#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q4o h HIS 373 N 0.00 0.82 -0.37 0.00 3.86 -1.98 -1.73 115.15 115.74 1q4o h HIS 373 Ca 0.00 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.09 1q4o h HIS 373 Cb 0.00 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 1q4o h HIS 373 CO 0.00 0.36 -0.35 -0.07 0.86 0.00 0.00 177.93 178.73 1q4o h LEU 374 N 0.74 0.91 -0.78 2.43 3.38 -1.96 -0.39 115.31 119.64 1q4o h LEU 374 Ca 0.39 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1q4o h LEU 374 Cb 0.51 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1q4o h LEU 374 CO -0.16 1.16 -0.12 0.77 0.09 0.00 0.00 178.44 180.19 1q4o h SER 375 N 0.71 0.79 -0.50 -0.43 4.64 -1.73 -0.47 113.55 116.57 1q4o h SER 375 Ca 0.07 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 1q4o h SER 375 Cb 0.92 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.77 1q4o h SER 375 CO 0.08 0.93 0.15 0.44 -0.87 0.00 0.00 176.83 177.56 1q4o h ASP 376 N 0.72 0.78 0.49 4.97 3.45 -1.20 -1.67 116.42 123.97 1q4o h ASP 376 Ca 0.12 -0.13 -0.20 0.00 0.43 0.00 0.00 57.03 57.25 1q4o h ASP 376 Cb 0.61 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 1q4o h ASP 376 CO 0.04 0.76 -0.85 -0.03 -1.57 0.00 0.00 179.24 177.59 1q4o h MET 377 N 0.81 0.25 -0.41 3.56 4.05 -0.75 -1.76 114.93 120.69 1q4o h MET 377 Ca 0.18 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1q4o h MET 377 Cb 0.28 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 1q4o h MET 377 CO -0.00 0.96 0.20 1.25 0.23 0.00 0.00 176.91 179.55 1q4o h LEU 378 N 0.15 0.53 -0.83 3.39 5.85 -0.87 -0.97 115.31 122.55 1q4o h LEU 378 Ca -0.05 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1q4o h LEU 378 Cb 1.46 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.30 1q4o h LEU 378 CO 0.13 0.50 0.52 -0.61 -0.34 0.00 0.00 178.44 178.64 1q4o h GLN 379 N 0.52 0.93 -0.04 1.25 4.15 -1.06 -0.65 115.11 120.21 1q4o h GLN 379 Ca 0.14 -0.06 -0.20 0.00 0.77 0.00 0.00 58.65 59.31 1q4o h GLN 379 Cb 0.11 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 1q4o h GLN 379 CO -0.02 0.61 -0.82 1.96 -1.93 0.00 0.00 178.83 178.63 1q4o h GLN 380 N 0.95 0.37 -0.06 1.69 4.20 -1.06 -2.63 115.11 118.58 1q4o h GLN 380 Ca 0.36 -0.35 -0.21 0.00 0.06 0.00 0.00 58.65 58.51 1q4o h GLN 380 Cb 0.14 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1q4o h GLN 380 CO -0.16 1.01 -0.83 -0.07 -0.67 0.00 0.00 178.83 178.11 1q4o h LEU 381 N 0.23 0.59 -0.45 1.46 3.38 -0.88 -2.21 115.31 117.42 1q4o h LEU 381 Ca -0.05 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.56 1q4o h LEU 381 Cb 1.43 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 1q4o h LEU 381 CO 0.14 1.20 0.16 -0.74 0.09 0.00 0.00 178.44 179.28 1q4o h HIS 382 N 0.31 0.28 -0.03 1.13 2.76 -1.01 -0.18 115.15 118.40 1q4o h HIS 382 Ca -0.06 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1q4o h HIS 382 Cb 1.44 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.34 1q4o h HIS 382 CO 0.06 0.10 0.00 0.77 -1.30 0.00 0.00 177.93 177.56 1q4o h SER 383 N 0.33 0.05 -0.40 3.26 0.02 -1.38 0.25 113.55 115.67 1q4o h SER 383 Ca 0.21 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1q4o h SER 383 Cb 0.22 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1q4o h SER 383 CO -0.22 0.31 0.25 1.62 -1.14 0.00 0.00 176.83 177.64 1q4o h VAL 384 N -0.22 1.06 -0.43 2.27 3.04 -1.27 -0.99 116.25 119.72 1q4o h VAL 384 Ca 0.01 -0.17 -0.14 0.00 -1.01 0.00 0.00 66.70 65.38 1q4o h VAL 384 Cb 0.28 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 1q4o h VAL 384 CO 0.00 0.09 -0.30 0.78 -1.01 0.00 0.00 177.57 177.14 1q4o h ASN 385 N 0.50 0.98 0.19 3.17 2.35 -0.85 -2.14 115.58 119.77 1q4o h ASN 385 Ca 0.15 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.49 1q4o h ASN 385 Cb -0.02 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.08 1q4o h ASN 385 CO -0.06 1.19 -0.03 0.00 -1.65 0.00 0.00 177.43 176.88 1q4o h ALA 386 N 0.86 1.24 0.00 -0.83 0.00 0.09 -1.04 119.26 119.59 1q4o h ALA 386 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1q4o h ALA 386 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1q4o h ALA 386 CO 0.08 0.04 -0.03 -1.13 0.00 0.00 0.00 179.25 178.21 1q4o n SER 387 N -3.47 0.44 -3.64 0.00 3.41 -0.43 -4.95 113.62 104.98 1q4o n SER 387 Ca -0.02 0.51 -0.27 0.00 -0.26 0.00 0.00 58.87 58.83 1q4o n SER 387 Cb 0.14 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 63.49 1q4o n SER 387 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1q4o n LYS 388 N -1.89 -1.53 0.28 4.33 5.02 -0.39 -4.84 118.16 119.13 1q4o n LYS 388 Ca 0.06 0.84 0.17 0.00 -2.02 0.00 0.00 58.31 57.36 1q4o n LYS 388 Cb 0.39 -2.01 0.69 0.00 -0.02 0.00 0.00 35.03 34.07 1q4o n LYS 388 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1q4o h PRO 389 N 0.30 0.00 0.00 1.97 0.13 -1.82 -1.29 132.00 131.28 1q4o h PRO 389 Ca -0.59 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1q4o h PRO 389 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1q4o h PRO 389 CO 0.31 0.01 -0.03 -1.13 -0.23 0.00 0.00 178.00 176.94 1q4o n SER 390 N -3.11 0.14 -4.28 1.44 3.41 -1.14 -1.29 113.62 108.78 1q4o n SER 390 Ca 0.00 0.47 -0.44 0.00 -0.26 0.00 0.00 58.87 58.65 1q4o n SER 390 Cb 0.31 -0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 63.75 1q4o n SER 390 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1q4o n GLU 391 N -1.60 3.54 -3.66 4.33 1.02 -0.49 -4.89 120.64 118.89 1q4o n GLU 391 Ca 0.07 -4.47 -0.08 0.00 -0.02 0.00 0.00 57.16 52.66 1q4o n GLU 391 Cb 0.35 -2.53 -0.08 0.00 -0.02 0.00 0.00 31.44 29.16 1q4o n GLU 391 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1q4o s ARG 392 N -1.46 0.51 0.16 3.49 0.52 -1.26 -4.96 118.95 115.95 1q4o s ARG 392 Ca 0.31 1.08 -0.25 0.00 -0.52 0.00 0.00 55.73 56.34 1q4o s ARG 392 Cb -0.08 0.22 0.03 0.00 0.52 0.00 0.00 34.95 35.63 1q4o s ARG 392 CO -0.07 -0.18 1.58 0.78 0.02 0.00 0.00 175.30 177.44 1q4o h GLY 393 N 7.38 -0.44 -7.78 -3.53 0.00 -1.96 -3.33 103.07 93.42 1q4o h GLY 393 Ca -0.28 0.50 -0.68 0.00 0.00 0.00 0.00 47.33 46.87 1q4o h GLY 393 CO 0.19 -0.19 -0.72 -2.27 0.00 0.00 0.00 176.54 173.55 1q4o s LEU 394 N -10.54 3.88 -0.06 3.11 2.96 -1.26 -5.08 118.68 111.68 1q4o s LEU 394 Ca -0.15 -1.40 -0.30 0.00 -0.22 0.00 0.00 54.13 52.06 1q4o s LEU 394 Cb 0.12 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1q4o s LEU 394 CO 0.66 -0.26 1.13 -0.69 -1.32 0.00 0.00 176.35 175.87 1q4o s VAL 395 N 1.18 4.44 -0.52 1.68 1.01 -1.25 -4.85 120.40 122.10 1q4o s VAL 395 Ca -0.05 1.75 0.07 0.00 0.00 0.00 0.00 61.98 63.75 1q4o s VAL 395 Cb -0.20 -4.12 0.34 0.00 0.00 0.00 0.00 36.38 32.40 1q4o s VAL 395 CO -0.03 0.01 0.89 0.54 0.00 0.00 0.00 175.10 176.51 1q4o n ARG 396 N 5.01 2.58 -0.04 2.72 1.74 -0.32 -4.93 116.66 123.42 1q4o n ARG 396 Ca 0.10 -4.43 0.05 0.00 -0.77 0.00 0.00 57.85 52.81 1q4o n ARG 396 Cb 0.47 -2.08 0.42 0.00 -1.02 0.00 0.00 32.46 30.25 1q4o n ARG 396 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1q4o h GLN 397 N 2.98 0.55 0.00 5.56 4.15 -1.75 -2.28 115.11 124.33 1q4o h GLN 397 Ca 0.12 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1q4o h GLN 397 Cb 0.64 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1q4o h GLN 397 CO 0.73 0.37 0.00 0.93 -1.93 0.00 0.00 178.83 178.92 1q4o h GLU 398 N 0.57 0.00 -0.01 1.69 5.08 -1.91 -1.70 114.58 118.29 1q4o h GLU 398 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1q4o h GLU 398 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1q4o h GLU 398 CO -0.05 0.00 -0.49 0.39 -1.00 0.00 0.00 179.01 177.86 1q4o n GLU 399 N -2.65 1.29 0.00 2.33 1.02 -0.86 -3.20 120.64 118.58 1q4o n GLU 399 Ca -0.02 -0.81 0.15 0.00 -0.02 0.00 0.00 57.16 56.46 1q4o n GLU 399 Cb 0.06 -1.41 0.79 0.00 -0.02 0.00 0.00 31.44 30.86 1q4o n GLU 399 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1q4o n ALA 400 N -0.24 2.50 -2.16 0.62 0.00 -0.64 -4.86 120.51 115.73 1q4o n ALA 400 Ca 0.08 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 1q4o n ALA 400 Cb 0.41 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 1q4o n ALA 400 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1q4o s GLU 401 N -2.42 4.11 -0.29 0.00 2.02 -1.19 -1.56 118.70 119.36 1q4o s GLU 401 Ca 0.33 1.90 0.01 0.00 0.02 0.00 0.00 54.97 57.23 1q4o s GLU 401 Cb 0.20 -3.93 0.06 0.00 0.10 0.00 0.00 34.13 30.57 1q4o s GLU 401 CO 0.43 -0.90 -0.04 0.34 0.02 0.00 0.00 175.26 175.11 1q4o s ASP 402 N 3.11 4.68 0.51 -0.19 -1.08 -0.18 -4.92 116.67 118.60 1q4o s ASP 402 Ca 0.67 -1.49 0.33 0.00 -0.52 0.00 0.00 52.55 51.54 1q4o s ASP 402 Cb -0.28 -1.63 1.47 0.00 -1.46 0.00 0.00 42.92 41.02 1q4o s ASP 402 CO 0.25 -0.26 1.99 -0.65 0.52 0.00 0.00 175.17 177.02 1q4o h PRO 403 N 7.84 0.00 0.00 4.34 0.11 -1.95 -2.72 132.00 139.62 1q4o h PRO 403 Ca -0.17 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.88 1q4o h PRO 403 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1q4o h PRO 403 CO 0.50 0.00 -0.24 0.00 -0.21 0.00 0.00 178.00 178.05 1q4o h ALA 404 N 2.05 0.97 -0.23 -0.75 0.00 -1.95 -2.97 119.26 116.38 1q4o h ALA 404 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1q4o h ALA 404 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1q4o h ALA 404 CO 0.00 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1q4o n ILE 406 N 0.62 0.12 -2.47 0.00 5.41 -1.12 -4.93 119.36 116.98 1q4o n ILE 406 Ca 0.17 -0.02 -0.37 0.00 1.00 0.00 0.00 62.75 63.52 1q4o n ILE 406 Cb 0.40 -1.80 -0.03 0.00 -0.71 0.00 0.00 39.64 37.50 1q4o n ILE 406 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1q4o s PRO 407 N 1.59 4.15 0.03 0.38 0.04 -1.26 -4.96 135.00 134.97 1q4o s PRO 407 Ca 0.80 1.61 -0.13 0.00 0.04 0.00 0.00 61.00 63.32 1q4o s PRO 407 Cb -0.60 -2.61 -0.33 0.00 0.04 0.00 0.00 34.50 31.00 1q4o s PRO 407 CO 0.37 -0.17 0.97 0.82 0.04 0.00 0.00 177.00 179.04 1q4o h ILE 408 N 2.27 1.27 -3.52 0.56 2.04 -2.01 -3.46 117.51 114.65 1q4o h ILE 408 Ca -0.48 -2.75 -0.67 0.00 1.00 0.00 0.00 64.86 61.96 1q4o h ILE 408 Cb 1.22 2.98 -0.29 0.00 -0.74 0.00 0.00 36.82 39.99 1q4o h ILE 408 CO 0.63 0.83 -0.82 -0.36 0.00 0.00 0.00 178.15 178.43 1q4o s PHE 409 N -2.61 2.66 0.11 1.37 0.40 -1.26 -4.79 117.98 113.86 1q4o s PHE 409 Ca -0.09 -0.73 -0.09 0.00 -0.60 0.00 0.00 56.93 55.42 1q4o s PHE 409 Cb 0.05 -1.74 -0.00 0.00 0.51 0.00 0.00 43.02 41.84 1q4o s PHE 409 CO 0.92 -0.23 0.22 1.67 0.70 0.00 0.00 175.22 178.50 1q4o s TRP 410 N 0.14 0.19 -0.36 0.36 -2.14 -1.26 -5.01 118.94 110.86 1q4o s TRP 410 Ca -0.10 -0.60 -0.27 0.00 2.66 0.00 0.00 56.10 57.79 1q4o s TRP 410 Cb -0.16 -0.05 0.02 0.00 -3.10 0.00 0.00 33.47 30.19 1q4o s TRP 410 CO 0.06 -0.59 1.01 0.08 -2.66 0.00 0.00 176.95 174.85 1q4o s VAL 411 N -3.88 4.52 -0.02 -0.66 1.01 -1.26 0.29 120.40 120.39 1q4o s VAL 411 Ca 0.07 1.43 -0.19 0.00 0.00 0.00 0.00 61.98 63.29 1q4o s VAL 411 Cb 0.04 -4.39 -0.33 0.00 0.00 0.00 0.00 36.38 31.70 1q4o s VAL 411 CO -0.09 -0.55 0.91 -1.28 0.00 0.00 0.00 175.10 174.09 1q4o h SER 412 N 8.38 0.60 -5.22 3.32 0.87 -0.22 -3.45 113.55 117.84 1q4o h SER 412 Ca -0.22 -0.94 -0.10 0.00 -1.23 0.00 0.00 61.79 59.30 1q4o h SER 412 Cb 1.07 -0.20 -0.13 0.00 -0.44 0.00 0.00 62.40 62.70 1q4o h SER 412 CO 1.02 1.52 -0.36 -0.54 -0.53 0.00 0.00 176.83 177.94 1q4o s LYS 413 N -2.49 0.99 0.07 2.24 1.02 -0.92 -1.97 119.74 118.68 1q4o s LYS 413 Ca -0.12 -1.08 -0.19 0.00 0.02 0.00 0.00 55.97 54.61 1q4o s LYS 413 Cb 0.02 0.35 0.04 0.00 -0.52 0.00 0.00 37.83 37.73 1q4o s LYS 413 CO 0.87 -0.34 0.44 1.67 -0.92 0.00 0.00 175.35 177.07 1q4o s TRP 414 N -3.92 -0.30 -0.02 3.18 1.48 -1.26 -0.23 118.94 117.88 1q4o s TRP 414 Ca 0.11 0.20 -0.00 0.00 -1.06 0.00 0.00 56.10 55.35 1q4o s TRP 414 Cb 0.04 0.27 0.03 0.00 -1.16 0.00 0.00 33.47 32.65 1q4o s TRP 414 CO -0.05 -0.63 0.03 0.14 -4.06 0.00 0.00 176.95 172.37 1q4o s VAL 415 N -2.87 -0.01 -0.58 -0.66 -7.23 -0.06 -4.97 120.40 104.03 1q4o s VAL 415 Ca -0.03 0.21 -0.20 0.00 -1.81 0.00 0.00 61.98 60.15 1q4o s VAL 415 Cb -0.00 -0.13 0.08 0.00 0.56 0.00 0.00 36.38 36.88 1q4o s VAL 415 CO -0.05 0.11 0.75 -0.62 -0.31 0.00 0.00 175.10 174.98 1q4o s ASP 416 N 1.19 6.20 -0.48 4.85 2.15 -1.26 -1.53 116.67 127.79 1q4o s ASP 416 Ca -0.08 -1.12 0.05 0.00 0.43 0.00 0.00 52.55 51.83 1q4o s ASP 416 Cb -0.13 -2.33 0.41 0.00 -0.30 0.00 0.00 42.92 40.56 1q4o s ASP 416 CO -0.03 -1.12 1.14 -1.22 -0.17 0.00 0.00 175.17 173.77 1q4o n TYR 417 N 6.64 3.47 0.14 -5.34 0.53 0.04 -4.88 117.16 117.77 1q4o n TYR 417 Ca -0.07 -3.19 0.04 0.00 -1.02 0.00 0.00 57.90 53.67 1q4o n TYR 417 Cb 0.44 -0.20 0.46 0.00 -1.03 0.00 0.00 39.34 39.01 1q4o n TYR 417 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1q4o h SER 418 N 2.67 0.19 0.27 7.72 0.02 -1.84 0.58 113.55 123.16 1q4o h SER 418 Ca 0.29 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1q4o h SER 418 Cb 0.81 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1q4o h SER 418 CO 0.88 0.27 -0.16 0.44 -1.14 0.00 0.00 176.83 177.12 1q4o h ASP 419 N 0.20 0.00 0.00 3.07 3.32 -1.90 -3.40 116.42 117.72 1q4o h ASP 419 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1q4o h ASP 419 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1q4o h ASP 419 CO 0.01 0.16 -0.17 1.17 -1.72 0.00 0.00 179.24 178.69 1q4o n LYS 420 N -3.96 0.00 0.00 3.56 0.00 -1.13 -5.03 118.16 111.60 1q4o n LYS 420 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.29 1q4o n LYS 420 Cb 0.25 -0.46 0.00 0.00 0.00 0.00 0.00 35.03 34.82 1q4o n LYS 420 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1q4o n TYR 421 N -1.90 0.00 0.00 5.64 0.53 -0.53 -4.80 117.16 116.11 1q4o n TYR 421 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1q4o n TYR 421 Cb 0.08 -0.07 0.00 0.00 -1.03 0.00 0.00 39.34 38.33 1q4o n TYR 421 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1q4o n GLY 422 N 2.26 -0.53 3.22 2.72 0.00 0.09 -0.70 105.19 112.24 1q4o n GLY 422 Ca 0.00 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 1q4o n GLY 422 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q4o s LEU 423 N 0.00 2.90 0.02 0.99 0.20 -0.36 -0.78 118.68 121.65 1q4o s LEU 423 Ca 0.00 -0.69 -0.03 0.00 0.69 0.00 0.00 54.13 54.10 1q4o s LEU 423 Cb 0.00 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 44.07 1q4o s LEU 423 CO 0.00 -0.07 0.21 -0.83 -0.29 0.00 0.00 176.35 175.37 1q4o s GLY 424 N 1.36 2.19 0.12 7.98 0.00 -0.58 -0.65 107.32 117.74 1q4o s GLY 424 Ca 0.03 -0.75 -0.16 0.00 0.00 0.00 0.00 44.72 43.84 1q4o s GLY 424 CO -0.06 -0.66 0.39 -2.52 0.00 0.00 0.00 173.10 170.25 1q4o s TYR 425 N -1.39 -0.19 -0.09 1.90 -0.85 -0.12 -0.88 117.35 115.73 1q4o s TYR 425 Ca 0.30 -0.11 0.04 0.00 -0.52 0.00 0.00 57.07 56.78 1q4o s TYR 425 Cb -0.13 0.23 -0.00 0.00 0.38 0.00 0.00 41.96 42.44 1q4o s TYR 425 CO 0.21 -0.68 -0.23 -1.14 -1.52 0.00 0.00 175.55 172.20 1q4o s GLN 426 N -3.69 2.97 0.77 -3.49 0.74 0.69 -0.97 119.66 116.67 1q4o s GLN 426 Ca 0.02 -0.86 -0.12 0.00 0.05 0.00 0.00 55.36 54.46 1q4o s GLN 426 Cb 0.02 -2.31 0.05 0.00 1.10 0.00 0.00 33.01 31.87 1q4o s GLN 426 CO -0.11 0.24 1.13 -0.51 -0.55 0.00 0.00 175.29 175.49 1q4o s LEU 427 N 0.20 2.66 0.43 3.68 1.02 -0.10 0.45 118.68 127.03 1q4o s LEU 427 Ca -0.14 1.04 0.30 0.00 0.02 0.00 0.00 54.13 55.35 1q4o s LEU 427 Cb -0.17 -3.67 1.25 0.00 0.02 0.00 0.00 46.19 43.63 1q4o s LEU 427 CO 0.07 -1.71 1.89 0.00 0.02 0.00 0.00 176.35 176.61 1q4o n ASP 429 N -2.73 0.09 0.00 0.00 5.75 -1.26 -4.91 116.55 113.49 1q4o n ASP 429 Ca 0.01 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.87 1q4o n ASP 429 Cb 0.26 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1q4o n ASP 429 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1q4o n ASN 430 N -0.97 -2.16 -4.80 -1.12 3.02 -0.46 -4.69 115.26 104.08 1q4o n ASN 430 Ca 0.22 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.45 1q4o n ASN 430 Cb 0.14 -0.36 0.02 0.00 -0.61 0.00 0.00 39.78 38.97 1q4o n ASN 430 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1q4o s SER 431 N -2.17 5.65 0.05 6.41 1.04 -1.26 -4.36 113.70 119.06 1q4o s SER 431 Ca 0.00 1.78 0.03 0.00 0.48 0.00 0.00 55.95 58.24 1q4o s SER 431 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1q4o s SER 431 CO 0.00 -1.26 -0.10 -0.69 0.98 0.00 0.00 173.24 172.17 1q4o s VAL 432 N -2.58 0.76 0.15 5.02 1.01 0.21 -0.92 120.40 124.04 1q4o s VAL 432 Ca 0.62 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 1q4o s VAL 432 Cb -0.16 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1q4o s VAL 432 CO 0.41 -0.27 0.37 -0.83 0.00 0.00 0.00 175.10 174.78 1q4o s GLY 433 N -1.51 0.04 -0.03 4.51 0.00 -0.15 0.65 107.32 110.84 1q4o s GLY 433 Ca -0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 44.72 44.23 1q4o s GLY 433 CO 0.01 -0.52 0.07 0.54 0.00 0.00 0.00 173.10 173.20 1q4o s VAL 434 N -3.88 -0.02 -0.49 1.40 0.11 -0.25 -0.94 120.40 116.34 1q4o s VAL 434 Ca 0.09 0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 59.07 1q4o s VAL 434 Cb 0.02 -0.11 0.11 0.00 -1.53 0.00 0.00 36.38 34.87 1q4o s VAL 434 CO -0.06 0.02 0.39 -0.22 -3.33 0.00 0.00 175.10 171.91 1q4o s LEU 435 N 0.34 5.78 0.79 2.54 2.96 0.18 -2.02 118.68 129.25 1q4o s LEU 435 Ca -0.03 -1.75 -0.11 0.00 -0.22 0.00 0.00 54.13 52.03 1q4o s LEU 435 Cb -0.04 -2.10 0.07 0.00 0.50 0.00 0.00 46.19 44.62 1q4o s LEU 435 CO -0.01 -0.72 1.09 -0.36 -1.32 0.00 0.00 176.35 175.02 1q4o s PHE 436 N 1.49 2.69 0.43 5.38 0.40 -0.40 -1.23 117.98 126.74 1q4o s PHE 436 Ca 0.04 1.36 0.40 0.00 -0.60 0.00 0.00 56.93 58.14 1q4o s PHE 436 Cb -0.27 -3.05 2.01 0.00 0.51 0.00 0.00 43.02 42.22 1q4o s PHE 436 CO 0.02 -1.81 2.21 -0.91 0.70 0.00 0.00 175.22 175.43 1q4o h ASN 437 N -1.13 0.00 -0.26 1.36 4.21 -1.22 -0.94 115.58 117.61 1q4o h ASN 437 Ca -0.46 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.04 1q4o h ASN 437 Cb 1.25 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.44 1q4o h ASN 437 CO 0.55 0.00 0.01 -0.90 -1.29 0.00 0.00 177.43 175.80 1q4o n ASP 438 N -3.05 3.08 -1.88 5.81 5.75 -1.26 -4.88 116.55 120.11 1q4o n ASP 438 Ca -0.02 -2.42 -0.11 0.00 -0.01 0.00 0.00 54.79 52.24 1q4o n ASP 438 Cb 0.16 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 39.64 1q4o n ASP 438 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1q4o n SER 439 N 0.26 -3.25 -4.96 -1.12 7.64 -0.36 -4.78 113.62 107.05 1q4o n SER 439 Ca 0.13 0.25 -0.22 0.00 1.01 0.00 0.00 58.87 60.03 1q4o n SER 439 Cb 0.68 -2.94 0.00 0.00 -1.01 0.00 0.00 64.21 60.94 1q4o n SER 439 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1q4o s THR 440 N -2.24 4.30 -0.00 0.44 -4.23 -1.26 -3.97 115.64 108.69 1q4o s THR 440 Ca 0.00 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1q4o s THR 440 Cb 0.00 -3.56 -0.00 0.00 1.34 0.00 0.00 72.50 70.27 1q4o s THR 440 CO 0.00 -0.35 -0.01 0.00 -0.54 0.00 0.00 174.62 173.72 1q4o s ARG 441 N -4.41 0.09 -0.06 3.99 1.70 -0.38 -1.27 118.95 118.62 1q4o s ARG 441 Ca 0.45 -0.06 0.02 0.00 -0.47 0.00 0.00 55.73 55.68 1q4o s ARG 441 Cb -0.10 -0.08 0.01 0.00 -0.57 0.00 0.00 34.95 34.21 1q4o s ARG 441 CO 0.36 0.02 -0.13 -1.17 -1.08 0.00 0.00 175.30 173.30 1q4o s LEU 442 N -0.07 1.68 -0.12 -1.89 2.96 -0.86 0.10 118.68 120.48 1q4o s LEU 442 Ca -0.00 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1q4o s LEU 442 Cb -0.01 -0.85 -0.00 0.00 0.50 0.00 0.00 46.19 45.84 1q4o s LEU 442 CO -0.00 0.04 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.24 1q4o s ILE 443 N 0.61 2.33 -0.26 6.68 -1.09 -0.37 -1.09 121.20 128.01 1q4o s ILE 443 Ca -0.14 -0.91 -0.10 0.00 -2.23 0.00 0.00 60.65 57.27 1q4o s ILE 443 Cb -0.16 -1.93 -0.05 0.00 -1.58 0.00 0.00 42.46 38.74 1q4o s ILE 443 CO 0.04 0.54 0.17 -0.22 -1.23 0.00 0.00 174.94 174.24 1q4o s LEU 444 N 0.53 4.01 0.97 2.97 2.96 0.21 -1.21 118.68 129.12 1q4o s LEU 444 Ca -0.13 0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.69 1q4o s LEU 444 Cb -0.17 -2.10 0.17 0.00 0.50 0.00 0.00 46.19 44.60 1q4o s LEU 444 CO 0.04 0.00 1.09 -0.31 -1.32 0.00 0.00 176.35 175.85 1q4o s TYR 445 N 1.45 2.10 -0.93 5.38 1.51 0.03 -0.62 117.35 126.27 1q4o s TYR 445 Ca 0.07 1.15 0.18 0.00 -1.01 0.00 0.00 57.07 57.46 1q4o s TYR 445 Cb -0.15 -3.20 0.75 0.00 -0.11 0.00 0.00 41.96 39.25 1q4o s TYR 445 CO 0.08 -2.78 1.56 0.27 -1.11 0.00 0.00 175.55 173.57 1q4o n ASN 446 N -4.13 0.10 0.00 2.29 0.23 -1.26 -1.19 115.26 111.29 1q4o n ASN 446 Ca 0.06 0.52 0.10 0.00 -0.53 0.00 0.00 54.58 54.73 1q4o n ASN 446 Cb 0.56 -0.54 0.52 0.00 -2.08 0.00 0.00 39.78 38.24 1q4o n ASN 446 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1q4o n ASP 447 N -1.60 0.00 0.00 0.53 5.75 -1.26 -4.86 116.55 115.10 1q4o n ASP 447 Ca 0.04 -0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.65 1q4o n ASP 447 Cb 0.21 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1q4o n ASP 447 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q4o n GLY 448 N 0.35 0.65 0.00 6.12 0.00 -0.33 -4.70 105.19 107.27 1q4o n GLY 448 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1q4o n GLY 448 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q4o n ASP 449 N -0.04 0.32 -4.75 1.61 2.03 -1.26 -4.93 116.55 109.54 1q4o n ASP 449 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 1q4o n ASP 449 Cb 0.02 0.02 -0.05 0.00 -0.72 0.00 0.00 41.12 40.39 1q4o n ASP 449 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1q4o s SER 450 N -1.92 7.47 0.02 1.67 0.01 -1.26 -1.42 113.70 118.28 1q4o s SER 450 Ca 0.00 2.01 0.08 0.00 1.31 0.00 0.00 55.95 59.36 1q4o s SER 450 Cb 0.00 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1q4o s SER 450 CO 0.00 -0.01 -0.25 -0.76 0.41 0.00 0.00 173.24 172.63 1q4o s LEU 451 N -0.87 2.21 -0.12 2.44 1.43 0.22 -0.79 118.68 123.19 1q4o s LEU 451 Ca 0.44 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1q4o s LEU 451 Cb -0.27 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1q4o s LEU 451 CO 0.34 0.28 -0.17 -1.58 0.23 0.00 0.00 176.35 175.45 1q4o s GLN 452 N -1.06 2.49 -0.18 1.70 0.74 -0.35 -1.09 119.66 121.92 1q4o s GLN 452 Ca 0.12 -0.66 -0.04 0.00 0.05 0.00 0.00 55.36 54.82 1q4o s GLN 452 Cb -0.10 -2.09 -0.02 0.00 1.10 0.00 0.00 33.01 31.89 1q4o s GLN 452 CO 0.01 -0.06 -0.02 -0.47 -0.55 0.00 0.00 175.29 174.20 1q4o s TYR 453 N 0.98 3.03 -0.19 1.67 5.04 0.62 -1.24 117.35 127.25 1q4o s TYR 453 Ca -0.06 -0.41 -0.02 0.00 -2.44 0.00 0.00 57.07 54.15 1q4o s TYR 453 Cb -0.15 -2.02 -0.00 0.00 0.35 0.00 0.00 41.96 40.13 1q4o s TYR 453 CO -0.03 -0.16 -0.10 0.42 -1.34 0.00 0.00 175.55 174.34 1q4o s ILE 454 N 0.71 2.99 0.48 3.14 1.01 0.11 -1.98 121.20 127.66 1q4o s ILE 454 Ca -0.01 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.94 1q4o s ILE 454 Cb -0.14 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1q4o s ILE 454 CO 0.02 0.48 0.80 -1.61 0.00 0.00 0.00 174.94 174.63 1q4o s GLU 455 N 1.14 3.58 0.33 2.79 2.02 0.11 -1.25 118.70 127.43 1q4o s GLU 455 Ca 0.01 0.28 0.16 0.00 0.02 0.00 0.00 54.97 55.44 1q4o s GLU 455 Cb -0.14 -2.36 1.15 0.00 0.10 0.00 0.00 34.13 32.88 1q4o s GLU 455 CO -0.03 -0.20 1.48 0.54 0.02 0.00 0.00 175.26 177.06 1q4o n ARG 456 N -2.13 -0.06 -0.14 1.61 1.74 -1.25 -0.81 116.66 115.61 1q4o n ARG 456 Ca 0.01 1.31 0.01 0.00 -0.77 0.00 0.00 57.85 58.42 1q4o n ARG 456 Cb 0.55 -2.30 0.07 0.00 -1.02 0.00 0.00 32.46 29.75 1q4o n ARG 456 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1q4o n ASP 457 N -5.17 1.60 0.00 0.55 5.75 -1.26 -4.85 116.55 113.17 1q4o n ASP 457 Ca 0.33 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1q4o n ASP 457 Cb 1.11 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 1q4o n ASP 457 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q4o n GLY 458 N 0.22 0.67 3.71 6.12 0.00 0.01 -5.00 105.19 110.92 1q4o n GLY 458 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1q4o n GLY 458 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q4o s THR 459 N -2.92 3.33 0.10 2.61 2.01 -1.24 -4.73 115.64 114.80 1q4o s THR 459 Ca 0.00 0.91 0.09 0.00 0.31 0.00 0.00 61.69 63.00 1q4o s THR 459 Cb 0.00 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1q4o s THR 459 CO 0.00 0.05 -0.19 -1.61 -0.69 0.00 0.00 174.62 172.18 1q4o s GLU 460 N 1.48 1.82 0.00 4.92 2.02 -1.26 -0.71 118.70 126.98 1q4o s GLU 460 Ca 0.65 -1.15 -0.13 0.00 0.02 0.00 0.00 54.97 54.37 1q4o s GLU 460 Cb -0.36 -2.11 0.02 0.00 0.10 0.00 0.00 34.13 31.77 1q4o s GLU 460 CO 0.30 0.49 0.27 -1.54 0.02 0.00 0.00 175.26 174.80 1q4o s SER 461 N -1.96 -0.12 -0.05 -0.19 1.04 -0.84 -4.99 113.70 106.58 1q4o s SER 461 Ca 0.17 -0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.59 1q4o s SER 461 Cb -0.10 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 1q4o s SER 461 CO 0.09 -0.48 -0.21 -0.31 0.98 0.00 0.00 173.24 173.31 1q4o s TYR 462 N -1.68 2.52 0.29 5.02 1.51 -1.26 -0.28 117.35 123.47 1q4o s TYR 462 Ca -0.11 -0.51 -0.04 0.00 -1.01 0.00 0.00 57.07 55.40 1q4o s TYR 462 Cb -0.04 -1.61 -0.01 0.00 -0.11 0.00 0.00 41.96 40.19 1q4o s TYR 462 CO 0.02 -0.08 0.39 -0.51 -1.11 0.00 0.00 175.55 174.26 1q4o s LEU 463 N -0.35 0.95 0.05 -1.29 1.02 -0.25 -4.98 118.68 113.84 1q4o s LEU 463 Ca 0.02 -1.37 0.06 0.00 0.02 0.00 0.00 54.13 52.87 1q4o s LEU 463 Cb -0.12 1.23 -0.02 0.00 0.02 0.00 0.00 46.19 47.29 1q4o s LEU 463 CO 0.02 -1.15 -0.16 0.42 0.02 0.00 0.00 176.35 175.50 1q4o s THR 464 N -3.54 1.30 0.31 5.49 -4.23 -1.26 0.70 115.64 114.41 1q4o s THR 464 Ca 0.31 -1.14 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1q4o s THR 464 Cb 0.01 -1.17 0.29 0.00 1.34 0.00 0.00 72.50 72.96 1q4o s THR 464 CO 0.17 0.01 1.91 0.58 -0.54 0.00 0.00 174.62 176.75 1q4o h VAL 465 N 4.40 1.03 -0.12 2.29 2.07 -1.59 -2.99 116.25 121.33 1q4o h VAL 465 Ca -0.40 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 1q4o h VAL 465 Cb 1.18 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1q4o h VAL 465 CO 0.43 0.17 -0.32 0.77 0.02 0.00 0.00 177.57 178.64 1q4o h SER 466 N 0.95 0.24 0.64 0.57 4.64 -1.95 -1.05 113.55 117.59 1q4o h SER 466 Ca 0.39 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1q4o h SER 466 Cb 0.28 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1q4o h SER 466 CO -0.15 0.56 0.00 -1.54 -0.87 0.00 0.00 176.83 174.82 1q4o n SER 467 N -4.10 0.51 -3.63 4.97 3.41 -1.13 -4.95 113.62 108.70 1q4o n SER 467 Ca -0.01 0.63 -0.25 0.00 -0.26 0.00 0.00 58.87 58.98 1q4o n SER 467 Cb 0.41 -0.74 0.01 0.00 -0.26 0.00 0.00 64.21 63.63 1q4o n SER 467 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1q4o n HIS 468 N -2.07 -2.34 -1.70 7.33 -0.00 -0.40 -4.86 115.22 111.18 1q4o n HIS 468 Ca 0.02 0.96 -0.43 0.00 -0.00 0.00 0.00 57.72 58.27 1q4o n HIS 468 Cb 0.21 -2.70 -0.02 0.00 -0.00 0.00 0.00 29.99 27.48 1q4o n HIS 468 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1q4o n PRO 469 N -1.88 2.27 0.16 -0.41 -0.02 -1.26 -4.89 135.00 128.96 1q4o n PRO 469 Ca -0.22 0.80 0.04 0.00 -2.02 0.00 0.00 63.50 62.10 1q4o n PRO 469 Cb 0.67 -2.48 0.14 0.00 -0.02 0.00 0.00 33.50 31.81 1q4o n PRO 469 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1q4o h ASN 470 N 3.86 0.00 1.13 2.55 2.35 -2.00 -3.12 115.58 120.36 1q4o h ASN 470 Ca -0.46 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.11 1q4o h ASN 470 Cb 1.26 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.61 1q4o h ASN 470 CO 0.73 0.46 -0.86 0.77 -1.65 0.00 0.00 177.43 176.87 1q4o h SER 471 N 0.00 0.00 -0.24 5.81 4.64 -2.02 -3.37 113.55 118.38 1q4o h SER 471 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q4o h SER 471 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1q4o h SER 471 CO 0.06 0.86 0.00 0.18 -0.87 0.00 0.00 176.83 177.06 1q4o n LEU 472 N -3.32 3.48 -0.05 5.97 4.77 -1.18 -4.71 117.00 121.95 1q4o n LEU 472 Ca 0.01 -2.82 -0.10 0.00 -0.03 0.00 0.00 56.01 53.07 1q4o n LEU 472 Cb 0.88 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1q4o n LEU 472 CO 0.45 0.68 0.95 -0.03 -1.33 0.00 0.00 177.39 178.11 1q4o h MET 473 N 1.57 0.26 -0.33 3.23 4.05 -1.71 -0.16 114.93 121.83 1q4o h MET 473 Ca 0.00 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1q4o h MET 473 Cb 1.24 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.96 1q4o h MET 473 CO 0.15 0.17 0.13 -0.22 0.23 0.00 0.00 176.91 177.38 1q4o h LYS 474 N 0.27 0.50 -0.62 0.39 3.64 -1.92 -1.07 116.57 117.76 1q4o h LYS 474 Ca 0.08 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1q4o h LYS 474 Cb -0.01 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1q4o h LYS 474 CO -0.04 0.50 0.09 0.87 -2.27 0.00 0.00 179.45 178.61 1q4o h LYS 475 N 0.39 1.02 -0.66 1.90 1.57 -1.83 -1.72 116.57 117.25 1q4o h LYS 475 Ca 0.11 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1q4o h LYS 475 Cb 0.19 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1q4o h LYS 475 CO -0.01 0.94 0.20 0.82 -0.57 0.00 0.00 179.45 180.83 1q4o h ILE 476 N 0.96 1.25 -0.69 1.86 2.04 -0.81 -2.13 117.51 119.98 1q4o h ILE 476 Ca 0.19 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1q4o h ILE 476 Cb 0.42 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1q4o h ILE 476 CO 0.01 0.33 0.28 0.74 0.00 0.00 0.00 178.15 179.51 1q4o h THR 477 N 0.97 1.24 -0.30 -0.27 2.02 -0.72 -0.08 112.91 115.79 1q4o h THR 477 Ca 0.21 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 1q4o h THR 477 Cb 0.29 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1q4o h THR 477 CO -0.01 0.31 0.07 -0.07 0.37 0.00 0.00 175.52 176.19 1q4o h LEU 478 N 0.99 0.46 0.05 2.58 3.38 -1.17 0.53 115.31 122.12 1q4o h LEU 478 Ca 0.23 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1q4o h LEU 478 Cb 0.21 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1q4o h LEU 478 CO -0.02 0.57 -0.02 0.25 0.09 0.00 0.00 178.44 179.31 1q4o h LEU 479 N 0.32 -0.06 -0.85 1.67 5.85 -1.04 0.16 115.31 121.36 1q4o h LEU 479 Ca 0.09 -0.09 0.18 0.00 0.84 0.00 0.00 57.88 58.90 1q4o h LEU 479 Cb 0.30 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.24 1q4o h LEU 479 CO 0.00 0.05 0.38 0.11 -0.34 0.00 0.00 178.44 178.64 1q4o h LYS 480 N -0.16 0.47 -0.05 1.25 1.57 -0.93 0.38 116.57 119.10 1q4o h LYS 480 Ca -0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1q4o h LYS 480 Cb 0.14 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1q4o h LYS 480 CO 0.01 0.31 0.02 -0.92 -0.57 0.00 0.00 179.45 178.31 1q4o h TYR 481 N 0.48 0.07 -0.57 -1.35 3.20 0.24 -0.33 116.97 118.71 1q4o h TYR 481 Ca 0.49 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.42 1q4o h TYR 481 Cb 0.82 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 1q4o h TYR 481 CO -0.13 0.15 0.28 0.74 -1.64 0.00 0.00 178.16 177.55 1q4o h PHE 482 N -0.04 0.50 -0.58 -3.82 0.05 0.19 -0.37 116.94 112.87 1q4o h PHE 482 Ca 0.02 0.02 -0.09 0.00 3.82 0.00 0.00 57.97 61.74 1q4o h PHE 482 Cb 0.11 -0.14 -0.02 0.00 2.00 0.00 0.00 35.95 37.90 1q4o h PHE 482 CO -0.04 0.22 0.00 -0.09 -0.18 0.00 0.00 178.31 178.22 1q4o h ARG 483 N 0.52 1.03 -0.13 1.51 2.43 0.04 -0.86 114.38 118.92 1q4o h ARG 483 Ca 0.26 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1q4o h ARG 483 Cb 0.21 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1q4o h ARG 483 CO -0.20 1.01 0.04 -0.91 -1.51 0.00 0.00 179.97 178.41 1q4o h ASN 484 N 0.92 0.19 -0.98 -3.80 4.21 -0.61 -1.09 115.58 114.42 1q4o h ASN 484 Ca 0.16 -0.19 0.02 0.00 1.21 0.00 0.00 56.30 57.50 1q4o h ASN 484 Cb 0.55 -0.05 -0.05 0.00 -1.12 0.00 0.00 38.32 37.65 1q4o h ASN 484 CO 0.03 0.33 0.65 0.22 -1.29 0.00 0.00 177.43 177.37 1q4o h TYR 485 N 0.04 1.22 -0.34 1.19 3.20 -0.94 -1.25 116.97 120.10 1q4o h TYR 485 Ca 0.04 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1q4o h TYR 485 Cb 0.21 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1q4o h TYR 485 CO -0.01 0.74 0.09 0.52 -1.64 0.00 0.00 178.16 177.86 1q4o h MET 486 N 1.29 0.53 -0.48 1.82 2.86 -0.99 0.20 114.93 120.16 1q4o h MET 486 Ca 0.37 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 1q4o h MET 486 Cb -0.09 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 1q4o h MET 486 CO -0.10 0.58 0.24 0.77 1.06 0.00 0.00 176.91 179.47 1q4o h SER 487 N 0.39 0.63 0.44 1.22 0.02 -0.63 -2.61 113.55 113.01 1q4o h SER 487 Ca 0.11 -0.12 -0.24 0.00 -0.84 0.00 0.00 61.79 60.70 1q4o h SER 487 Cb 0.28 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1q4o h SER 487 CO -0.00 0.57 -1.03 -0.33 -1.14 0.00 0.00 176.83 174.90 1q4o h GLU 488 N 0.64 0.36 0.00 3.45 5.08 -1.14 -3.40 114.58 119.56 1q4o h GLU 488 Ca 0.17 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1q4o h GLU 488 Cb 0.10 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1q4o h GLU 488 CO -0.02 1.13 0.00 0.72 -1.00 0.00 0.00 179.01 179.84 1q4o n HIS 489 N -3.68 0.00 -4.10 4.33 8.25 0.69 -5.03 115.22 115.68 1q4o n HIS 489 Ca -0.07 -0.13 -0.15 0.00 -0.26 0.00 0.00 57.72 57.11 1q4o n HIS 489 Cb 0.89 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.87 1q4o n HIS 489 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1q4o s LEU 490 N -0.27 2.25 -0.11 2.41 1.43 -0.98 -4.99 118.68 118.42 1q4o s LEU 490 Ca 0.00 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.50 1q4o s LEU 490 Cb 0.00 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.92 1q4o s LEU 490 CO 0.00 -0.15 0.13 -0.76 0.23 0.00 0.00 176.35 175.80 1q4o s LEU 491 N -1.54 4.31 0.13 1.79 1.43 -1.26 -4.72 118.68 118.83 1q4o s LEU 491 Ca -0.07 0.43 -0.35 0.00 -1.03 0.00 0.00 54.13 53.11 1q4o s LEU 491 Cb -0.10 -2.10 -0.15 0.00 0.03 0.00 0.00 46.19 43.87 1q4o s LEU 491 CO 0.01 0.39 1.47 0.29 0.23 0.00 0.00 176.35 178.74 1q4o n LYS 492 N 1.89 1.72 0.00 1.70 5.02 -1.26 -4.73 118.16 122.50 1q4o n LYS 492 Ca -0.19 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1q4o n LYS 492 Cb 0.55 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1q4o n LYS 492 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q4o n ALA 493 N 2.97 0.00 -2.51 7.82 0.00 -0.83 -5.05 120.51 122.90 1q4o n ALA 493 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 1q4o n ALA 493 Cb 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.55 1q4o n ALA 493 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q4o s LEU 508 N 0.00 2.06 0.55 0.00 1.02 -1.26 -4.54 118.68 116.51 1q4o s LEU 508 Ca 0.00 -0.34 -0.14 0.00 0.02 0.00 0.00 54.13 53.67 1q4o s LEU 508 Cb 0.00 -0.87 -0.06 0.00 0.02 0.00 0.00 46.19 45.28 1q4o s LEU 508 CO 0.00 0.19 0.99 -2.16 0.02 0.00 0.00 176.35 175.39 1q4o s PRO 509 N -0.54 3.79 0.30 1.29 0.04 -1.26 -5.02 135.00 133.60 1q4o s PRO 509 Ca 0.06 0.83 0.03 0.00 0.04 0.00 0.00 61.00 61.97 1q4o s PRO 509 Cb -0.07 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 1q4o s PRO 509 CO -0.00 -0.39 0.05 1.52 0.04 0.00 0.00 177.00 178.22 1q4o s TYR 510 N -2.85 1.86 -0.37 0.56 -0.85 -1.26 -4.89 117.35 109.55 1q4o s TYR 510 Ca 0.57 -0.98 -0.29 0.00 -0.52 0.00 0.00 57.07 55.85 1q4o s TYR 510 Cb -0.10 -1.18 0.00 0.00 0.38 0.00 0.00 41.96 41.06 1q4o s TYR 510 CO 0.41 -0.04 1.44 -1.17 -1.52 0.00 0.00 175.55 174.68 1q4o s LEU 511 N -3.44 3.65 -0.00 -3.49 2.96 -1.26 -0.03 118.68 117.06 1q4o s LEU 511 Ca 0.36 0.99 -0.17 0.00 -0.22 0.00 0.00 54.13 55.09 1q4o s LEU 511 Cb 0.08 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.14 1q4o s LEU 511 CO 0.14 -1.39 0.87 0.03 -1.32 0.00 0.00 176.35 174.69 1q4o h ARG 512 N 10.67 -0.59 -4.58 1.98 2.47 -1.07 -3.47 114.38 119.79 1q4o h ARG 512 Ca -0.28 0.04 -0.24 0.00 -1.26 0.00 0.00 59.98 58.24 1q4o h ARG 512 Cb 1.11 0.13 -0.15 0.00 -1.65 0.00 0.00 29.97 29.42 1q4o h ARG 512 CO 1.07 -0.39 -0.62 0.95 0.56 0.00 0.00 179.97 181.53 1q4o s THR 513 N -3.73 0.00 -0.01 2.04 -4.23 -1.14 -5.03 115.64 103.55 1q4o s THR 513 Ca -0.09 -1.99 -0.28 0.00 -1.18 0.00 0.00 61.69 58.14 1q4o s THR 513 Cb 0.01 -2.48 0.09 0.00 1.34 0.00 0.00 72.50 71.45 1q4o s THR 513 CO 0.27 -0.02 0.76 -1.66 -0.54 0.00 0.00 174.62 173.43 1q4o s TRP 514 N -4.16 -0.51 0.37 3.99 1.48 -1.26 -1.18 118.94 117.68 1q4o s TRP 514 Ca 0.38 0.65 -0.09 0.00 -1.06 0.00 0.00 56.10 55.99 1q4o s TRP 514 Cb 0.07 0.48 0.03 0.00 -1.16 0.00 0.00 33.47 32.89 1q4o s TRP 514 CO 0.12 -0.61 0.64 -0.59 -4.06 0.00 0.00 176.95 172.45 1q4o s PHE 515 N -2.21 0.62 -0.01 1.66 -0.71 -0.63 -4.99 117.98 111.71 1q4o s PHE 515 Ca -0.03 -1.08 0.01 0.00 -1.04 0.00 0.00 56.93 54.79 1q4o s PHE 515 Cb -0.01 0.39 0.00 0.00 -1.21 0.00 0.00 43.02 42.19 1q4o s PHE 515 CO -0.01 -1.38 -0.04 0.50 -1.34 0.00 0.00 175.22 172.95 1q4o s ARG 516 N -2.57 0.34 0.00 1.99 3.52 -1.26 -1.11 118.95 119.86 1q4o s ARG 516 Ca 0.23 -0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.71 1q4o s ARG 516 Cb -0.03 -0.35 0.00 0.00 -1.56 0.00 0.00 34.95 33.01 1q4o s ARG 516 CO 0.16 0.06 0.00 0.25 -0.81 0.00 0.00 175.30 174.96 1q4o n THR 517 N 3.15 0.00 0.00 4.11 -2.24 0.26 -5.01 114.28 114.55 1q4o n THR 517 Ca -0.15 0.46 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1q4o n THR 517 Cb 0.57 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 1q4o n THR 517 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1q4o n ARG 518 N -2.41 0.00 0.12 -0.78 -4.01 -1.26 -4.90 116.66 103.42 1q4o n ARG 518 Ca 0.00 0.00 -0.20 0.00 -1.04 0.00 0.00 57.85 56.61 1q4o n ARG 518 Cb 0.00 0.00 -0.14 0.00 -3.04 0.00 0.00 32.46 29.28 1q4o n ARG 518 CO 0.00 0.00 0.00 0.77 -3.04 0.00 0.00 177.63 175.36 1q4o h SER 519 N 0.00 0.63 -5.32 2.89 0.02 -1.96 -3.46 113.55 106.35 1q4o h SER 519 Ca 0.00 -0.66 -0.12 0.00 -0.84 0.00 0.00 61.79 60.17 1q4o h SER 519 Cb 0.00 -0.20 -0.13 0.00 0.14 0.00 0.00 62.40 62.21 1q4o h SER 519 CO 0.00 1.51 -0.36 0.00 -1.14 0.00 0.00 176.83 176.84 1q4o s ALA 520 N -2.69 0.19 -0.06 3.77 0.00 -1.26 -0.97 121.76 120.75 1q4o s ALA 520 Ca -0.06 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.89 1q4o s ALA 520 Cb 0.06 0.96 -0.02 0.00 0.00 0.00 0.00 23.12 24.11 1q4o s ALA 520 CO 0.91 -0.66 -0.14 -1.50 0.00 0.00 0.00 175.76 174.37 1q4o s ILE 521 N -4.01 3.04 -0.13 0.00 2.07 -0.51 -0.58 121.20 121.08 1q4o s ILE 521 Ca 0.21 -0.73 0.02 0.00 -1.41 0.00 0.00 60.65 58.75 1q4o s ILE 521 Cb 0.04 -2.19 0.00 0.00 0.13 0.00 0.00 42.46 40.43 1q4o s ILE 521 CO 0.03 0.59 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.81 1q4o s ILE 522 N -0.63 2.26 -0.20 2.00 1.09 -0.26 -1.43 121.20 124.03 1q4o s ILE 522 Ca 0.09 -0.92 -0.01 0.00 -1.10 0.00 0.00 60.65 58.71 1q4o s ILE 522 Cb -0.11 -1.91 0.06 0.00 -1.06 0.00 0.00 42.46 39.44 1q4o s ILE 522 CO 0.01 0.54 -0.02 -0.76 -0.10 0.00 0.00 174.94 174.61 1q4o s LEU 523 N 0.67 1.88 -0.30 2.97 1.43 0.08 -1.60 118.68 123.81 1q4o s LEU 523 Ca -0.10 -0.94 -0.10 0.00 -1.03 0.00 0.00 54.13 51.97 1q4o s LEU 523 Cb -0.16 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 1q4o s LEU 523 CO 0.02 -0.25 0.15 -2.28 0.23 0.00 0.00 176.35 174.22 1q4o s HIS 524 N 1.61 3.18 0.61 0.29 2.46 -0.32 -0.21 115.29 122.90 1q4o s HIS 524 Ca -0.03 -0.47 -0.05 0.00 0.47 0.00 0.00 55.06 54.98 1q4o s HIS 524 Cb -0.17 -2.35 0.02 0.00 -0.13 0.00 0.00 32.58 29.94 1q4o s HIS 524 CO -0.07 -0.41 0.91 -0.51 -2.47 0.00 0.00 174.74 172.18 1q4o s LEU 525 N 1.63 3.16 0.32 8.88 1.43 0.25 -0.55 118.68 133.80 1q4o s LEU 525 Ca 0.05 0.58 0.16 0.00 -1.03 0.00 0.00 54.13 53.89 1q4o s LEU 525 Cb -0.17 -3.38 0.44 0.00 0.03 0.00 0.00 46.19 43.12 1q4o s LEU 525 CO 0.07 -1.17 1.62 0.77 0.23 0.00 0.00 176.35 177.87 1q4o h SER 526 N -0.22 0.00 0.00 2.29 4.64 -0.75 -2.45 113.55 117.06 1q4o h SER 526 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1q4o h SER 526 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1q4o h SER 526 CO 0.60 0.50 0.00 -0.46 -0.87 0.00 0.00 176.83 176.60 1q4o n ASN 527 N -3.52 0.13 0.00 4.97 6.94 -1.26 -4.89 115.26 117.62 1q4o n ASN 527 Ca -0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 54.58 52.98 1q4o n ASN 527 Cb 0.60 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 1q4o n ASN 527 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1q4o n GLY 528 N 0.26 2.60 3.80 4.83 0.00 -0.92 -4.93 105.19 110.84 1q4o n GLY 528 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1q4o n GLY 528 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q4o s SER 529 N -2.03 6.18 -0.03 1.61 1.04 -1.26 -4.59 113.70 114.62 1q4o s SER 529 Ca 0.00 1.84 0.03 0.00 0.48 0.00 0.00 55.95 58.30 1q4o s SER 529 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1q4o s SER 529 CO 0.00 -0.89 -0.12 0.68 0.98 0.00 0.00 173.24 173.89 1q4o s VAL 530 N -2.23 1.01 -0.11 5.02 -7.23 -0.50 -0.59 120.40 115.77 1q4o s VAL 530 Ca 0.65 -0.49 -0.01 0.00 -1.81 0.00 0.00 61.98 60.32 1q4o s VAL 530 Cb -0.15 -0.89 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 1q4o s VAL 530 CO 0.27 0.30 -0.06 -1.58 -0.31 0.00 0.00 175.10 173.73 1q4o s GLN 531 N 0.14 3.21 -0.26 4.82 0.74 0.71 0.08 119.66 129.10 1q4o s GLN 531 Ca -0.03 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 54.84 1q4o s GLN 531 Cb -0.10 -2.74 0.05 0.00 1.10 0.00 0.00 33.01 31.33 1q4o s GLN 531 CO 0.01 0.44 -0.08 0.42 -0.55 0.00 0.00 175.29 175.53 1q4o s ILE 532 N -0.20 2.51 -0.24 -2.34 1.01 0.29 -0.74 121.20 121.49 1q4o s ILE 532 Ca 0.03 -1.41 -0.11 0.00 0.00 0.00 0.00 60.65 59.15 1q4o s ILE 532 Cb -0.13 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 1q4o s ILE 532 CO 0.03 0.03 0.19 0.20 0.00 0.00 0.00 174.94 175.39 1q4o s ASN 533 N 1.19 6.15 -0.24 3.58 0.02 -0.51 -1.12 114.94 124.00 1q4o s ASN 533 Ca -0.05 0.15 -0.16 0.00 -1.02 0.00 0.00 52.86 51.78 1q4o s ASN 533 Cb -0.19 -2.12 -0.04 0.00 0.02 0.00 0.00 41.25 38.92 1q4o s ASN 533 CO -0.04 0.03 0.42 -0.36 0.02 0.00 0.00 177.10 177.17 1q4o s PHE 534 N 1.17 3.30 0.12 2.20 0.40 0.70 -1.42 117.98 124.44 1q4o s PHE 534 Ca 0.09 0.55 -0.18 0.00 -0.60 0.00 0.00 56.93 56.79 1q4o s PHE 534 Cb -0.14 -2.59 -0.04 0.00 0.51 0.00 0.00 43.02 40.76 1q4o s PHE 534 CO 0.06 -0.16 1.69 0.74 0.70 0.00 0.00 175.22 178.25 1q4o h PHE 535 N 7.82 0.43 0.94 0.36 0.05 -1.36 -1.48 116.94 123.71 1q4o h PHE 535 Ca -0.33 -0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.40 1q4o h PHE 535 Cb 1.16 -0.13 0.01 0.00 2.00 0.00 0.00 35.95 38.98 1q4o h PHE 535 CO 0.73 0.39 -0.49 1.96 -0.18 0.00 0.00 178.31 180.72 1q4o h GLN 536 N 0.34 -1.26 0.00 1.51 4.20 -1.92 -3.15 115.11 114.83 1q4o h GLN 536 Ca 0.10 0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1q4o h GLN 536 Cb 0.13 0.29 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1q4o h GLN 536 CO -0.01 -0.84 0.00 -0.44 -0.67 0.00 0.00 178.83 176.86 1q4o h ASP 537 N -1.31 0.00 -0.95 1.46 3.32 -1.94 -3.46 116.42 113.54 1q4o h ASP 537 Ca -0.13 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.51 1q4o h ASP 537 Cb 1.02 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.41 1q4o h ASP 537 CO 0.19 0.00 -0.37 1.41 -1.72 0.00 0.00 179.24 178.75 1q4o n HIS 538 N -2.73 0.00 -3.25 4.55 8.25 -0.56 -4.59 115.22 116.88 1q4o n HIS 538 Ca 0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.15 1q4o n HIS 538 Cb 0.45 -3.39 -0.06 0.00 1.12 0.00 0.00 29.99 28.11 1q4o n HIS 538 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1q4o s THR 539 N -2.71 4.74 0.11 1.59 -4.23 -1.19 -4.80 115.64 109.15 1q4o s THR 539 Ca 0.00 1.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.57 1q4o s THR 539 Cb 0.00 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 1q4o s THR 539 CO 0.00 0.21 -0.14 -0.54 -0.54 0.00 0.00 174.62 173.61 1q4o s LYS 540 N -2.01 0.98 -0.07 3.99 1.02 -1.10 -0.21 119.74 122.34 1q4o s LYS 540 Ca 0.40 -1.18 0.03 0.00 0.02 0.00 0.00 55.97 55.24 1q4o s LYS 540 Cb -0.15 -0.89 0.01 0.00 -0.52 0.00 0.00 37.83 36.27 1q4o s LYS 540 CO 0.20 0.17 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.13 1q4o s LEU 541 N -2.31 1.81 -0.26 3.17 1.02 -0.28 0.09 118.68 121.92 1q4o s LEU 541 Ca 0.07 -0.37 -0.02 0.00 0.02 0.00 0.00 54.13 53.83 1q4o s LEU 541 Cb -0.06 -0.98 0.03 0.00 0.02 0.00 0.00 46.19 45.20 1q4o s LEU 541 CO 0.03 0.09 -0.05 -0.63 0.02 0.00 0.00 176.35 175.81 1q4o s ILE 542 N 0.44 2.92 -0.36 -0.59 1.01 0.11 -0.55 121.20 124.18 1q4o s ILE 542 Ca -0.13 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.34 1q4o s ILE 542 Cb -0.15 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.82 1q4o s ILE 542 CO 0.04 0.16 0.23 -0.76 0.00 0.00 0.00 174.94 174.62 1q4o s LEU 543 N 1.32 4.68 -0.40 2.97 1.43 0.11 -0.53 118.68 128.27 1q4o s LEU 543 Ca -0.00 -0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 52.28 1q4o s LEU 543 Cb -0.17 -2.09 0.06 0.00 0.03 0.00 0.00 46.19 44.02 1q4o s LEU 543 CO -0.04 -0.33 0.23 0.00 0.23 0.00 0.00 176.35 176.44 1q4o h PRO 545 N 8.38 0.00 0.46 0.00 0.13 -1.82 0.14 132.00 139.29 1q4o h PRO 545 Ca -0.23 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1q4o h PRO 545 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1q4o h PRO 545 CO 0.72 0.00 -0.22 -0.07 -0.23 0.00 0.00 178.00 178.20 1q4o h LEU 546 N 0.00 -0.52 -0.80 1.56 3.38 -1.92 -3.12 115.31 113.90 1q4o h LEU 546 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1q4o h LEU 546 Cb 0.72 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1q4o h LEU 546 CO 0.00 -0.28 0.00 0.23 0.09 0.00 0.00 178.44 178.48 1q4o n MET 547 N -5.30 1.53 -3.88 1.13 2.81 -1.20 -4.89 117.12 107.31 1q4o n MET 547 Ca -0.11 -0.79 -0.27 0.00 -1.81 0.00 0.00 57.70 54.71 1q4o n MET 547 Cb 0.28 -1.41 0.02 0.00 -0.71 0.00 0.00 33.22 31.40 1q4o n MET 547 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1q4o n ALA 548 N -0.01 -1.59 -2.71 3.04 0.00 -0.79 -4.84 120.51 113.61 1q4o n ALA 548 Ca 0.17 0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.40 1q4o n ALA 548 Cb 0.28 -3.27 -0.06 0.00 0.00 0.00 0.00 19.45 16.39 1q4o n ALA 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q4o s ALA 549 N -3.49 3.35 -0.05 0.00 0.00 -0.03 -0.89 121.76 120.64 1q4o s ALA 549 Ca 0.39 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 50.76 1q4o s ALA 549 Cb -0.20 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 21.97 1q4o s ALA 549 CO 0.84 0.25 0.12 0.54 0.00 0.00 0.00 175.76 177.51 1q4o s VAL 550 N -2.25 -0.04 -0.18 0.00 0.11 0.66 -1.60 120.40 117.09 1q4o s VAL 550 Ca 0.32 0.16 -0.03 0.00 -2.93 0.00 0.00 61.98 59.51 1q4o s VAL 550 Cb -0.07 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.56 1q4o s VAL 550 CO 0.22 0.07 -0.06 0.28 -3.33 0.00 0.00 175.10 172.27 1q4o s THR 551 N 1.01 3.44 -0.15 5.04 -1.32 0.32 -0.68 115.64 123.29 1q4o s THR 551 Ca -0.08 -0.50 -0.09 0.00 -1.21 0.00 0.00 61.69 59.81 1q4o s THR 551 Cb -0.10 -2.52 -0.05 0.00 -1.51 0.00 0.00 72.50 68.32 1q4o s THR 551 CO -0.05 0.47 0.16 -0.47 -2.21 0.00 0.00 174.62 172.52 1q4o s TYR 552 N 0.88 3.52 -0.23 9.09 5.04 -0.69 0.06 117.35 135.02 1q4o s TYR 552 Ca -0.01 0.47 -0.07 0.00 -2.44 0.00 0.00 57.07 55.01 1q4o s TYR 552 Cb -0.15 -2.07 -0.03 0.00 0.35 0.00 0.00 41.96 40.06 1q4o s TYR 552 CO 0.01 0.51 0.05 0.42 -1.34 0.00 0.00 175.55 175.21 1q4o s ILE 553 N -0.34 4.28 1.03 3.14 1.01 0.11 -2.43 121.20 128.00 1q4o s ILE 553 Ca 0.12 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 1q4o s ILE 553 Cb -0.12 -2.98 0.21 0.00 0.01 0.00 0.00 42.46 39.58 1q4o s ILE 553 CO 0.02 0.37 1.08 -0.62 0.00 0.00 0.00 174.94 175.78 1q4o s ASP 554 N 1.38 2.08 0.27 3.58 2.15 -0.74 -2.72 116.67 122.68 1q4o s ASP 554 Ca 0.05 1.70 -0.04 0.00 0.43 0.00 0.00 52.55 54.69 1q4o s ASP 554 Cb -0.15 -2.34 0.34 0.00 -0.30 0.00 0.00 42.92 40.47 1q4o s ASP 554 CO 0.03 -3.54 1.90 -0.33 -0.17 0.00 0.00 175.17 173.06 1q4o h GLU 555 N -2.17 1.13 0.00 4.34 5.08 -1.88 -1.79 114.58 119.29 1q4o h GLU 555 Ca -0.54 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1q4o h GLU 555 Cb 1.30 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1q4o h GLU 555 CO 0.49 0.81 0.00 1.63 -1.00 0.00 0.00 179.01 180.94 1q4o n LYS 556 N -4.36 0.75 -2.90 2.33 5.02 -1.26 -4.89 118.16 112.85 1q4o n LYS 556 Ca 0.09 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 1q4o n LYS 556 Cb 0.08 -1.43 0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1q4o n LYS 556 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1q4o n ARG 557 N -0.93 -4.25 -2.88 1.97 5.12 -0.67 -4.99 116.66 110.02 1q4o n ARG 557 Ca 0.16 0.87 -0.42 0.00 -1.93 0.00 0.00 57.85 56.53 1q4o n ARG 557 Cb 0.07 -5.60 -0.04 0.00 -1.16 0.00 0.00 32.46 25.73 1q4o n ARG 557 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1q4o s ASP 558 N -2.65 6.95 -0.01 0.55 2.15 -1.26 -4.80 116.67 117.60 1q4o s ASP 558 Ca 0.25 1.17 -0.30 0.00 0.43 0.00 0.00 52.55 54.10 1q4o s ASP 558 Cb -0.11 -2.46 -0.03 0.00 -0.30 0.00 0.00 42.92 40.02 1q4o s ASP 558 CO 0.31 -0.43 1.00 -0.36 -0.17 0.00 0.00 175.17 175.51 1q4o s PHE 559 N 2.31 3.63 -0.02 -5.34 0.40 -1.26 -1.78 117.98 115.92 1q4o s PHE 559 Ca 0.38 1.66 0.01 0.00 -0.60 0.00 0.00 56.93 58.38 1q4o s PHE 559 Cb -0.16 -3.15 0.01 0.00 0.51 0.00 0.00 43.02 40.23 1q4o s PHE 559 CO 0.11 -0.12 -0.03 1.03 0.70 0.00 0.00 175.22 176.91 1q4o s ARG 560 N 1.11 0.45 -0.10 0.44 0.52 -1.02 -5.04 118.95 115.31 1q4o s ARG 560 Ca 0.52 -0.09 0.03 0.00 -0.52 0.00 0.00 55.73 55.68 1q4o s ARG 560 Cb -0.21 -0.49 -0.01 0.00 0.52 0.00 0.00 34.95 34.76 1q4o s ARG 560 CO 0.27 -0.00 -0.22 0.99 0.02 0.00 0.00 175.30 176.36 1q4o s THR 561 N 0.41 2.29 0.05 0.02 2.01 -1.26 -1.70 115.64 117.45 1q4o s THR 561 Ca -0.04 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.06 1q4o s THR 561 Cb -0.08 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 1q4o s THR 561 CO -0.00 0.55 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.02 1q4o s TYR 562 N 0.25 1.26 -0.06 4.92 1.51 0.15 -1.01 117.35 124.37 1q4o s TYR 562 Ca -0.15 -0.39 -0.23 0.00 -1.01 0.00 0.00 57.07 55.30 1q4o s TYR 562 Cb -0.17 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 1q4o s TYR 562 CO 0.07 0.05 0.68 1.03 -1.11 0.00 0.00 175.55 176.28 1q4o s ARG 563 N -1.34 4.43 0.34 -0.62 0.52 -0.60 -0.25 118.95 121.42 1q4o s ARG 563 Ca 0.01 0.85 0.07 0.00 -0.52 0.00 0.00 55.73 56.14 1q4o s ARG 563 Cb -0.09 -3.43 0.60 0.00 0.52 0.00 0.00 34.95 32.56 1q4o s ARG 563 CO 0.02 0.11 1.82 -0.07 0.02 0.00 0.00 175.30 177.20 1q4o h LEU 564 N 6.61 0.33 -1.22 2.53 3.38 -1.34 -1.28 115.31 124.32 1q4o h LEU 564 Ca -0.41 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 1q4o h LEU 564 Cb 1.20 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1q4o h LEU 564 CO 0.75 0.54 -0.39 0.77 0.09 0.00 0.00 178.44 180.20 1q4o h SER 565 N 0.31 0.00 0.71 -0.43 4.64 -1.93 -2.53 113.55 114.32 1q4o h SER 565 Ca 0.05 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 1q4o h SER 565 Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1q4o h SER 565 CO 0.03 0.39 -0.74 -0.07 -0.87 0.00 0.00 176.83 175.58 1q4o h LEU 566 N 0.00 0.03 -1.57 5.97 3.38 -1.59 -2.93 115.31 118.60 1q4o h LEU 566 Ca -0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1q4o h LEU 566 Cb 0.70 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1q4o h LEU 566 CO 0.05 0.75 -0.22 -0.07 0.09 0.00 0.00 178.44 179.04 1q4o h LEU 567 N 0.01 0.00 -0.62 1.67 3.38 -0.97 0.23 115.31 119.01 1q4o h LEU 567 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1q4o h LEU 567 Cb 1.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 1q4o h LEU 567 CO 0.10 0.22 0.21 -0.33 0.09 0.00 0.00 178.44 178.73 1q4o h GLU 568 N 0.00 0.96 0.00 1.13 5.08 -1.29 0.23 114.58 120.69 1q4o h GLU 568 Ca -0.00 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1q4o h GLU 568 Cb 0.41 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1q4o h GLU 568 CO 0.03 0.83 -0.04 1.49 -1.00 0.00 0.00 179.01 180.33 1q4o h GLU 569 N 0.88 0.00 0.00 2.33 4.81 -1.28 -3.37 114.58 117.95 1q4o h GLU 569 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1q4o h GLU 569 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1q4o h GLU 569 CO -0.01 0.93 -0.82 1.88 -0.73 0.00 0.00 179.01 180.25 1q4o h TYR 570 N -1.00 0.00 -0.05 0.92 -1.99 -0.70 -3.49 116.97 110.65 1q4o h TYR 570 Ca -0.01 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.73 1q4o h TYR 570 Cb 0.94 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.66 1q4o h TYR 570 CO 0.25 0.00 -0.01 0.41 -0.00 0.00 0.00 178.16 178.81 1q4o n GLY 571 N 1.29 -1.61 3.71 3.88 0.00 0.07 -1.17 105.19 111.36 1q4o n GLY 571 Ca 0.02 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 1q4o n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q4o h LYS 574 N 5.64 0.02 -0.06 0.00 1.57 -1.96 0.39 116.57 122.17 1q4o h LYS 574 Ca -0.47 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.34 1q4o h LYS 574 Cb 1.32 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.58 1q4o h LYS 574 CO 0.85 0.01 -0.22 0.93 -0.57 0.00 0.00 179.45 180.45 1q4o h GLU 575 N 0.02 -0.30 -0.34 3.15 4.39 -2.01 -2.23 114.58 117.26 1q4o h GLU 575 Ca 0.61 0.02 -0.14 0.00 0.34 0.00 0.00 59.36 60.19 1q4o h GLU 575 Cb 1.27 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 1q4o h GLU 575 CO -0.90 -0.20 -0.32 1.25 -1.16 0.00 0.00 179.01 177.69 1q4o h LEU 576 N -0.31 0.88 -0.82 1.33 5.85 -0.68 -2.77 115.31 118.78 1q4o h LEU 576 Ca 0.08 -0.46 0.10 0.00 0.84 0.00 0.00 57.88 58.44 1q4o h LEU 576 Cb 0.42 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 1q4o h LEU 576 CO -0.24 1.15 0.45 0.00 -0.34 0.00 0.00 178.44 179.46 1q4o h ALA 577 N 0.75 1.17 -0.16 1.25 0.00 -0.96 -0.53 119.26 120.78 1q4o h ALA 577 Ca 0.06 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1q4o h ALA 577 Cb 0.90 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1q4o h ALA 577 CO 0.08 0.04 -0.47 0.66 0.00 0.00 0.00 179.25 179.57 1q4o h SER 578 N 0.74 0.45 -0.25 0.00 4.64 -1.21 -1.48 113.55 116.43 1q4o h SER 578 Ca 0.41 -0.21 -0.15 0.00 -0.47 0.00 0.00 61.79 61.36 1q4o h SER 578 Cb 0.42 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1q4o h SER 578 CO -0.27 0.85 -0.44 0.03 -0.87 0.00 0.00 176.83 176.12 1q4o h ARG 579 N 0.33 0.74 -0.21 4.77 3.08 -1.19 0.14 114.38 122.04 1q4o h ARG 579 Ca 0.02 -0.46 0.01 0.00 0.07 0.00 0.00 59.98 59.62 1q4o h ARG 579 Cb 0.95 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1q4o h ARG 579 CO 0.08 1.09 0.14 -0.07 -1.07 0.00 0.00 179.97 180.14 1q4o h LEU 580 N 0.47 0.21 -0.05 3.04 3.38 -0.99 1.39 115.31 122.76 1q4o h LEU 580 Ca 0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1q4o h LEU 580 Cb 1.04 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1q4o h LEU 580 CO 0.10 0.15 0.02 0.03 0.09 0.00 0.00 178.44 178.83 1q4o h ARG 581 N 0.25 0.08 -0.59 1.13 3.08 -0.71 -2.23 114.38 115.38 1q4o h ARG 581 Ca 0.08 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 1q4o h ARG 581 Cb 0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1q4o h ARG 581 CO -0.02 0.25 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.17 1q4o h TYR 582 N -0.10 1.18 -0.63 3.04 3.20 0.54 -2.61 116.97 121.58 1q4o h TYR 582 Ca 0.02 -0.22 0.13 0.00 3.14 0.00 0.00 58.73 61.80 1q4o h TYR 582 Cb 0.20 -0.30 -0.10 0.00 1.54 0.00 0.00 36.73 38.07 1q4o h TYR 582 CO -0.01 1.05 0.06 0.00 -1.64 0.00 0.00 178.16 177.63 1q4o h ALA 583 N 0.97 0.69 -0.37 1.82 0.00 0.19 -2.25 119.26 120.30 1q4o h ALA 583 Ca 0.16 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1q4o h ALA 583 Cb 0.61 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1q4o h ALA 583 CO 0.04 -0.37 0.13 -0.09 0.00 0.00 0.00 179.25 178.96 1q4o h ARG 584 N 0.17 0.57 0.00 0.00 2.43 -1.03 -0.40 114.38 116.12 1q4o h ARG 584 Ca 0.34 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1q4o h ARG 584 Cb 0.54 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1q4o h ARG 584 CO -0.49 0.57 0.00 1.79 -1.51 0.00 0.00 179.97 180.33 1q4o h THR 585 N 0.45 0.00 0.12 0.20 1.35 -1.19 -2.05 112.91 111.79 1q4o h THR 585 Ca 0.12 -0.21 -0.33 0.00 -0.55 0.00 0.00 66.41 65.44 1q4o h THR 585 Cb 0.23 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 1q4o h THR 585 CO -0.01 0.00 -1.73 -0.03 -0.25 0.00 0.00 175.52 173.51 1q4o h MET 586 N 0.00 0.26 -0.11 4.72 4.05 -0.85 -3.07 114.93 119.92 1q4o h MET 586 Ca 0.00 -0.44 -0.05 0.00 -0.28 0.00 0.00 59.70 58.94 1q4o h MET 586 Cb 0.23 0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 1q4o h MET 586 CO 0.00 1.11 -0.14 0.28 0.23 0.00 0.00 176.91 178.39 1q4o h VAL 587 N 0.07 1.17 0.31 -5.77 2.07 -0.75 -1.08 116.25 112.27 1q4o h VAL 587 Ca -0.32 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1q4o h VAL 587 Cb 2.04 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 1q4o h VAL 587 CO 0.14 0.23 -0.32 0.44 0.02 0.00 0.00 177.57 178.07 1q4o h ASP 588 N 0.17 -0.88 -0.94 0.57 3.32 -1.44 -1.91 116.42 115.31 1q4o h ASP 588 Ca 0.03 0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.23 1q4o h ASP 588 Cb 0.36 0.30 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 1q4o h ASP 588 CO 0.02 -0.45 0.61 0.11 -1.72 0.00 0.00 179.24 177.81 1q4o h LYS 589 N -0.67 1.04 -0.12 3.56 1.57 -1.26 -1.04 116.57 119.65 1q4o h LYS 589 Ca -0.01 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1q4o h LYS 589 Cb 0.61 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1q4o h LYS 589 CO -0.07 0.69 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.15 1q4o h LEU 590 N 1.07 0.21 -0.11 2.94 3.38 -1.16 -3.08 115.31 118.56 1q4o h LEU 590 Ca 0.41 -0.06 -0.24 0.00 0.09 0.00 0.00 57.88 58.08 1q4o h LEU 590 Cb 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1q4o h LEU 590 CO -0.16 0.49 -1.00 0.25 0.09 0.00 0.00 178.44 178.10 1q4o h LEU 591 N 0.19 0.51 -0.45 1.67 5.85 -0.40 -3.51 115.31 119.16 1q4o h LEU 591 Ca 0.03 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1q4o h LEU 591 Cb 0.59 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1q4o h LEU 591 CO 0.04 1.25 0.00 -1.54 -0.34 0.00 0.00 178.44 177.85