#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hik h HIS 373 N 0.09 0.06 -0.36 0.00 3.86 -1.99 0.50 115.15 117.33 3hik h HIS 373 Ca -0.02 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.08 3hik h HIS 373 Cb 1.28 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.76 3hik h HIS 373 CO 0.02 -0.01 -0.31 -0.07 0.86 0.00 0.00 177.93 178.41 3hik h LEU 374 N 0.15 0.89 -0.43 2.43 3.38 -1.87 -0.91 115.31 118.95 3hik h LEU 374 Ca 0.17 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3hik h LEU 374 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hik h LEU 374 CO -0.24 1.16 0.22 0.28 0.09 0.00 0.00 178.44 179.94 3hik h SER 375 N 0.63 0.56 -0.37 -0.43 0.02 -1.03 0.11 113.55 113.05 3hik h SER 375 Ca 0.06 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3hik h SER 375 Cb 0.89 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 3hik h SER 375 CO 0.08 0.52 0.15 0.44 -1.14 0.00 0.00 176.83 176.88 3hik h ASP 376 N 0.56 0.19 -0.76 3.07 3.32 0.07 -2.69 116.42 120.19 3hik h ASP 376 Ca 0.15 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3hik h ASP 376 Cb 0.10 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 3hik h ASP 376 CO -0.02 0.15 0.38 -0.03 -1.72 0.00 0.00 179.24 178.00 3hik h MET 377 N 0.32 1.10 -0.82 3.56 4.05 -0.67 -1.24 114.93 121.23 3hik h MET 377 Ca 0.16 -0.15 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 3hik h MET 377 Cb 0.11 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 30.67 3hik h MET 377 CO -0.15 0.84 0.54 1.25 0.23 0.00 0.00 176.91 179.62 3hik h LEU 378 N 1.09 0.95 -0.52 3.39 5.85 -0.60 -1.03 115.31 124.44 3hik h LEU 378 Ca 0.27 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.81 3hik h LEU 378 Cb 0.09 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3hik h LEU 378 CO -0.04 0.69 -0.34 -0.61 -0.34 0.00 0.00 178.44 177.81 3hik h GLN 379 N 1.12 0.84 -0.61 1.25 5.75 -1.08 0.73 115.11 123.10 3hik h GLN 379 Ca 0.30 -0.41 -0.05 0.00 -0.15 0.00 0.00 58.65 58.35 3hik h GLN 379 Cb -0.12 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 3hik h GLN 379 CO -0.06 1.05 0.20 1.96 -2.65 0.00 0.00 178.83 179.32 3hik h GLN 380 N 0.70 0.94 -0.43 1.69 4.20 -1.05 0.48 115.11 121.64 3hik h GLN 380 Ca 0.07 -0.20 -0.14 0.00 0.06 0.00 0.00 58.65 58.44 3hik h GLN 380 Cb 0.90 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 3hik h GLN 380 CO 0.08 0.83 -0.29 -0.07 -0.67 0.00 0.00 178.83 178.70 3hik h LEU 381 N 0.86 0.98 -0.54 1.46 3.38 -1.01 -2.58 115.31 117.86 3hik h LEU 381 Ca 0.20 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 3hik h LEU 381 Cb 0.27 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3hik h LEU 381 CO -0.01 1.19 0.02 -0.74 0.09 0.00 0.00 178.44 178.99 3hik h HIS 382 N 0.79 1.02 -0.29 1.13 2.76 -0.35 -0.57 115.15 119.64 3hik h HIS 382 Ca 0.09 -0.17 0.01 0.00 -2.20 0.00 0.00 60.37 58.09 3hik h HIS 382 Cb 0.87 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 3hik h HIS 382 CO 0.05 0.93 0.18 0.77 -1.30 0.00 0.00 177.93 178.57 3hik h SER 383 N 0.82 0.30 0.16 3.26 0.02 -0.85 0.14 113.55 117.41 3hik h SER 383 Ca 0.16 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3hik h SER 383 Cb 0.51 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 3hik h SER 383 CO 0.02 0.22 -0.17 0.58 -1.14 0.00 0.00 176.83 176.34 3hik h VAL 384 N 0.37 0.61 -0.31 2.27 2.07 -1.31 -3.00 116.25 116.95 3hik h VAL 384 Ca 0.11 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 3hik h VAL 384 Cb -0.02 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3hik h VAL 384 CO -0.04 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.33 3hik h ASN 385 N -0.37 0.44 0.52 0.57 2.35 -0.70 -1.69 115.58 116.70 3hik h ASN 385 Ca 0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3hik h ASN 385 Cb 0.36 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3hik h ASN 385 CO -0.06 0.51 0.00 0.00 -1.65 0.00 0.00 177.43 176.24 3hik n ALA 386 N -2.48 2.00 1.12 -0.83 0.00 0.47 -2.16 120.51 118.63 3hik n ALA 386 Ca 0.01 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.49 3hik n ALA 386 Cb 0.23 -1.33 0.18 0.00 0.00 0.00 0.00 19.45 18.53 3hik n ALA 386 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hik n SER 387 N -1.39 2.00 -3.59 0.00 3.41 -0.64 -4.99 113.62 108.43 3hik n SER 387 Ca 0.07 -1.51 -0.19 0.00 -0.26 0.00 0.00 58.87 56.98 3hik n SER 387 Cb 0.20 0.21 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 3hik n SER 387 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hik n LYS 388 N 0.24 -1.38 0.26 4.33 4.76 -0.92 -4.86 118.16 120.58 3hik n LYS 388 Ca 0.12 0.90 0.16 0.00 -2.87 0.00 0.00 58.31 56.62 3hik n LYS 388 Cb 0.46 -3.46 0.53 0.00 -1.84 0.00 0.00 35.03 30.72 3hik n LYS 388 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3hik h PRO 389 N -0.35 0.00 -0.20 1.97 0.13 -1.82 -2.38 132.00 129.35 3hik h PRO 389 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hik h PRO 389 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3hik h PRO 389 CO 0.37 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 177.02 3hik n SER 390 N -3.10 1.52 -0.79 1.44 3.41 -1.23 -1.89 113.62 112.98 3hik n SER 390 Ca 0.02 -1.78 0.08 0.00 -0.26 0.00 0.00 58.87 56.93 3hik n SER 390 Cb 0.38 -0.13 0.24 0.00 -0.26 0.00 0.00 64.21 64.43 3hik n SER 390 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hik n GLU 391 N 0.25 2.56 -2.50 4.33 1.02 -0.89 -4.87 120.64 120.53 3hik n GLU 391 Ca 0.14 -2.84 -0.37 0.00 -0.02 0.00 0.00 57.16 54.07 3hik n GLU 391 Cb 0.28 -1.79 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 3hik n GLU 391 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3hik s ARG 392 N -2.88 4.20 0.10 3.49 1.81 -1.25 -4.96 118.95 119.45 3hik s ARG 392 Ca 0.41 1.59 -0.29 0.00 -1.72 0.00 0.00 55.73 55.72 3hik s ARG 392 Cb 0.34 -2.63 -0.13 0.00 -0.45 0.00 0.00 34.95 32.08 3hik s ARG 392 CO 0.07 -0.13 1.64 0.78 -0.68 0.00 0.00 175.30 176.98 3hik h GLY 393 N 2.66 -0.62 -7.67 -3.53 0.00 -1.96 -3.37 103.07 88.59 3hik h GLY 393 Ca -0.48 0.31 -0.70 0.00 0.00 0.00 0.00 47.33 46.46 3hik h GLY 393 CO 0.63 -0.25 -0.61 -2.27 0.00 0.00 0.00 176.54 174.05 3hik s LEU 394 N -10.20 4.31 -0.20 3.11 2.96 -1.26 -5.10 118.68 112.30 3hik s LEU 394 Ca -0.16 -1.12 -0.25 0.00 -0.22 0.00 0.00 54.13 52.38 3hik s LEU 394 Cb 0.06 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3hik s LEU 394 CO 0.64 -0.32 0.83 -0.69 -1.32 0.00 0.00 176.35 175.48 3hik s VAL 395 N 1.41 4.86 -0.60 1.68 1.01 -1.26 -4.88 120.40 122.62 3hik s VAL 395 Ca -0.01 1.60 0.04 0.00 0.00 0.00 0.00 61.98 63.60 3hik s VAL 395 Cb -0.19 -4.12 0.36 0.00 0.00 0.00 0.00 36.38 32.42 3hik s VAL 395 CO 0.03 -0.02 1.16 0.54 0.00 0.00 0.00 175.10 176.81 3hik n ARG 396 N 5.57 3.51 -0.24 2.72 1.74 0.09 -4.92 116.66 125.13 3hik n ARG 396 Ca 0.05 -4.65 0.04 0.00 -0.77 0.00 0.00 57.85 52.52 3hik n ARG 396 Cb 0.48 -2.27 0.15 0.00 -1.02 0.00 0.00 32.46 29.80 3hik n ARG 396 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3hik h GLN 397 N 2.98 0.16 -1.11 5.56 4.15 -1.74 0.26 115.11 125.37 3hik h GLN 397 Ca 0.25 -0.01 0.31 0.00 0.77 0.00 0.00 58.65 59.97 3hik h GLN 397 Cb 0.58 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.17 3hik h GLN 397 CO 0.91 0.10 0.77 1.05 -1.93 0.00 0.00 178.83 179.73 3hik h GLU 398 N 0.16 0.15 0.00 1.69 9.09 -1.91 0.12 114.58 123.88 3hik h GLU 398 Ca 0.39 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.79 3hik h GLU 398 Cb 0.66 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.73 3hik h GLU 398 CO -0.57 0.10 0.00 0.39 0.05 0.00 0.00 179.01 178.98 3hik n GLU 399 N -4.37 0.13 0.00 1.06 -0.58 0.93 -2.76 120.64 115.04 3hik n GLU 399 Ca 0.25 0.29 0.12 0.00 -0.42 0.00 0.00 57.16 57.40 3hik n GLU 399 Cb 1.09 -1.72 0.23 0.00 -0.57 0.00 0.00 31.44 30.47 3hik n GLU 399 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hik n ALA 400 N -1.67 3.57 -1.73 0.62 0.00 0.41 -4.92 120.51 116.79 3hik n ALA 400 Ca 0.04 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 3hik n ALA 400 Cb 0.26 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 3hik n ALA 400 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hik n GLU 401 N -1.26 2.71 -3.53 0.00 1.02 -1.11 -1.56 120.64 116.91 3hik n GLU 401 Ca 0.07 0.97 -0.23 0.00 -0.02 0.00 0.00 57.16 57.94 3hik n GLU 401 Cb 0.34 -2.78 -0.14 0.00 -0.02 0.00 0.00 31.44 28.84 3hik n GLU 401 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hik s ASP 402 N 0.79 2.34 0.55 1.62 -1.08 0.48 -4.85 116.67 116.52 3hik s ASP 402 Ca 0.69 -0.73 0.33 0.00 -0.52 0.00 0.00 52.55 52.32 3hik s ASP 402 Cb -0.51 0.01 1.55 0.00 -1.46 0.00 0.00 42.92 42.51 3hik s ASP 402 CO 0.41 -0.38 2.07 -0.65 0.52 0.00 0.00 175.17 177.14 3hik h PRO 403 N 8.36 0.00 0.00 4.34 0.11 -1.96 -2.21 132.00 140.65 3hik h PRO 403 Ca -0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 3hik h PRO 403 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hik h PRO 403 CO 0.34 0.06 -0.03 0.00 -0.21 0.00 0.00 178.00 178.17 3hik h ALA 404 N 1.94 1.03 -0.10 -0.75 0.00 -1.95 -2.98 119.26 116.45 3hik h ALA 404 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hik h ALA 404 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hik h ALA 404 CO 0.01 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3hik n ILE 406 N 1.18 3.26 -1.80 0.00 -6.64 -1.13 -4.88 119.36 109.35 3hik n ILE 406 Ca 0.16 -0.50 -0.35 0.00 -1.77 0.00 0.00 62.75 60.29 3hik n ILE 406 Cb 0.56 -1.74 0.05 0.00 -1.44 0.00 0.00 39.64 37.08 3hik n ILE 406 CO 0.00 0.00 0.00 -2.84 -1.77 0.00 0.00 176.55 171.94 3hik s PRO 407 N -2.63 2.70 0.09 6.28 0.02 -1.26 -3.92 135.00 136.28 3hik s PRO 407 Ca 0.66 1.74 -0.07 0.00 0.02 0.00 0.00 61.00 63.35 3hik s PRO 407 Cb -0.44 -1.90 -0.21 0.00 0.02 0.00 0.00 34.50 31.97 3hik s PRO 407 CO 0.54 -1.40 1.19 0.82 -0.33 0.00 0.00 177.00 177.82 3hik h ILE 408 N 0.40 1.40 -3.85 2.83 2.04 -1.90 -2.60 117.51 115.84 3hik h ILE 408 Ca -0.49 -2.67 -0.27 0.00 1.00 0.00 0.00 64.86 62.43 3hik h ILE 408 Cb 1.29 2.68 -0.27 0.00 -0.74 0.00 0.00 36.82 39.78 3hik h ILE 408 CO 0.53 0.79 -0.73 -0.36 0.00 0.00 0.00 178.15 178.38 3hik s PHE 409 N -2.97 0.28 0.27 1.37 0.08 -1.26 -4.74 117.98 111.01 3hik s PHE 409 Ca -0.06 -0.13 -0.07 0.00 0.12 0.00 0.00 56.93 56.79 3hik s PHE 409 Cb 0.07 -0.18 -0.01 0.00 -0.57 0.00 0.00 43.02 42.34 3hik s PHE 409 CO 0.89 -0.03 0.42 1.67 -0.10 0.00 0.00 175.22 178.07 3hik s TRP 410 N -0.31 0.75 -0.43 0.36 -2.14 -1.26 -4.99 118.94 110.91 3hik s TRP 410 Ca -0.02 -1.04 -0.25 0.00 2.66 0.00 0.00 56.10 57.45 3hik s TRP 410 Cb -0.03 -0.03 0.02 0.00 -3.10 0.00 0.00 33.47 30.34 3hik s TRP 410 CO -0.00 -0.99 0.92 0.08 -2.66 0.00 0.00 176.95 174.29 3hik s VAL 411 N -3.68 4.52 -0.13 -0.66 1.01 -1.26 -1.07 120.40 119.13 3hik s VAL 411 Ca 0.28 0.86 0.18 0.00 0.00 0.00 0.00 61.98 63.31 3hik s VAL 411 Cb 0.01 -4.39 -0.16 0.00 0.00 0.00 0.00 36.38 31.83 3hik s VAL 411 CO 0.14 -0.73 0.71 -1.54 0.00 0.00 0.00 175.10 173.67 3hik n SER 412 N 7.02 0.64 -3.84 3.32 3.41 -0.05 -4.76 113.62 119.36 3hik n SER 412 Ca 0.06 0.27 -0.10 0.00 -0.26 0.00 0.00 58.87 58.84 3hik n SER 412 Cb 0.48 0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 64.90 3hik n SER 412 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hik s LYS 413 N -3.00 0.71 0.04 4.33 1.02 -1.15 -0.98 119.74 120.71 3hik s LYS 413 Ca -0.04 -0.63 -0.20 0.00 0.02 0.00 0.00 55.97 55.11 3hik s LYS 413 Cb 0.09 0.30 0.04 0.00 -0.52 0.00 0.00 37.83 37.74 3hik s LYS 413 CO 0.82 -0.21 0.46 1.67 -0.92 0.00 0.00 175.35 177.17 3hik s TRP 414 N -2.64 -0.33 -0.06 3.18 1.48 -1.26 -0.84 118.94 118.47 3hik s TRP 414 Ca -0.04 0.36 -0.02 0.00 -1.06 0.00 0.00 56.10 55.33 3hik s TRP 414 Cb -0.01 0.26 0.03 0.00 -1.16 0.00 0.00 33.47 32.60 3hik s TRP 414 CO -0.04 -0.59 0.07 0.08 -4.06 0.00 0.00 176.95 172.41 3hik s VAL 415 N -2.33 -0.12 -0.74 -0.66 1.01 0.11 -4.99 120.40 112.68 3hik s VAL 415 Ca -0.06 0.36 -0.21 0.00 0.00 0.00 0.00 61.98 62.06 3hik s VAL 415 Cb -0.01 -0.21 0.09 0.00 0.00 0.00 0.00 36.38 36.25 3hik s VAL 415 CO -0.01 0.13 1.01 -0.62 0.00 0.00 0.00 175.10 175.61 3hik s ASP 416 N 2.17 6.30 -0.45 3.32 2.15 -1.26 -1.12 116.67 127.78 3hik s ASP 416 Ca 0.05 -1.30 0.04 0.00 0.43 0.00 0.00 52.55 51.76 3hik s ASP 416 Cb -0.12 -2.41 0.49 0.00 -0.30 0.00 0.00 42.92 40.57 3hik s ASP 416 CO -0.04 -1.33 1.65 0.00 -0.17 0.00 0.00 175.17 175.28 3hik n TYR 417 N 7.39 2.59 0.51 -5.34 -0.00 -0.29 -4.77 117.16 117.25 3hik n TYR 417 Ca 0.04 -2.35 0.13 0.00 -0.00 0.00 0.00 57.90 55.72 3hik n TYR 417 Cb 0.46 -0.86 0.42 0.00 -0.00 0.00 0.00 39.34 39.36 3hik n TYR 417 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 3hik h SER 418 N 1.71 0.00 -1.02 2.98 4.64 -1.76 0.22 113.55 120.32 3hik h SER 418 Ca 0.46 0.00 0.27 0.00 -0.47 0.00 0.00 61.79 62.04 3hik h SER 418 Cb 1.44 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.46 3hik h SER 418 CO 1.03 0.00 0.68 0.44 -0.87 0.00 0.00 176.83 178.11 3hik h ASP 419 N 0.00 0.32 0.00 4.97 5.19 -1.88 -3.39 116.42 121.64 3hik h ASP 419 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3hik h ASP 419 Cb 0.65 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.16 3hik h ASP 419 CO 0.00 0.08 -0.64 0.29 -3.12 0.00 0.00 179.24 175.85 3hik n LYS 420 N -4.50 0.97 0.03 3.56 4.76 -0.70 -5.03 118.16 117.25 3hik n LYS 420 Ca 0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 3hik n LYS 420 Cb 0.91 -0.82 0.00 0.00 -1.84 0.00 0.00 35.03 33.28 3hik n LYS 420 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3hik n TYR 421 N -1.88 -0.39 -3.70 2.13 4.01 0.70 -4.94 117.16 113.10 3hik n TYR 421 Ca 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 3hik n TYR 421 Cb 0.32 0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 3hik n TYR 421 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hik n GLY 422 N 2.32 -0.57 3.23 2.72 0.00 -0.71 -0.00 105.19 112.17 3hik n GLY 422 Ca 0.00 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 3hik n GLY 422 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hik s LEU 423 N 0.00 2.56 0.11 0.99 2.96 -0.51 -1.13 118.68 123.66 3hik s LEU 423 Ca 0.00 -0.50 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 3hik s LEU 423 Cb 0.00 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 3hik s LEU 423 CO 0.00 0.00 0.10 -0.83 -1.32 0.00 0.00 176.35 174.30 3hik s GLY 424 N 1.33 1.90 0.16 7.98 0.00 -0.28 -0.89 107.32 117.52 3hik s GLY 424 Ca 0.04 -1.09 -0.15 0.00 0.00 0.00 0.00 44.72 43.52 3hik s GLY 424 CO -0.07 -1.08 0.43 -2.52 0.00 0.00 0.00 173.10 169.86 3hik s TYR 425 N -1.53 -0.06 -0.05 1.90 -0.85 -0.19 -0.71 117.35 115.85 3hik s TYR 425 Ca 0.30 -0.28 0.06 0.00 -0.52 0.00 0.00 57.07 56.63 3hik s TYR 425 Cb -0.11 0.25 -0.01 0.00 0.38 0.00 0.00 41.96 42.47 3hik s TYR 425 CO 0.23 -0.79 -0.23 -1.14 -1.52 0.00 0.00 175.55 172.10 3hik s GLN 426 N -3.86 2.23 0.34 -3.49 0.74 -0.02 -1.01 119.66 114.58 3hik s GLN 426 Ca 0.08 -0.81 -0.03 0.00 0.05 0.00 0.00 55.36 54.65 3hik s GLN 426 Cb 0.01 -1.94 -0.04 0.00 1.10 0.00 0.00 33.01 32.14 3hik s GLN 426 CO -0.06 0.36 0.58 -0.51 -0.55 0.00 0.00 175.29 175.11 3hik s LEU 427 N -0.18 3.99 0.45 3.68 1.43 -0.55 -0.87 118.68 126.63 3hik s LEU 427 Ca -0.01 0.62 0.29 0.00 -1.03 0.00 0.00 54.13 54.00 3hik s LEU 427 Cb -0.12 -3.48 1.60 0.00 0.03 0.00 0.00 46.19 44.22 3hik s LEU 427 CO 0.02 -0.28 1.90 0.00 0.23 0.00 0.00 176.35 178.22 3hik n ASP 429 N -2.55 0.44 0.00 0.00 5.75 -1.26 -4.92 116.55 114.00 3hik n ASP 429 Ca -0.02 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 3hik n ASP 429 Cb 0.07 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 3hik n ASP 429 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3hik n ASN 430 N -0.37 -3.61 -4.75 -1.12 5.03 0.69 -4.74 115.26 106.38 3hik n ASN 430 Ca 0.08 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.20 3hik n ASN 430 Cb 0.10 -1.91 0.06 0.00 -1.02 0.00 0.00 39.78 37.02 3hik n ASN 430 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3hik s SER 431 N -2.10 4.75 0.11 6.41 1.04 -1.25 -4.63 113.70 118.02 3hik s SER 431 Ca 0.00 2.15 0.06 0.00 0.48 0.00 0.00 55.95 58.65 3hik s SER 431 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 3hik s SER 431 CO 0.00 -1.88 -0.16 0.68 0.98 0.00 0.00 173.24 172.86 3hik s VAL 432 N -2.18 1.40 0.20 5.02 -7.23 -0.51 -1.49 120.40 115.62 3hik s VAL 432 Ca 0.70 -1.57 -0.04 0.00 -1.81 0.00 0.00 61.98 59.26 3hik s VAL 432 Cb -0.24 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 3hik s VAL 432 CO 0.42 -0.26 0.22 -0.83 -0.31 0.00 0.00 175.10 174.34 3hik s GLY 433 N -2.12 1.10 -0.01 2.32 0.00 -0.18 -0.93 107.32 107.49 3hik s GLY 433 Ca 0.06 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.37 3hik s GLY 433 CO 0.03 -1.17 -0.01 0.14 0.00 0.00 0.00 173.10 172.10 3hik s VAL 434 N -4.10 0.11 -0.43 1.40 1.01 0.44 -1.03 120.40 117.80 3hik s VAL 434 Ca 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 3hik s VAL 434 Cb 0.05 -0.14 0.10 0.00 0.00 0.00 0.00 36.38 36.40 3hik s VAL 434 CO 0.09 0.06 0.27 -0.22 0.00 0.00 0.00 175.10 175.31 3hik s LEU 435 N 0.33 5.37 0.65 3.92 2.96 -0.07 -2.38 118.68 129.47 3hik s LEU 435 Ca -0.03 -1.81 -0.13 0.00 -0.22 0.00 0.00 54.13 51.94 3hik s LEU 435 Cb -0.05 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 3hik s LEU 435 CO -0.01 -0.60 1.05 -0.36 -1.32 0.00 0.00 176.35 175.12 3hik s PHE 436 N 1.32 3.10 0.53 5.38 0.08 -0.66 -1.42 117.98 126.31 3hik s PHE 436 Ca 0.05 1.45 0.22 0.00 0.12 0.00 0.00 56.93 58.77 3hik s PHE 436 Cb -0.24 -2.91 1.37 0.00 -0.57 0.00 0.00 43.02 40.67 3hik s PHE 436 CO -0.01 -1.13 2.07 -0.91 -0.10 0.00 0.00 175.22 175.14 3hik h ASN 437 N -0.23 0.00 -0.09 1.36 2.35 -0.74 -0.58 115.58 117.65 3hik h ASN 437 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3hik h ASN 437 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3hik h ASN 437 CO 0.57 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.45 3hik n ASP 438 N -4.39 0.94 -0.34 5.81 5.68 -1.26 -4.88 116.55 118.11 3hik n ASP 438 Ca 0.04 -2.05 -0.04 0.00 -0.50 0.00 0.00 54.79 52.23 3hik n ASP 438 Cb 0.36 -0.25 -0.02 0.00 -1.14 0.00 0.00 41.12 40.07 3hik n ASP 438 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hik n SER 439 N -0.10 -4.51 -4.98 -1.12 7.64 -0.22 -4.76 113.62 105.56 3hik n SER 439 Ca 0.03 0.11 -0.20 0.00 1.01 0.00 0.00 58.87 59.82 3hik n SER 439 Cb 0.20 -2.40 0.01 0.00 -1.01 0.00 0.00 64.21 61.00 3hik n SER 439 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hik s THR 440 N -1.84 3.81 -0.00 0.44 -4.23 -1.26 -4.30 115.64 108.26 3hik s THR 440 Ca 0.00 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 3hik s THR 440 Cb 0.00 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.49 3hik s THR 440 CO 0.00 -0.19 -0.00 -0.13 -0.54 0.00 0.00 174.62 173.76 3hik s ARG 441 N -4.39 0.03 -0.02 3.99 0.52 0.00 -1.65 118.95 117.44 3hik s ARG 441 Ca 0.48 0.01 0.03 0.00 -0.52 0.00 0.00 55.73 55.73 3hik s ARG 441 Cb -0.10 -0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.30 3hik s ARG 441 CO 0.34 -0.01 -0.09 -1.17 0.02 0.00 0.00 175.30 174.39 3hik s LEU 442 N 0.14 1.85 -0.05 2.53 2.96 -1.00 -0.20 118.68 124.90 3hik s LEU 442 Ca -0.01 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3hik s LEU 442 Cb -0.02 -0.54 0.02 0.00 0.50 0.00 0.00 46.19 46.15 3hik s LEU 442 CO -0.00 0.08 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.44 3hik s ILE 443 N 0.09 0.53 -0.29 6.68 1.09 -0.47 -0.42 121.20 128.40 3hik s ILE 443 Ca -0.01 -0.09 -0.07 0.00 -1.10 0.00 0.00 60.65 59.37 3hik s ILE 443 Cb -0.07 -0.57 0.01 0.00 -1.06 0.00 0.00 42.46 40.76 3hik s ILE 443 CO 0.00 0.23 0.08 -0.22 -0.10 0.00 0.00 174.94 174.93 3hik s LEU 444 N 1.08 3.80 1.08 2.97 2.96 -0.11 -1.24 118.68 129.21 3hik s LEU 444 Ca -0.09 -0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 53.03 3hik s LEU 444 Cb -0.14 -1.88 0.24 0.00 0.50 0.00 0.00 46.19 44.91 3hik s LEU 444 CO -0.01 -0.18 1.06 -0.31 -1.32 0.00 0.00 176.35 175.60 3hik s TYR 445 N 1.50 1.48 -1.68 5.38 2.02 -0.14 -1.42 117.35 124.49 3hik s TYR 445 Ca 0.03 1.36 0.25 0.00 -0.37 0.00 0.00 57.07 58.34 3hik s TYR 445 Cb -0.17 -3.17 1.38 0.00 -0.40 0.00 0.00 41.96 39.60 3hik s TYR 445 CO 0.02 -3.50 1.86 0.27 -1.57 0.00 0.00 175.55 172.63 3hik n ASN 446 N -4.68 0.00 0.10 2.29 0.23 -1.26 -1.68 115.26 110.26 3hik n ASN 446 Ca 0.06 -0.40 0.12 0.00 -0.53 0.00 0.00 54.58 53.83 3hik n ASN 446 Cb 0.54 -0.16 0.46 0.00 -2.08 0.00 0.00 39.78 38.53 3hik n ASN 446 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3hik n ASP 447 N -1.16 0.60 0.00 0.53 5.68 -1.26 -4.92 116.55 116.01 3hik n ASP 447 Ca 0.15 0.61 0.00 0.00 -0.50 0.00 0.00 54.79 55.05 3hik n ASP 447 Cb 0.15 -0.75 0.00 0.00 -1.14 0.00 0.00 41.12 39.38 3hik n ASP 447 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hik n GLY 448 N 0.52 0.54 0.44 6.12 0.00 -0.68 -4.80 105.19 107.33 3hik n GLY 448 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3hik n GLY 448 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hik n ASP 449 N -0.13 2.19 -4.72 1.61 2.03 -1.26 -4.89 116.55 111.39 3hik n ASP 449 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 3hik n ASP 449 Cb 0.06 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.43 3hik n ASP 449 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3hik s SER 450 N -4.36 7.05 0.13 1.67 0.01 -1.26 -0.12 113.70 116.82 3hik s SER 450 Ca 0.00 2.09 0.10 0.00 1.31 0.00 0.00 55.95 59.45 3hik s SER 450 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 3hik s SER 450 CO 0.00 -0.47 -0.22 -0.76 0.41 0.00 0.00 173.24 172.20 3hik s LEU 451 N 0.83 2.51 -0.10 2.44 1.43 0.22 -0.96 118.68 125.05 3hik s LEU 451 Ca 0.58 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3hik s LEU 451 Cb -0.31 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.57 3hik s LEU 451 CO 0.31 0.17 -0.09 -1.58 0.23 0.00 0.00 176.35 175.39 3hik s GLN 452 N -2.19 1.59 -0.10 1.70 0.74 -0.37 -1.80 119.66 119.23 3hik s GLN 452 Ca 0.17 -0.31 0.02 0.00 0.05 0.00 0.00 55.36 55.29 3hik s GLN 452 Cb -0.10 -1.55 -0.02 0.00 1.10 0.00 0.00 33.01 32.44 3hik s GLN 452 CO 0.08 -0.19 -0.16 -0.47 -0.55 0.00 0.00 175.29 174.01 3hik s TYR 453 N 1.42 2.72 -0.20 1.67 5.04 -0.06 -1.37 117.35 126.56 3hik s TYR 453 Ca -0.00 -0.58 0.01 0.00 -2.44 0.00 0.00 57.07 54.06 3hik s TYR 453 Cb -0.13 -1.75 0.04 0.00 0.35 0.00 0.00 41.96 40.46 3hik s TYR 453 CO -0.05 -0.14 -0.11 0.42 -1.34 0.00 0.00 175.55 174.32 3hik s ILE 454 N 0.04 1.71 0.92 3.14 1.01 0.71 -0.87 121.20 127.87 3hik s ILE 454 Ca -0.06 -1.03 -0.13 0.00 0.00 0.00 0.00 60.65 59.43 3hik s ILE 454 Cb -0.15 -1.76 0.15 0.00 0.01 0.00 0.00 42.46 40.71 3hik s ILE 454 CO 0.05 0.20 1.17 -1.61 0.00 0.00 0.00 174.94 174.75 3hik s GLU 455 N 1.37 1.04 0.20 2.79 2.02 -0.02 -0.82 118.70 125.29 3hik s GLU 455 Ca -0.01 0.11 -0.11 0.00 0.02 0.00 0.00 54.97 54.98 3hik s GLU 455 Cb -0.16 -1.84 0.13 0.00 0.10 0.00 0.00 34.13 32.36 3hik s GLU 455 CO -0.08 -2.23 1.84 -0.09 0.02 0.00 0.00 175.26 174.71 3hik h ARG 456 N -1.52 0.95 0.00 1.61 2.43 -1.86 -1.97 114.38 114.03 3hik h ARG 456 Ca -0.48 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 3hik h ARG 456 Cb 1.31 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3hik h ARG 456 CO 0.57 0.68 0.00 -0.40 -1.51 0.00 0.00 179.97 179.31 3hik n ASP 457 N -4.54 0.00 0.00 -3.80 3.85 -1.26 -4.83 116.55 105.97 3hik n ASP 457 Ca 0.06 -0.70 0.00 0.00 -0.71 0.00 0.00 54.79 53.44 3hik n ASP 457 Cb 0.06 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 3hik n ASP 457 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hik n GLY 458 N 0.22 1.03 3.69 6.12 0.00 -0.74 -5.04 105.19 110.47 3hik n GLY 458 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 3hik n GLY 458 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hik n THR 459 N -2.00 0.13 -4.76 2.61 -1.04 -1.26 -4.66 114.28 103.29 3hik n THR 459 Ca 0.00 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.66 3hik n THR 459 Cb 0.00 -1.81 -0.15 0.00 -1.82 0.00 0.00 70.33 66.56 3hik n THR 459 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3hik s GLU 460 N 1.63 3.33 -0.01 -2.82 2.12 -1.26 -0.84 118.70 120.85 3hik s GLU 460 Ca 0.80 -0.71 0.05 0.00 0.36 0.00 0.00 54.97 55.47 3hik s GLU 460 Cb -0.59 -2.61 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 3hik s GLU 460 CO 0.37 0.17 -0.16 -1.12 -0.54 0.00 0.00 175.26 173.98 3hik s SER 461 N 0.45 1.90 -0.16 -1.70 0.01 -0.05 -4.98 113.70 109.17 3hik s SER 461 Ca -0.10 -0.31 -0.02 0.00 1.31 0.00 0.00 55.95 56.82 3hik s SER 461 Cb -0.16 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.85 3hik s SER 461 CO 0.05 0.19 -0.08 -0.31 0.41 0.00 0.00 173.24 173.50 3hik s TYR 462 N -0.42 2.92 0.37 2.43 2.02 -1.26 -0.89 117.35 122.52 3hik s TYR 462 Ca 0.06 -0.61 -0.06 0.00 -0.37 0.00 0.00 57.07 56.09 3hik s TYR 462 Cb -0.06 -1.95 0.03 0.00 -0.40 0.00 0.00 41.96 39.57 3hik s TYR 462 CO -0.00 -0.24 0.60 1.47 -1.57 0.00 0.00 175.55 175.80 3hik n LEU 463 N 3.86 0.00 -4.47 -1.29 -0.00 -0.75 -5.00 117.00 109.35 3hik n LEU 463 Ca -0.18 -2.81 -0.30 0.00 -0.00 0.00 0.00 56.01 52.71 3hik n LEU 463 Cb 0.52 3.01 -0.12 0.00 -0.00 0.00 0.00 43.42 46.83 3hik n LEU 463 CO 0.31 -0.73 -0.49 0.42 -0.00 0.00 0.00 177.39 176.90 3hik s THR 464 N -2.59 2.83 0.49 1.47 -4.23 -1.26 0.72 115.64 113.07 3hik s THR 464 Ca 0.25 -1.28 0.20 0.00 -1.18 0.00 0.00 61.69 59.68 3hik s THR 464 Cb -0.02 -2.23 0.37 0.00 1.34 0.00 0.00 72.50 71.96 3hik s THR 464 CO 0.18 0.26 1.98 0.58 -0.54 0.00 0.00 174.62 177.07 3hik h VAL 465 N 3.80 0.78 0.00 2.29 2.07 -0.86 -3.15 116.25 121.18 3hik h VAL 465 Ca -0.48 -0.06 -0.22 0.00 0.82 0.00 0.00 66.70 66.75 3hik h VAL 465 Cb 1.16 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3hik h VAL 465 CO 0.47 0.03 -1.32 0.77 0.02 0.00 0.00 177.57 177.54 3hik h SER 466 N 0.18 0.00 -4.26 0.57 4.64 -1.94 -3.42 113.55 109.32 3hik h SER 466 Ca 0.28 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.08 3hik h SER 466 Cb 0.87 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.12 3hik h SER 466 CO -0.05 0.85 0.30 -0.94 -0.87 0.00 0.00 176.83 176.12 3hik s SER 467 N -6.22 3.85 -0.69 4.97 1.04 -1.19 -5.00 113.70 110.46 3hik s SER 467 Ca -0.02 2.10 0.05 0.00 0.48 0.00 0.00 55.95 58.56 3hik s SER 467 Cb 0.09 -2.56 0.21 0.00 0.10 0.00 0.00 66.02 63.86 3hik s SER 467 CO 0.81 -2.48 0.64 1.57 0.98 0.00 0.00 173.24 174.76 3hik n HIS 468 N -3.54 3.48 -2.25 5.02 -0.00 -1.26 -4.79 115.22 111.88 3hik n HIS 468 Ca 0.11 -4.21 -0.41 0.00 0.46 0.00 0.00 57.72 53.67 3hik n HIS 468 Cb 0.52 -0.62 -0.03 0.00 -0.12 0.00 0.00 29.99 29.74 3hik n HIS 468 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3hik s PRO 469 N -1.99 3.14 0.24 1.57 0.04 -1.26 -4.92 135.00 131.82 3hik s PRO 469 Ca 0.32 0.62 -0.06 0.00 0.04 0.00 0.00 61.00 61.92 3hik s PRO 469 Cb 0.05 -4.20 0.28 0.00 0.04 0.00 0.00 34.50 30.67 3hik s PRO 469 CO -0.09 -2.12 1.89 -0.91 0.04 0.00 0.00 177.00 175.81 3hik h ASN 470 N 12.24 0.97 0.74 6.66 2.35 -2.02 -1.60 115.58 134.92 3hik h ASN 470 Ca -0.28 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3hik h ASN 470 Cb 1.12 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.27 3hik h ASN 470 CO 1.17 0.67 0.00 0.77 -1.65 0.00 0.00 177.43 178.39 3hik h SER 471 N 1.14 0.00 -0.01 5.81 4.64 -2.05 -3.04 113.55 120.03 3hik h SER 471 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3hik h SER 471 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hik h SER 471 CO -0.12 0.00 -0.32 0.18 -0.87 0.00 0.00 176.83 175.70 3hik n LEU 472 N -2.88 1.76 -0.13 5.97 4.77 -0.63 -4.59 117.00 121.26 3hik n LEU 472 Ca 0.00 -0.79 0.02 0.00 -0.03 0.00 0.00 56.01 55.21 3hik n LEU 472 Cb 0.24 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.64 3hik n LEU 472 CO 0.24 0.33 1.21 0.24 -1.33 0.00 0.00 177.39 178.08 3hik h MET 473 N 2.04 0.81 -0.50 3.23 2.86 -1.38 0.45 114.93 122.45 3hik h MET 473 Ca 0.00 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.46 3hik h MET 473 Cb 0.59 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3hik h MET 473 CO 0.00 0.53 -0.20 -0.22 1.06 0.00 0.00 176.91 178.08 3hik h LYS 474 N 0.83 1.01 -0.59 1.72 3.64 -1.81 -0.50 116.57 120.87 3hik h LYS 474 Ca 0.23 -0.42 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 3hik h LYS 474 Cb -0.08 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3hik h LYS 474 CO -0.05 1.11 -0.02 0.87 -2.27 0.00 0.00 179.45 179.08 3hik h LYS 475 N 0.87 1.06 -0.32 1.90 1.57 -1.62 -1.66 116.57 118.38 3hik h LYS 475 Ca 0.12 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3hik h LYS 475 Cb 0.78 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 3hik h LYS 475 CO 0.06 1.05 0.20 0.82 -0.57 0.00 0.00 179.45 181.01 3hik h ILE 476 N 0.95 1.10 -0.02 1.86 2.04 0.09 0.20 117.51 123.73 3hik h ILE 476 Ca 0.16 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 3hik h ILE 476 Cb 0.59 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3hik h ILE 476 CO 0.03 0.10 -0.44 0.71 0.00 0.00 0.00 178.15 178.56 3hik h THR 477 N 0.42 1.32 -0.46 -0.27 1.35 -1.03 0.02 112.91 114.26 3hik h THR 477 Ca 0.12 -1.52 -0.03 0.00 -0.55 0.00 0.00 66.41 64.42 3hik h THR 477 Cb -0.01 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 3hik h THR 477 CO -0.02 0.44 0.16 -0.07 -0.25 0.00 0.00 175.52 175.78 3hik h LEU 478 N 0.04 0.66 -0.11 3.87 4.07 -1.00 -0.20 115.31 122.64 3hik h LEU 478 Ca 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.76 3hik h LEU 478 Cb 0.79 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.36 3hik h LEU 478 CO 0.06 0.67 0.02 0.25 -1.08 0.00 0.00 178.44 178.36 3hik h LEU 479 N 0.61 0.17 -1.08 1.67 6.46 -0.34 -2.08 115.31 120.72 3hik h LEU 479 Ca 0.15 -0.25 0.18 0.00 -0.12 0.00 0.00 57.88 57.84 3hik h LEU 479 Cb 0.24 -0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 40.02 3hik h LEU 479 CO -0.01 0.38 0.61 0.11 -0.62 0.00 0.00 178.44 178.91 3hik h LYS 480 N -0.05 0.73 0.22 1.25 1.57 -0.95 0.95 116.57 120.30 3hik h LYS 480 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3hik h LYS 480 Cb 0.28 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3hik h LYS 480 CO 0.00 0.48 -0.19 -0.92 -0.57 0.00 0.00 179.45 178.25 3hik h TYR 481 N 0.75 -0.50 -0.57 -1.35 3.20 -0.69 -0.41 116.97 117.40 3hik h TYR 481 Ca 0.55 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.52 3hik h TYR 481 Cb 0.87 0.19 -0.08 0.00 1.54 0.00 0.00 36.73 39.26 3hik h TYR 481 CO -0.00 -0.29 0.16 0.74 -1.64 0.00 0.00 178.16 177.12 3hik h PHE 482 N -0.43 0.26 -0.79 -3.82 0.04 -0.66 0.84 116.94 112.38 3hik h PHE 482 Ca -0.01 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3hik h PHE 482 Cb 0.39 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 3hik h PHE 482 CO -0.13 0.02 0.38 -0.09 -0.60 0.00 0.00 178.31 177.89 3hik h ARG 483 N 0.31 1.14 -0.05 1.51 2.43 -0.60 -0.36 114.38 118.75 3hik h ARG 483 Ca 0.29 -0.17 -0.23 0.00 -0.81 0.00 0.00 59.98 59.07 3hik h ARG 483 Cb 0.39 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3hik h ARG 483 CO -0.34 0.89 -0.88 -0.91 -1.51 0.00 0.00 179.97 177.21 3hik h ASN 484 N 1.12 0.71 -0.20 -3.80 2.35 -0.81 -1.50 115.58 113.44 3hik h ASN 484 Ca 0.27 -0.52 -0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3hik h ASN 484 Cb 0.12 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3hik h ASN 484 CO -0.03 1.31 0.12 0.22 -1.65 0.00 0.00 177.43 177.40 3hik h TYR 485 N 0.35 0.26 -0.40 1.19 3.20 -0.33 -1.42 116.97 119.83 3hik h TYR 485 Ca -0.07 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.70 3hik h TYR 485 Cb 1.50 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.68 3hik h TYR 485 CO 0.07 0.20 -0.13 0.52 -1.64 0.00 0.00 178.16 177.19 3hik h MET 486 N 0.25 0.79 -0.13 1.82 2.86 -1.04 -1.74 114.93 117.74 3hik h MET 486 Ca 0.07 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.43 3hik h MET 486 Cb 0.01 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 3hik h MET 486 CO -0.01 0.94 -0.07 1.03 1.06 0.00 0.00 176.91 179.85 3hik h SER 487 N 0.61 -0.24 -0.32 1.22 0.87 -1.21 -2.03 113.55 112.45 3hik h SER 487 Ca 0.10 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 3hik h SER 487 Cb 0.66 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 3hik h SER 487 CO 0.05 -0.10 -0.13 -0.08 -0.53 0.00 0.00 176.83 176.03 3hik h GLU 488 N -0.07 0.76 0.00 2.24 4.22 -1.19 -3.41 114.58 117.13 3hik h GLU 488 Ca 0.08 -0.26 -0.10 0.00 0.08 0.00 0.00 59.36 59.16 3hik h GLU 488 Cb 0.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3hik h GLU 488 CO -0.17 0.86 -1.41 0.72 -2.18 0.00 0.00 179.01 176.83 3hik n HIS 489 N -4.15 0.00 -4.16 0.92 -0.00 -0.66 -5.07 115.22 102.10 3hik n HIS 489 Ca 0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.42 3hik n HIS 489 Cb 0.38 -0.28 -0.08 0.00 -0.00 0.00 0.00 29.99 30.00 3hik n HIS 489 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3hik s LEU 490 N -4.31 3.55 0.46 2.41 1.43 -0.77 -5.08 118.68 116.36 3hik s LEU 490 Ca -0.03 -0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 3hik s LEU 490 Cb 0.02 -2.20 -0.09 0.00 0.03 0.00 0.00 46.19 43.95 3hik s LEU 490 CO 0.26 0.20 0.93 -0.76 0.23 0.00 0.00 176.35 177.21 3hik s LEU 491 N -2.11 3.79 -0.31 1.79 1.43 -1.26 -4.83 118.68 117.18 3hik s LEU 491 Ca 0.25 1.54 -0.19 0.00 -1.03 0.00 0.00 54.13 54.69 3hik s LEU 491 Cb -0.12 -4.43 -0.01 0.00 0.03 0.00 0.00 46.19 41.66 3hik s LEU 491 CO 0.17 -0.46 0.59 -0.75 0.23 0.00 0.00 176.35 176.12 3hik s LYS 492 N -3.66 3.87 0.25 1.70 2.20 -1.26 -4.67 119.74 118.15 3hik s LYS 492 Ca 0.59 0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 56.11 3hik s LYS 492 Cb -0.10 -3.73 -0.09 0.00 -1.51 0.00 0.00 37.83 32.40 3hik s LYS 492 CO 0.24 -0.55 1.22 0.00 -0.36 0.00 0.00 175.35 175.90 3hik s ALA 493 N 2.52 3.46 -1.17 3.13 0.00 -0.15 -2.56 121.76 126.99 3hik s ALA 493 Ca 0.23 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 3hik s ALA 493 Cb -0.15 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3hik s ALA 493 CO 0.12 -0.41 0.10 0.41 0.00 0.00 0.00 175.76 175.97 3hik n GLY 494 N 1.65 -0.20 0.37 0.00 0.00 -1.26 -4.63 105.19 101.13 3hik n GLY 494 Ca 0.02 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.83 3hik n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hik h ALA 495 N 0.67 1.50 0.00 4.61 0.00 -1.92 -2.17 119.26 121.96 3hik h ALA 495 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hik h ALA 495 Cb 1.25 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hik h ALA 495 CO 0.39 0.34 0.00 0.27 0.00 0.00 0.00 179.25 180.25 3hik n ASN 496 N -4.51 0.00 -4.56 0.00 6.94 -1.26 -4.83 115.26 107.03 3hik n ASN 496 Ca 0.15 0.10 -0.34 0.00 -0.02 0.00 0.00 54.58 54.47 3hik n ASN 496 Cb 0.23 -0.32 -0.11 0.00 -2.36 0.00 0.00 39.78 37.22 3hik n ASN 496 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3hik s ILE 497 N -2.63 4.15 -0.32 1.53 1.09 -0.82 -5.09 121.20 119.12 3hik s ILE 497 Ca 0.16 -0.27 -0.24 0.00 -1.10 0.00 0.00 60.65 59.20 3hik s ILE 497 Cb 0.12 -2.81 0.00 0.00 -1.06 0.00 0.00 42.46 38.71 3hik s ILE 497 CO 0.28 0.51 0.80 -0.89 -0.10 0.00 0.00 174.94 175.54 3hik s THR 498 N 0.08 4.76 0.84 2.92 2.01 -1.26 -5.04 115.64 119.96 3hik s THR 498 Ca 0.01 1.13 -0.13 0.00 0.31 0.00 0.00 61.69 63.01 3hik s THR 498 Cb -0.13 -4.17 0.05 0.00 0.01 0.00 0.00 72.50 68.26 3hik s THR 498 CO 0.02 -0.31 0.82 -2.65 -0.69 0.00 0.00 174.62 171.82 3hik n PRO 499 N 6.29 -0.01 -1.46 4.92 -0.02 -1.26 -4.97 135.00 138.49 3hik n PRO 499 Ca 0.04 0.06 -0.31 0.00 -2.02 0.00 0.00 63.50 61.28 3hik n PRO 499 Cb 0.48 -2.13 0.08 0.00 -0.02 0.00 0.00 33.50 31.91 3hik n PRO 499 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3hik s ARG 500 N -3.75 2.37 0.01 -0.52 1.70 -0.98 -4.97 118.95 112.82 3hik s ARG 500 Ca 0.66 0.90 -0.30 0.00 -0.47 0.00 0.00 55.73 56.52 3hik s ARG 500 Cb -0.27 -1.93 -0.06 0.00 -0.57 0.00 0.00 34.95 32.12 3hik s ARG 500 CO 0.58 -1.48 1.43 -1.83 -1.08 0.00 0.00 175.30 172.91 3hik s GLU 501 N -5.03 4.27 0.03 3.89 -1.05 -1.26 -4.52 118.70 115.02 3hik s GLU 501 Ca 0.60 2.01 0.00 0.00 -0.15 0.00 0.00 54.97 57.43 3hik s GLU 501 Cb -0.15 -3.57 -0.04 0.00 -0.44 0.00 0.00 34.13 29.93 3hik s GLU 501 CO 0.55 -0.59 0.11 0.20 0.95 0.00 0.00 175.26 176.48 3hik s GLY 502 N 1.92 2.05 0.25 -3.83 0.00 -1.26 -5.02 107.32 101.44 3hik s GLY 502 Ca 0.65 -0.90 -0.29 0.00 0.00 0.00 0.00 44.72 44.18 3hik s GLY 502 CO 0.27 -0.82 0.90 1.22 0.00 0.00 0.00 173.10 174.67 3hik n ASP 503 N 0.84 0.61 -0.25 1.64 9.92 -1.26 -4.87 116.55 123.17 3hik n ASP 503 Ca -0.10 1.16 0.04 0.00 -0.53 0.00 0.00 54.79 55.36 3hik n ASP 503 Cb 0.52 -1.18 0.17 0.00 -0.64 0.00 0.00 41.12 39.99 3hik n ASP 503 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 3hik h GLU 504 N 1.90 0.43 -0.67 -1.24 9.09 -2.05 -2.30 114.58 119.74 3hik h GLU 504 Ca -0.37 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.01 3hik h GLU 504 Cb 1.37 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 3hik h GLU 504 CO 0.61 0.28 0.00 1.28 0.05 0.00 0.00 179.01 181.23 3hik n LEU 505 N -5.00 3.80 -4.75 3.06 4.77 -1.26 -5.00 117.00 112.61 3hik n LEU 505 Ca 0.13 -2.00 -0.35 0.00 -0.03 0.00 0.00 56.01 53.77 3hik n LEU 505 Cb 0.39 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 3hik n LEU 505 CO 0.19 0.95 0.79 0.00 -1.33 0.00 0.00 177.39 177.99 3hik s ALA 506 N -1.01 2.45 0.31 -1.18 0.00 -0.87 -5.03 121.76 116.43 3hik s ALA 506 Ca 0.45 0.81 -0.08 0.00 0.00 0.00 0.00 51.96 53.14 3hik s ALA 506 Cb 0.23 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.89 3hik s ALA 506 CO 0.30 -1.30 0.63 1.03 0.00 0.00 0.00 175.76 176.42 3hik s ARG 507 N -3.68 3.74 0.10 0.00 0.52 -1.26 -5.03 118.95 113.34 3hik s ARG 507 Ca 0.73 0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 55.88 3hik s ARG 507 Cb -0.26 -2.56 -0.06 0.00 0.52 0.00 0.00 34.95 32.59 3hik s ARG 507 CO 0.37 0.16 1.19 -1.17 0.02 0.00 0.00 175.30 175.87 3hik s LEU 508 N -3.43 4.40 0.58 2.53 2.96 -1.26 -5.02 118.68 119.44 3hik s LEU 508 Ca 0.47 2.07 -0.17 0.00 -0.22 0.00 0.00 54.13 56.29 3hik s LEU 508 Cb -0.11 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 3hik s LEU 508 CO 0.28 -0.42 1.07 -2.16 -1.32 0.00 0.00 176.35 173.79 3hik s PRO 509 N 0.64 3.35 0.43 0.98 0.04 -1.26 -5.03 135.00 134.14 3hik s PRO 509 Ca 0.57 1.30 0.06 0.00 0.04 0.00 0.00 61.00 62.96 3hik s PRO 509 Cb -0.30 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 3hik s PRO 509 CO 0.31 -0.80 0.01 1.52 0.04 0.00 0.00 177.00 178.08 3hik s TYR 510 N -2.28 2.38 -0.46 0.56 -0.85 -1.26 -4.90 117.35 110.54 3hik s TYR 510 Ca 0.66 -0.73 -0.29 0.00 -0.52 0.00 0.00 57.07 56.19 3hik s TYR 510 Cb -0.17 -1.74 0.03 0.00 0.38 0.00 0.00 41.96 40.46 3hik s TYR 510 CO 0.33 0.40 1.13 -1.17 -1.52 0.00 0.00 175.55 174.72 3hik s LEU 511 N -3.74 3.68 -0.07 -3.49 2.96 -1.26 -0.28 118.68 116.47 3hik s LEU 511 Ca 0.29 0.52 -0.26 0.00 -0.22 0.00 0.00 54.13 54.46 3hik s LEU 511 Cb 0.08 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 43.02 3hik s LEU 511 CO 0.15 -1.21 1.00 -0.09 -1.32 0.00 0.00 176.35 174.88 3hik h ARG 512 N 9.10 -0.03 -3.41 1.98 2.43 -0.86 -3.47 114.38 120.12 3hik h ARG 512 Ca -0.23 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.88 3hik h ARG 512 Cb 1.06 0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 30.48 3hik h ARG 512 CO 1.12 0.62 -0.16 0.99 -1.51 0.00 0.00 179.97 181.03 3hik s THR 513 N -3.34 0.08 0.11 0.20 2.01 -1.07 -5.03 115.64 108.61 3hik s THR 513 Ca -0.16 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.00 3hik s THR 513 Cb -0.00 -1.14 0.03 0.00 0.01 0.00 0.00 72.50 71.40 3hik s THR 513 CO 0.64 -0.38 0.37 -1.66 -0.69 0.00 0.00 174.62 172.90 3hik s TRP 514 N -3.44 -0.17 0.19 4.92 1.48 -1.26 -0.39 118.94 120.27 3hik s TRP 514 Ca 0.01 -0.12 -0.23 0.00 -1.06 0.00 0.00 56.10 54.70 3hik s TRP 514 Cb 0.02 0.21 0.05 0.00 -1.16 0.00 0.00 33.47 32.59 3hik s TRP 514 CO -0.09 -0.66 0.74 -0.59 -4.06 0.00 0.00 176.95 172.29 3hik s PHE 515 N -3.59 -0.31 0.16 1.66 -0.12 -0.71 -5.01 117.98 110.06 3hik s PHE 515 Ca 0.02 -0.00 0.11 0.00 -0.05 0.00 0.00 56.93 57.00 3hik s PHE 515 Cb 0.02 0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 43.00 3hik s PHE 515 CO -0.10 -0.97 -0.24 -0.98 -0.05 0.00 0.00 175.22 172.88 3hik s ARG 516 N -3.67 1.41 0.39 1.99 1.70 -1.26 -0.36 118.95 119.15 3hik s ARG 516 Ca 0.07 -1.42 0.00 0.00 -0.47 0.00 0.00 55.73 53.91 3hik s ARG 516 Cb -0.03 -1.75 0.00 0.00 -0.57 0.00 0.00 34.95 32.61 3hik s ARG 516 CO -0.02 0.39 0.01 0.25 -1.08 0.00 0.00 175.30 174.85 3hik n THR 517 N 0.53 0.00 0.38 4.99 -2.24 -0.03 -5.00 114.28 112.91 3hik n THR 517 Ca -0.15 -1.84 0.13 0.00 -2.27 0.00 0.00 64.05 59.92 3hik n THR 517 Cb 0.55 0.34 0.52 0.00 -2.10 0.00 0.00 70.33 69.65 3hik n THR 517 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3hik h ARG 518 N 0.00 0.00 0.00 -0.78 -0.00 -2.03 -3.28 114.38 108.29 3hik h ARG 518 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.66 3hik h ARG 518 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.95 3hik h ARG 518 CO 0.53 0.00 -0.97 -1.13 -0.00 0.00 0.00 179.97 178.40 3hik n SER 519 N -2.38 2.04 -3.83 0.08 3.41 -1.26 -4.96 113.62 106.72 3hik n SER 519 Ca 0.02 -0.27 -0.09 0.00 -0.26 0.00 0.00 58.87 58.26 3hik n SER 519 Cb 0.24 1.22 -0.05 0.00 -0.26 0.00 0.00 64.21 65.37 3hik n SER 519 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hik s ALA 520 N -2.24 -0.65 -0.09 7.33 0.00 -1.24 -1.30 121.76 123.58 3hik s ALA 520 Ca -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3hik s ALA 520 Cb 0.06 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 3hik s ALA 520 CO 0.33 -0.78 -0.10 -1.50 0.00 0.00 0.00 175.76 173.70 3hik s ILE 521 N -3.91 3.37 -0.19 0.00 2.07 -0.70 -0.85 121.20 120.99 3hik s ILE 521 Ca 0.13 -0.59 -0.02 0.00 -1.41 0.00 0.00 60.65 58.76 3hik s ILE 521 Cb -0.00 -2.38 -0.01 0.00 0.13 0.00 0.00 42.46 40.20 3hik s ILE 521 CO -0.00 0.57 -0.08 -0.63 -1.91 0.00 0.00 174.94 172.89 3hik s ILE 522 N -0.40 3.25 -0.18 2.00 1.09 0.51 -1.32 121.20 126.16 3hik s ILE 522 Ca 0.05 -0.56 0.01 0.00 -1.10 0.00 0.00 60.65 59.06 3hik s ILE 522 Cb -0.12 -2.44 0.02 0.00 -1.06 0.00 0.00 42.46 38.86 3hik s ILE 522 CO 0.02 0.47 -0.20 -0.76 -0.10 0.00 0.00 174.94 174.37 3hik s LEU 523 N 1.05 2.11 -0.29 2.97 1.43 0.10 -1.74 118.68 124.30 3hik s LEU 523 Ca 0.00 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 52.41 3hik s LEU 523 Cb -0.15 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.63 3hik s LEU 523 CO -0.01 0.00 0.06 -2.28 0.23 0.00 0.00 176.35 174.35 3hik s HIS 524 N 1.26 3.15 0.38 0.29 2.46 0.48 -0.61 115.29 122.70 3hik s HIS 524 Ca 0.04 -1.14 -0.03 0.00 0.47 0.00 0.00 55.06 54.39 3hik s HIS 524 Cb -0.13 -2.22 -0.04 0.00 -0.13 0.00 0.00 32.58 30.06 3hik s HIS 524 CO -0.12 -0.62 0.65 -0.51 -2.47 0.00 0.00 174.74 171.67 3hik s LEU 525 N 1.45 3.88 0.20 8.88 1.43 0.20 -0.19 118.68 134.53 3hik s LEU 525 Ca 0.02 0.72 0.21 0.00 -1.03 0.00 0.00 54.13 54.05 3hik s LEU 525 Cb -0.17 -3.61 0.89 0.00 0.03 0.00 0.00 46.19 43.33 3hik s LEU 525 CO 0.01 -0.38 1.64 -1.54 0.23 0.00 0.00 176.35 176.32 3hik n SER 526 N -1.73 0.50 -0.33 2.29 3.41 0.61 -1.52 113.62 116.86 3hik n SER 526 Ca -0.02 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.31 3hik n SER 526 Cb 0.55 -0.73 0.38 0.00 -0.26 0.00 0.00 64.21 64.15 3hik n SER 526 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hik n ASN 527 N -2.06 0.97 0.00 4.04 2.04 -1.26 -4.90 115.26 114.09 3hik n ASN 527 Ca 0.02 -1.67 0.00 0.00 -0.44 0.00 0.00 54.58 52.50 3hik n ASN 527 Cb 0.21 -0.07 0.00 0.00 -2.53 0.00 0.00 39.78 37.38 3hik n ASN 527 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3hik n GLY 528 N 0.95 1.02 3.76 4.83 0.00 -0.58 -4.90 105.19 110.28 3hik n GLY 528 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3hik n GLY 528 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hik s SER 529 N -2.83 5.75 -0.09 1.61 0.01 -1.25 -4.35 113.70 112.54 3hik s SER 529 Ca 0.00 2.40 0.01 0.00 1.31 0.00 0.00 55.95 59.67 3hik s SER 529 Cb 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.64 3hik s SER 529 CO 0.00 -1.21 -0.13 -0.69 0.41 0.00 0.00 173.24 171.62 3hik s VAL 530 N -1.53 1.28 -0.07 3.43 1.01 -0.32 -0.63 120.40 123.58 3hik s VAL 530 Ca 0.69 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.19 3hik s VAL 530 Cb -0.31 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3hik s VAL 530 CO 0.36 0.40 -0.20 -1.58 0.00 0.00 0.00 175.10 174.08 3hik s GLN 531 N 1.01 2.66 -0.20 2.72 0.74 0.22 0.17 119.66 126.99 3hik s GLN 531 Ca -0.07 -0.81 -0.00 0.00 0.05 0.00 0.00 55.36 54.52 3hik s GLN 531 Cb -0.15 -2.30 0.05 0.00 1.10 0.00 0.00 33.01 31.72 3hik s GLN 531 CO -0.01 0.43 -0.04 0.42 -0.55 0.00 0.00 175.29 175.54 3hik s ILE 532 N -0.25 1.19 -0.34 -2.34 1.01 0.33 0.01 121.20 120.81 3hik s ILE 532 Ca -0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 3hik s ILE 532 Cb -0.13 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 3hik s ILE 532 CO 0.03 -0.02 0.27 0.20 0.00 0.00 0.00 174.94 175.43 3hik s ASN 533 N 1.57 6.09 -0.18 3.58 0.02 -0.43 -1.20 114.94 124.39 3hik s ASN 533 Ca -0.02 -0.37 -0.28 0.00 -1.02 0.00 0.00 52.86 51.17 3hik s ASN 533 Cb -0.17 -2.15 -0.00 0.00 0.02 0.00 0.00 41.25 38.94 3hik s ASN 533 CO -0.07 -0.26 0.98 -0.36 0.02 0.00 0.00 177.10 177.41 3hik s PHE 534 N 1.80 3.41 0.09 2.20 0.08 -0.00 -1.72 117.98 123.85 3hik s PHE 534 Ca 0.08 1.45 -0.17 0.00 0.12 0.00 0.00 56.93 58.41 3hik s PHE 534 Cb -0.17 -3.18 -0.07 0.00 -0.57 0.00 0.00 43.02 39.03 3hik s PHE 534 CO 0.11 -0.35 1.51 0.74 -0.10 0.00 0.00 175.22 177.14 3hik h PHE 535 N 7.32 0.58 -0.47 0.36 0.04 -1.50 -2.64 116.94 120.63 3hik h PHE 535 Ca -0.25 -0.11 -0.11 0.00 2.80 0.00 0.00 57.97 60.30 3hik h PHE 535 Cb 1.10 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 3hik h PHE 535 CO 0.73 0.69 -0.13 1.96 -0.60 0.00 0.00 178.31 180.97 3hik h GLN 536 N 0.30 0.91 -0.04 1.51 4.20 -1.93 -3.32 115.11 116.75 3hik h GLN 536 Ca 0.08 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.43 3hik h GLN 536 Cb 0.48 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3hik h GLN 536 CO 0.02 1.01 0.00 -0.40 -0.67 0.00 0.00 178.83 178.79 3hik n ASP 537 N -4.22 1.90 -0.62 1.46 5.68 -1.26 -5.00 116.55 114.49 3hik n ASP 537 Ca 0.00 -1.79 -0.08 0.00 -0.50 0.00 0.00 54.79 52.42 3hik n ASP 537 Cb 0.40 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.32 3hik n ASP 537 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3hik n HIS 538 N -0.26 0.00 -2.55 2.11 8.25 -1.00 -4.51 115.22 117.25 3hik n HIS 538 Ca 0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.17 3hik n HIS 538 Cb 0.22 -1.96 -0.02 0.00 1.12 0.00 0.00 29.99 29.35 3hik n HIS 538 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3hik s THR 539 N -2.05 4.74 -0.08 1.59 -4.23 -1.24 -4.80 115.64 109.57 3hik s THR 539 Ca 0.00 0.72 -0.09 0.00 -1.18 0.00 0.00 61.69 61.14 3hik s THR 539 Cb 0.00 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 70.09 3hik s THR 539 CO 0.00 -0.72 0.25 -0.54 -0.54 0.00 0.00 174.62 173.07 3hik s LYS 540 N -4.28 0.35 -0.00 3.99 1.02 -0.55 -0.82 119.74 119.45 3hik s LYS 540 Ca 0.53 0.22 0.05 0.00 0.02 0.00 0.00 55.97 56.79 3hik s LYS 540 Cb -0.10 0.17 -0.03 0.00 -0.52 0.00 0.00 37.83 37.34 3hik s LYS 540 CO 0.37 -0.06 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.08 3hik s LEU 541 N -0.17 2.70 -0.23 3.17 1.43 -0.34 -0.48 118.68 124.77 3hik s LEU 541 Ca -0.03 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3hik s LEU 541 Cb -0.03 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.68 3hik s LEU 541 CO 0.01 0.30 -0.07 -0.63 0.23 0.00 0.00 176.35 176.19 3hik s ILE 542 N -0.84 1.59 -0.19 -0.59 1.01 -0.08 -0.51 121.20 121.59 3hik s ILE 542 Ca 0.13 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.52 3hik s ILE 542 Cb -0.11 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3hik s ILE 542 CO 0.03 -0.04 0.05 -0.76 0.00 0.00 0.00 174.94 174.23 3hik s LEU 543 N 1.38 3.71 -0.19 2.97 1.43 0.13 -0.67 118.68 127.43 3hik s LEU 543 Ca -0.05 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3hik s LEU 543 Cb -0.18 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.13 3hik s LEU 543 CO -0.06 0.15 -0.16 0.00 0.23 0.00 0.00 176.35 176.51 3hik h PRO 545 N 7.95 0.00 0.15 0.00 0.13 -1.85 0.40 132.00 138.78 3hik h PRO 545 Ca -0.37 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.54 3hik h PRO 545 Cb 1.12 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.27 3hik h PRO 545 CO 0.56 0.00 -0.96 -0.07 -0.23 0.00 0.00 178.00 177.29 3hik h LEU 546 N 0.00 0.59 0.00 1.56 3.38 -1.92 -3.19 115.31 115.73 3hik h LEU 546 Ca 0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 3hik h LEU 546 Cb 0.47 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hik h LEU 546 CO 0.00 1.46 -0.28 0.23 0.09 0.00 0.00 178.44 179.94 3hik n MET 547 N -4.03 0.26 -3.74 1.13 2.81 -1.23 -4.97 117.12 107.35 3hik n MET 547 Ca -0.14 0.15 -0.25 0.00 -1.81 0.00 0.00 57.70 55.65 3hik n MET 547 Cb 0.88 -1.74 0.02 0.00 -0.71 0.00 0.00 33.22 31.67 3hik n MET 547 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hik n ALA 548 N -1.79 -2.21 -2.45 3.04 0.00 0.07 -4.84 120.51 112.34 3hik n ALA 548 Ca 0.05 -0.20 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 3hik n ALA 548 Cb 0.43 -2.69 -0.11 0.00 0.00 0.00 0.00 19.45 17.08 3hik n ALA 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hik s ALA 549 N -3.68 1.06 -0.01 0.00 0.00 -0.84 -0.97 121.76 117.32 3hik s ALA 549 Ca 0.17 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.97 3hik s ALA 549 Cb -0.06 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3hik s ALA 549 CO 0.84 -0.07 -0.13 0.54 0.00 0.00 0.00 175.76 176.94 3hik s VAL 550 N -2.61 1.06 -0.14 0.00 0.11 -0.41 -1.58 120.40 116.82 3hik s VAL 550 Ca 0.06 -0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 58.51 3hik s VAL 550 Cb -0.02 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 3hik s VAL 550 CO -0.01 0.30 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.14 3hik s THR 551 N -0.23 3.94 -0.20 5.04 2.01 0.15 -0.51 115.64 125.85 3hik s THR 551 Ca 0.04 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 3hik s THR 551 Cb -0.06 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 3hik s THR 551 CO -0.00 0.51 -0.08 -0.47 -0.69 0.00 0.00 174.62 173.89 3hik s TYR 552 N 0.18 2.91 -0.34 4.92 5.04 0.15 -0.90 117.35 129.31 3hik s TYR 552 Ca -0.02 -0.97 -0.11 0.00 -2.44 0.00 0.00 57.07 53.53 3hik s TYR 552 Cb -0.14 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.14 3hik s TYR 552 CO 0.03 -0.52 0.20 0.42 -1.34 0.00 0.00 175.55 174.34 3hik s ILE 553 N 1.24 4.82 0.64 3.14 1.01 0.37 -1.33 121.20 131.10 3hik s ILE 553 Ca 0.03 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 3hik s ILE 553 Cb -0.14 -3.55 0.14 0.00 0.01 0.00 0.00 42.46 38.92 3hik s ILE 553 CO -0.03 -0.07 0.87 -0.90 0.00 0.00 0.00 174.94 174.81 3hik n ASP 554 N 5.03 0.48 0.29 3.58 5.68 -0.51 -1.49 116.55 129.61 3hik n ASP 554 Ca -0.13 -1.57 0.18 0.00 -0.50 0.00 0.00 54.79 52.78 3hik n ASP 554 Cb 0.48 -0.63 0.80 0.00 -1.14 0.00 0.00 41.12 40.63 3hik n ASP 554 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3hik h GLU 555 N 0.00 0.00 -0.61 0.11 9.09 -1.87 -1.20 114.58 120.10 3hik h GLU 555 Ca -0.29 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.02 3hik h GLU 555 Cb 0.89 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.93 3hik h GLU 555 CO 0.24 0.00 0.12 0.36 0.05 0.00 0.00 179.01 179.78 3hik n LYS 556 N -3.06 4.10 -1.50 1.06 2.85 -1.26 -4.94 118.16 115.42 3hik n LYS 556 Ca -0.00 -3.11 -0.17 0.00 -1.05 0.00 0.00 58.31 53.98 3hik n LYS 556 Cb 0.25 -2.19 -0.07 0.00 -0.65 0.00 0.00 35.03 32.37 3hik n LYS 556 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hik n ARG 557 N 0.11 -1.32 -2.52 -1.58 1.74 -0.45 -4.97 116.66 107.67 3hik n ARG 557 Ca 0.33 1.10 -0.41 0.00 -0.77 0.00 0.00 57.85 58.09 3hik n ARG 557 Cb 1.25 -5.38 -0.04 0.00 -1.02 0.00 0.00 32.46 27.27 3hik n ARG 557 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hik s ASP 558 N -2.75 7.23 -0.20 0.55 -1.08 -1.26 -4.81 116.67 114.36 3hik s ASP 558 Ca 0.00 2.02 -0.02 0.00 -0.52 0.00 0.00 52.55 54.03 3hik s ASP 558 Cb 0.00 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 3hik s ASP 558 CO 0.00 -0.29 -0.11 0.12 0.52 0.00 0.00 175.17 175.42 3hik s PHE 559 N 0.24 2.88 -0.02 -5.34 2.19 -1.26 -1.43 117.98 115.24 3hik s PHE 559 Ca 0.52 -1.13 0.02 0.00 0.33 0.00 0.00 56.93 56.67 3hik s PHE 559 Cb -0.28 -2.01 0.00 0.00 -1.31 0.00 0.00 43.02 39.42 3hik s PHE 559 CO 0.32 -0.59 -0.07 1.03 1.83 0.00 0.00 175.22 177.74 3hik s ARG 560 N 1.27 0.78 -0.17 10.12 1.81 -0.44 -4.98 118.95 127.34 3hik s ARG 560 Ca 0.03 -0.24 -0.01 0.00 -1.72 0.00 0.00 55.73 53.79 3hik s ARG 560 Cb -0.14 -0.75 -0.01 0.00 -0.45 0.00 0.00 34.95 33.61 3hik s ARG 560 CO -0.05 0.09 -0.12 0.99 -0.68 0.00 0.00 175.30 175.53 3hik s THR 561 N 0.19 2.97 0.07 0.02 2.01 -1.26 0.34 115.64 119.98 3hik s THR 561 Ca -0.03 -0.66 0.09 0.00 0.31 0.00 0.00 61.69 61.41 3hik s THR 561 Cb -0.07 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 3hik s THR 561 CO 0.00 0.49 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.86 3hik s TYR 562 N 0.88 2.18 -0.03 4.92 2.02 0.34 -0.39 117.35 127.26 3hik s TYR 562 Ca -0.03 -0.40 -0.27 0.00 -0.37 0.00 0.00 57.07 56.00 3hik s TYR 562 Cb -0.15 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.11 3hik s TYR 562 CO -0.00 0.18 0.84 1.03 -1.57 0.00 0.00 175.55 176.02 3hik s ARG 563 N -1.48 4.50 0.20 -0.62 0.52 -0.60 -1.29 118.95 120.17 3hik s ARG 563 Ca 0.11 1.14 -0.10 0.00 -0.52 0.00 0.00 55.73 56.36 3hik s ARG 563 Cb -0.10 -3.45 0.22 0.00 0.52 0.00 0.00 34.95 32.14 3hik s ARG 563 CO 0.03 0.01 1.81 -0.07 0.02 0.00 0.00 175.30 177.09 3hik h LEU 564 N 6.79 0.53 -1.72 2.53 3.38 -1.38 -1.15 115.31 124.29 3hik h LEU 564 Ca -0.41 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 3hik h LEU 564 Cb 1.21 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3hik h LEU 564 CO 0.75 0.35 0.02 0.77 0.09 0.00 0.00 178.44 180.42 3hik h SER 565 N 0.66 0.17 0.13 -0.43 4.64 -1.92 -1.81 113.55 114.99 3hik h SER 565 Ca 0.28 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.41 3hik h SER 565 Cb 0.16 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3hik h SER 565 CO -0.17 0.19 -0.66 -0.07 -0.87 0.00 0.00 176.83 175.25 3hik h LEU 566 N 0.20 0.58 -2.11 5.97 3.38 -1.58 -2.69 115.31 119.05 3hik h LEU 566 Ca 0.05 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.71 3hik h LEU 566 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3hik h LEU 566 CO -0.00 1.09 0.13 -0.07 0.09 0.00 0.00 178.44 179.68 3hik h LEU 567 N 0.36 0.00 -0.45 1.67 3.38 -0.48 0.15 115.31 119.95 3hik h LEU 567 Ca -0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3hik h LEU 567 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3hik h LEU 567 CO 0.12 0.00 -0.37 -0.33 0.09 0.00 0.00 178.44 177.95 3hik h GLU 568 N 0.00 0.90 -0.06 1.13 5.08 -1.15 0.15 114.58 120.64 3hik h GLU 568 Ca 0.08 -0.46 -0.10 0.00 -1.00 0.00 0.00 59.36 57.88 3hik h GLU 568 Cb 0.34 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3hik h GLU 568 CO -0.00 1.11 -0.34 1.49 -1.00 0.00 0.00 179.01 180.27 3hik h GLU 569 N 0.74 0.34 0.00 2.33 4.81 -1.03 -3.40 114.58 118.37 3hik h GLU 569 Ca 0.07 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3hik h GLU 569 Cb 0.95 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3hik h GLU 569 CO 0.09 0.93 -1.66 0.66 -0.73 0.00 0.00 179.01 178.30 3hik n TYR 570 N -4.41 0.00 -3.09 0.92 4.01 0.44 -5.01 117.16 110.03 3hik n TYR 570 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3hik n TYR 570 Cb 0.52 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 3hik n TYR 570 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hik n GLY 571 N 1.48 -2.13 3.73 2.72 0.00 0.53 -0.74 105.19 110.78 3hik n GLY 571 Ca -0.02 -1.50 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 3hik n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hik h LYS 574 N -1.25 0.00 0.13 0.00 1.57 -1.96 -0.55 116.57 114.51 3hik h LYS 574 Ca -0.46 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 3hik h LYS 574 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3hik h LYS 574 CO 0.53 0.08 -0.06 0.93 -0.57 0.00 0.00 179.45 180.36 3hik h GLU 575 N 0.00 -0.17 -0.37 3.15 3.07 -1.99 -1.75 114.58 116.52 3hik h GLU 575 Ca -0.00 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 3hik h GLU 575 Cb 0.16 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3hik h GLU 575 CO 0.01 0.15 -0.03 1.25 -1.40 0.00 0.00 179.01 178.99 3hik h LEU 576 N -0.49 0.67 -0.20 1.33 5.85 -1.89 -2.17 115.31 118.40 3hik h LEU 576 Ca -0.02 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.43 3hik h LEU 576 Cb 0.39 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3hik h LEU 576 CO 0.03 0.83 -0.14 0.00 -0.34 0.00 0.00 178.44 178.82 3hik h ALA 577 N 0.86 0.01 -0.91 1.25 0.00 -1.18 0.06 119.26 119.35 3hik h ALA 577 Ca 0.10 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3hik h ALA 577 Cb 0.51 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3hik h ALA 577 CO 0.02 -0.57 0.59 1.03 0.00 0.00 0.00 179.25 180.33 3hik h SER 578 N -0.14 0.94 0.56 0.00 0.87 -1.24 -1.74 113.55 112.80 3hik h SER 578 Ca 0.12 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.53 3hik h SER 578 Cb 0.32 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3hik h SER 578 CO -0.29 0.62 -0.66 0.03 -0.53 0.00 0.00 176.83 176.00 3hik h ARG 579 N 1.08 0.10 0.00 2.24 3.08 -0.76 -2.40 114.38 117.71 3hik h ARG 579 Ca 0.38 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 60.23 3hik h ARG 579 Cb 0.13 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3hik h ARG 579 CO -0.13 0.72 -0.61 -0.07 -1.07 0.00 0.00 179.97 178.81 3hik h LEU 580 N 0.07 0.00 -0.33 3.04 3.38 -0.55 -0.42 115.31 120.50 3hik h LEU 580 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3hik h LEU 580 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3hik h LEU 580 CO 0.09 0.61 -0.38 0.03 0.09 0.00 0.00 178.44 178.88 3hik h ARG 581 N 0.00 0.84 -0.76 1.13 3.08 -1.18 -2.27 114.38 115.23 3hik h ARG 581 Ca -0.01 -0.46 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 3hik h ARG 581 Cb 1.08 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.12 3hik h ARG 581 CO 0.08 1.10 0.41 -0.92 -1.07 0.00 0.00 179.97 179.57 3hik h TYR 582 N 0.62 1.04 -0.96 3.04 3.20 -1.28 -2.66 116.97 119.97 3hik h TYR 582 Ca 0.05 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3hik h TYR 582 Cb 0.97 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 3hik h TYR 582 CO 0.07 0.74 0.61 0.00 -1.64 0.00 0.00 178.16 177.93 3hik h ALA 583 N 1.21 1.25 -0.73 1.82 0.00 -0.95 -1.49 119.26 120.37 3hik h ALA 583 Ca 0.27 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3hik h ALA 583 Cb 0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3hik h ALA 583 CO -0.04 0.66 0.23 -0.09 0.00 0.00 0.00 179.25 180.01 3hik h ARG 584 N 1.32 1.13 -0.75 0.00 1.12 -1.07 -0.79 114.38 115.34 3hik h ARG 584 Ca 0.35 -0.24 0.03 0.00 -1.11 0.00 0.00 59.98 59.01 3hik h ARG 584 Cb -0.10 -0.16 -0.04 0.00 -0.01 0.00 0.00 29.97 29.65 3hik h ARG 584 CO -0.07 0.96 0.49 1.15 -3.11 0.00 0.00 179.97 179.39 3hik h THR 585 N 1.08 1.11 -0.20 0.20 2.02 -1.07 -1.19 112.91 114.86 3hik h THR 585 Ca 0.24 -0.31 -0.18 0.00 0.77 0.00 0.00 66.41 66.93 3hik h THR 585 Cb 0.30 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3hik h THR 585 CO -0.01 0.17 -0.56 0.24 0.37 0.00 0.00 175.52 175.72 3hik h MET 586 N 0.91 0.73 -0.35 6.66 2.86 -0.66 -2.24 114.93 122.84 3hik h MET 586 Ca 0.30 -0.52 -0.06 0.00 -2.06 0.00 0.00 59.70 57.36 3hik h MET 586 Cb 0.05 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3hik h MET 586 CO -0.09 1.14 -0.02 0.28 1.06 0.00 0.00 176.91 179.28 3hik h VAL 587 N 0.45 1.21 -0.51 -2.22 2.07 -0.87 -1.21 116.25 115.17 3hik h VAL 587 Ca -0.01 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.66 3hik h VAL 587 Cb 1.18 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3hik h VAL 587 CO 0.12 0.29 0.32 0.44 0.02 0.00 0.00 177.57 178.76 3hik h ASP 588 N 0.53 0.53 -0.44 0.57 3.32 -0.98 -0.56 116.42 119.38 3hik h ASP 588 Ca 0.11 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.20 3hik h ASP 588 Cb 0.38 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3hik h ASP 588 CO 0.01 0.38 0.21 0.11 -1.72 0.00 0.00 179.24 178.23 3hik h LYS 589 N 0.64 0.40 -0.38 3.56 1.57 -0.92 0.49 116.57 121.94 3hik h LYS 589 Ca 0.20 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.03 3hik h LYS 589 Cb -0.02 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.13 3hik h LYS 589 CO -0.07 0.27 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.95 3hik h LEU 590 N 0.42 -0.27 -1.28 2.94 3.38 -0.97 -1.45 115.31 118.08 3hik h LEU 590 Ca 0.19 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 3hik h LEU 590 Cb 0.12 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3hik h LEU 590 CO -0.15 -0.09 -0.36 -0.07 0.09 0.00 0.00 178.44 177.86 3hik h LEU 591 N 0.04 0.00 -0.33 1.67 3.38 -0.80 -1.89 115.31 117.38 3hik h LEU 591 Ca 0.18 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.96 3hik h LEU 591 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hik h LEU 591 CO -0.36 0.36 -0.77 -1.28 0.09 0.00 0.00 178.44 176.48 3hik h SER 592 N 0.00 0.55 1.01 -0.43 0.87 -0.45 -2.80 113.55 112.30 3hik h SER 592 Ca -0.00 -0.37 -0.06 0.00 -1.23 0.00 0.00 61.79 60.12 3hik h SER 592 Cb 0.66 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3hik h SER 592 CO 0.05 1.13 -0.29 0.77 -0.53 0.00 0.00 176.83 177.96 3hik h SER 593 N 0.30 0.00 0.00 6.23 4.64 -1.20 -3.51 113.55 120.01 3hik h SER 593 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3hik h SER 593 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3hik h SER 593 CO 0.14 0.29 0.00 -1.14 -0.87 0.00 0.00 176.83 175.24