 588 N 0.58 0.17 -0.58 0.57 3.32 -1.14 0.03 116.42 119.38 3bzi h ASP 588 Ca 0.02 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.18 3bzi h ASP 588 Cb 1.09 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 3bzi h ASP 588 CO 0.11 0.12 0.32 0.11 -1.72 0.00 0.00 179.24 178.18 3bzi h LYS 589 N 0.35 0.60 -0.42 3.56 1.57 -1.02 -2.22 116.57 118.98 3bzi h LYS 589 Ca 0.24 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3bzi h LYS 589 Cb 0.27 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3bzi h LYS 589 CO -0.25 0.39 0.26 -0.07 -0.57 0.00 0.00 179.45 179.22 3bzi h LEU 590 N 0.61 0.45 -0.50 2.94 3.38 -0.23 -3.17 115.31 118.79 3bzi h LEU 590 Ca 0.25 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3bzi h LEU 590 Cb 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3bzi h LEU 590 CO -0.15 0.32 0.27 -0.07 0.09 0.00 0.00 178.44 178.90 3bzi h LEU 591 N 0.54 0.63 0.00 1.67 3.38 -0.91 -3.29 115.31 117.33 3bzi h LEU 591 Ca 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3bzi h LEU 591 Cb -0.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3bzi h LEU 591 CO -0.05 0.54 0.00 -1.54 0.09 0.00 0.00 178.44 177.48 3bzi n SER 592 N -4.65 0.00 0.00 -0.43 3.41 -0.85 -5.03 113.62 106.08 3bzi n SER 592 Ca 0.02 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 3bzi n SER 592 Cb 0.09 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 3bzi n SER 592 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68